TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
    1.0201   -3.6145    0.0000 C   0  0
    1.6307   -2.2444    0.0000 S   0  0
    3.1225   -2.0885    0.0000 O   0  0
    2.5118   -3.4583    0.0000 O   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.4623    2.7009    0.0000 C   0  0
   -1.9623    2.7008    0.0000 N   0  0
   -2.4258    1.2743    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -2.8444    3.9150    0.0000 C   0  0  2  0  0  0
   -2.3400    5.3223    0.0000 C   0  0
   -3.3105    6.4661    0.0000 C   0  0  1  0  0  0
   -4.7863    6.1975    0.0000 C   0  0  2  0  0  0
   -5.2915    4.7851    0.0000 O   0  0
   -4.3210    3.6414    0.0000 C   0  0
   -5.7572    7.3418    0.0000 C   0  0
   -7.2335    7.0756    0.0000 C   0  0
   -8.2022    8.2209    0.0000 C   0  0
   -7.6947    9.6324    0.0000 C   0  0
   -6.2185    9.8987    0.0000 C   0  0
   -5.2498    8.7534    0.0000 C   0  0
   -5.7110   11.3102    0.0000 F   0  0
   -7.7410    5.6641    0.0000 F   0  0
   -2.8053    7.8784    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
 11 12  2  0
 12  5  1  0
 13  9  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 16 19  1  6
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 23 25  1  0
 20 26  1  0
 15 27  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10952

> <plate>
PLATE 001

> <well>
A2

> <supplier_cmpd_name>
Omarigliptin

> <ctcr_id>
10895

> <supplier_cmpd_id>
T2316

> <smiles>
CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@@H]([C@H](OC1)c1c(ccc(c1)F)F)N

> <pd_targets>
{DPP4,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Protease,"Voltage-gated ion channel","Serine protease","Potassium channels","Serine protease SC clan","Voltage-gated potassium channel","Serine protease S9B subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Peptidases and proteinases","Voltage-gated ion channels","SC: Serine (S) Peptidases","Potassium channels","S9: Prolyl oligopeptidase","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Metabolism of proteins","Muscle contraction","Peptide hormone metabolism","Cardiac conduction","Incretin synthesis",secretion,"and inactivation","Phase 3 - rapid repolarisation",Synthesis,"and inact
ivation of Glucagon-like Peptide-1 (GLP-1)"}

> <broad_targets>
{DPP4}

> <broad_moa>
{"dipeptidyl peptidase inhibitor"}

> <synonyms>
{OMARIGLIPTIN,1226781-44-7,1226781447,MK-3102,MK3102,UNII-CVP59Q4JE1,UNIICVP59Q4JE1,CVP59Q4JE1,"Omarigliptin (USAN:INN)","Omarigliptin (MK-3102)","Omarigliptin (MK3102)",Tube112,SCHEMBL827590,AMBZ0104
,GTPL8402,"Omarigliptin (JAN/USAN/INN)",C17H20F2N4O3S,CHEMBL2105762,DTXSID70153678,EX-A395,EXA395,CH,T2316,Omarigliptin}

> <pdid>
PD050130

> <targets>
{DPP-4,Dipeptidyl Peptidase}

> <classes>
{Proteases/Proteasome,Metabolic Enzyme/Protease}

> <pubchem_cids>
{46209133}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
  -10.3875   -1.5257    0.0000 O   0  0
  -10.3802   -3.0265    0.0000 C   0  0
  -11.6758   -3.7841    0.0000 C   0  0
  -11.6685   -5.2849    0.0000 N   0  0
  -12.9633   -6.0421    0.0000 C   0  0
  -10.3655   -6.0281    0.0000 C   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 18 25  1  0
 25 26  2  0
 26 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10953

> <plate>
PLATE 001

> <well>
A3

> <supplier_cmpd_name>
Itopride hydrochloride

> <ctcr_id>
5303

> <supplier_cmpd_id>
T1552

> <smiles>
COc1ccc(cc1OC)C(=O)NCc2ccc(OCCN(C)C)cc2

> <pd_targets>
{ACHE,LMNA,SMN1,MAPK1}

> <pathway_gtopdb>
{Enzyme,Hydrolase,"Other nuclear protein","Epigenetic regulator",Reader,Kinase,"Methyl-lysine/arginine binding protein","Protein Kinase","Tudor domain","CMGC protein kinase group","CMGC protein kinase
 MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Acetylcholine turnover","Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Phospholipid metabolism","Glycerophospholipid biosynthesis","Synthesis of PC","Cell Cycle","Metabolism of RNA","Immune System",Mitotic,"Metabolism of non-coding RNA
","Innate Immune System","M Phase","snRNP Assembly","Toll-like Receptor Cascades","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Anaphase","MyD88 cascade initiated on 
plasma membrane","Nuclear Envelope (NE) Reassembly","MAP kinase activation","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets",
"ERKs are inactivated"}

> <broad_targets>
{DRD2}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{Itopride,122898-67-3,122898673,"N-(4-(2-(Dimethylamino)ethoxy)benzyl)-3,4-dimethoxybenzamide","N(4(2(Dimethylamino)ethoxy)benzyl)3,4dimethoxybenzamide","Itopride free base",UNII-81BMQ80QRL,UNII81BMQ8
0QRL,"Itopride (INN)",Itax,"N-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-3,4-dimethoxybenzamide","N((4(2(dimethylamino)ethoxy)phenyl)methyl)3,4dimethoxybenzamide",81BMQ80QRL,n-(4-(2-(dimethylami,n(4(
2(dimethylami,T1552,Prestw-1295,"Itopride hydrochloride"}

> <pdid>
PD001662

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3792}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 33  0  0  0  0            999 V2000
   -0.7603   -8.0518    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -2.6933   -6.3162    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 S   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -2.5988   -0.0025    0.0000 O   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.5504    0.8693    0.0000 C   0  0
   -7.5563    1.9820    0.0000 C   0  0
   -6.8090    3.2826    0.0000 C   0  0
   -5.3412    2.9737    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    8.8133   -0.5100    0.0000 O   0  0
    8.8133   -2.0100    0.0000 C   0  0
    7.5133   -2.7600    0.0000 C   0  0
    6.2133   -2.0100    0.0000 C   0  0
    6.2133   -0.5100    0.0000 O   0  0
    4.9141   -2.7596    0.0000 O   0  0
   10.1133   -2.7600    0.0000 C   0  0
   10.1133   -4.2600    0.0000 O   0  0
   11.4126   -2.0104    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 17  1  0
 12 22  1  0
 22 23  2  0
 23  6  1  0
 23  9  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 25 30  1  0
 30 31  1  0
 30 32  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10954

> <plate>
PLATE 001

> <well>
A4

> <supplier_cmpd_name>
Almotriptan Malate

> <ctcr_id>
3207

> <supplier_cmpd_id>
T2317

> <smiles>
CN(C)CCc1c[nH]c2ccc(C[S](=O)(=O)N3CCCC3)cc12.OC(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Almotriptan malate",181183-52-8,181183528,"Almotriptan maleate","Almotriptan (malate)","LAS 31416 D,L-malate acid","LAS 31416 D,Lmalate acid",CHEBI:53781,PNU-180638E,PNU180638E,"181183-52-8(Almotrip
tan Malate)","181183528(Almotriptan Malate)","PNU 180638E",SR-05000001986,SR05000001986,"Axert (TN)","Almotriptan malate (USP)","Almotriptan mal",T2317,S2096,"Almotriptan Malate"}

> <pdid>

> <targets>
{"5-HT Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{123607}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -6.3104   -0.4971    0.0000 O   0  0
   -5.7003    0.8733    0.0000 C   0  0
   -4.2086    0.7165    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.9002   -5.2508    0.0000 C   0  0
   -3.0350   -5.7524    0.0000 O   0  0
   -5.2003   -5.9990    0.0000 O   0  0
   -1.2959   -5.2508    0.0000 N   0  3
   -2.1611   -5.7523    0.0000 O   0  5
    0.0042   -5.9990    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
 18 19  2  0
 19  7  1  0
 19 11  1  0
 12 20  1  0
 20 21  1  0
 20 22  2  0
 10 23  1  0
 23 24  1  0
 23 25  2  0
M  CHG  2  23   1  24  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10955

> <plate>
PLATE 001

> <well>
A5

> <supplier_cmpd_name>
Aristolochic Acid

> <ctcr_id>
2809

> <supplier_cmpd_id>
T2801

> <smiles>
COc1cccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+]([O-])=O

> <pd_targets>
{KMT2A,MEN1,MAPT,ALDH1A1,CYP3A4,LEF,RORC,ALD}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Enzyme,"Transcription factor",Reader,Oxidoreductase,"Cytochrome P450",Protease,"Nuclear receptor",Bromodomain,"Cytochrome P450 family 3","Metallo prot
ease","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3A","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 3A4","Metallo protease M34 family",
"Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Nuclear hormone receptors","CYP3 family","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Neuronal System",Metabolism,Disease,"Gene expression (Transcription)","Transmission across Chemical Synapses","Biological oxidations","Metabolism of lipids","Infectious disease","RNA Polymerase II T
ranscription","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and actio
ns of bacterial toxins","Generic Transcription Pathway","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Uptake and function of anthrax to
xins","Transcriptional regulation by RUNX3","Post NMDA receptor activation events","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","Activation of AMPK downstream of NMD
ARs","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Aristolochic acid","Aristolochic acid A","Aristolochic acid I",313-67-7,313677,Aristolochin,Tardolyt,"Aristolochic acid-I","Aristolochic acidI",ARISTOLOCHINE,"TR 1736",C17H11NO7,NSC11926,"8-Methoxy-
6-nitrophenanthro(3,4-d)(1,3)dioxole-5-carboxylic acid","8Methoxy6nitrophenanthro(3,4d)(1,3)dioxole5carboxylic acid",NSC-50413,NSC50413,UNII-9421,UNII9421,T2801,1502233,"NSC 11926
NSC 11926","Aristolochic Acid","ARISTOLOCHIC ACID"}

> <pdid>
PD011395

> <targets>
{NF-ºB}

> <classes>
{PLA2 inhibitor,NF-ºB}

> <pubchem_cids>
{2236}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    2.2703   -4.0022    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0  1  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -0.6870   -2.7320    0.0000 O   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.2584   -6.9323    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  6
 14 16  1  0
 16  5  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 21  4  1  0
 21 22  1  6
 21 23  1  0
 23  2  1  0
 23 24  1  1
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10956

> <plate>
PLATE 001

> <well>
A6

> <supplier_cmpd_name>
Betamethasone

> <ctcr_id>
2180

> <supplier_cmpd_id>
T1652

> <smiles>
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

> <pd_targets>
{PLA2G5,CYP3A4,PGR,NR1I2,NR3C1,NR3C2,FABP1,AR,PLA2G1B,TSHR,PTGS2,NR0B1,ANXA1,NOS2,ABCB11,HIF1A,GAA,RORC,DUSP6}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Auxiliary transport protein","Membrane receptor","Ion channel",Hydrolase,"Cytochrome P450","Nuclear receptor","Fatty acid binding protein family","Family A G protein-co
upled receptor",Oxidoreductase,"Other ion channel","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Nuclear 
hormone receptor subfamily 0",Annexin,"Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group I","Glycohormone receptor","Nuclear hormone
 receptor subfamily 0 group B","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone receptor subfamily
 3 group C member 1","Nuclear hormone receptor subfamily 3 group C member 2","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 0 group B member 1",Transporter
,"Primary active transporter",Phosphatase,"ATP-binding cassette","Protein Phosphatase","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F","Serine/threonine/tyrosine protein phosphatase","
Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Glycerophospholipid turnover","Cytochrome P450","Nuclear hormone receptors","Fatty acid-binding proteins","G protein-coupled receptors","Eicosanoid turnover
","L-Arginine turnover","Phospholipase A<sub>2</sub>","CYP3 family","1I. Vitamin D receptor-like receptors","Steroid hormone receptors","Glycoprotein hormone receptors",Cyclooxygenase,"0B. DAX-like re
ceptors","Nitric oxide synthases","3C. 3-Ketosteroid receptors",Transporters,"ATP-binding cassette transporter family","3.2.1.- Glycosidases","ABCB subfamily","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Gene expression (Transcription)",Disease,"Signal Transduction","Metabolism of lipids","Post-translational protein modification","RNA Polymerase II Transcription",
"Infectious disease","Signaling by GPCR","Phospholipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"Generic Transcription Pathway","Regulation of lipid metaboli
sm by PPARalpha","Leishmania infection","GPCR ligand binding","Infection with Mycobacterium tuberculosis","Glycerophospholipid biosynthesis","Biosynthesis of DHA-derived SPMs","SUMO E3 ligases SUMOyla
te target proteins","FOXO-mediated transcription","PPARA activates gene expression","Transcriptional regulation by RUNX2","Leishmania parasite growth and survival","Biosynthesis of DPA-derived SPMs","
Nuclear Receptor transcription pathway","Class A/1 (Rhodopsin-like receptors)","Response of Mtb to phagocytosis","Acyl chain remodelling of PC","Biosynthesis of maresins","SUMOylation of intracellular
 receptors","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","RUNX2 regulates bone development","Anti-inflammatory response favouring Leishmania parasite infection","Bi
osynthesis of DPAn-3 SPMs","Peptide ligand-binding receptors","Suppression of phagosomal maturation","Biosynthesis of maresin-like SPMs","RUNX2 regulates osteoblast differentiation","ADORA2B mediated 
anti-inflammatory cytokines production","Formyl peptide receptors bind formyl peptides and many other ligands","Inhibition of nitric oxide production","Cellular responses to external stimuli","Immune 
System","Cellular responses to stress","Diseases of metabolism","Innate Immune System","Metabolism of steroids","Cellular response to hypoxia","Diseases of carbohydrate metabolism","Toll-like Receptor
 Cascades","Bile acid and bile salt metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Glycogen storage diseases","Transcriptional regulation by RUNX3","Toll Like 
Receptor 5 (TLR5) Cascade","Synthesis of bile acids and bile salts","Glycogen storage disease type II (GAA)","RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma mem
brane","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ANXA1,NOS2,NR0B1,NR3C1,NR3C2}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{betamethasone,378-44-9,378449,Betadexamethasone,Flubenisolone,Betamethazone,Rinderon,Visubeta,Betacorlan,Betacortril,Betamamallet,Betametasone,Betapredol,Betasolon,Betnelan,Betsolan,Celestene,Methazo
n,Becort,Bedifos,Cidoten,beta-Methasone,betaMethasone,Desacort-,Desacort,Prestw-362,Betamethasone}

> <pdid>
PD002388

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{9782}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  8  0  0  0  0            999 V2000
   10.2999    0.3750    0.0000 Cl  0  0
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7992    0.0004    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10957

> <plate>
PLATE 001

> <well>
A7

> <supplier_cmpd_name>
ALA hydrochloride

> <ctcr_id>
4887

> <supplier_cmpd_id>
T1662

> <smiles>
Cl.NCC(=O)CCC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ALAD}

> <broad_moa>
{"oxidizing agent"}

> <synonyms>
{AKOS026750168,FT-0601317,FT0601317,5-ALA,5ALA,"5-Aminolaevulinic acid hydrochloride","5Aminolaevulinic acid hydrochloride","5-Aminolevulinic acid hydrochloride","5Aminolevulinic acid hydrochloride",5
451-09-2,5451092,"Aminolevulinic acid hydrochloride","5-Amino-4-oxopentanoic acid hydrochloride","5Amino4oxopentanoic acid hydrochloride",Levulan,"Levulan Kerastick",5-Aminolevulinic,5Aminolevulinic,T
1662,18509,1504184,"NSC 18509","ALA hydrochloride","AMINOLEVULINIC ACID HYDROCHLORIDE"}

> <pdid>
PD003147

> <targets>
{}

> <classes>
{antineoplastic,"Photosensitizing Agents"}

> <pubchem_cids>
{71773380,9815326,123608}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  1  0            999 V2000
    7.6943   -1.1285    0.0000 Na  0  3
    1.2948   -3.7516    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 I   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 O   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -5.1851   -3.0091    0.0000 I   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 I   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  5
    3.8912   -5.2570    0.0000 O   0  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
  9 19  1  0
 19 20  1  0
 19 21  2  0
 21  5  1  0
  3 22  1  0
 22 23  1  0
 22 24  2  0
M  CHG  2   1   1  23  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10958

> <plate>
PLATE 001

> <well>
A8

> <supplier_cmpd_name>
Liothyronine sodium

> <ctcr_id>
7331

> <supplier_cmpd_id>
T1669

> <smiles>
[Na+].N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"LIOTHYRONINE SODIUM",55-06-1,55061,Cytomel,Triostat,"3,3',5-Triiodo-L-thyronine sodium salt","3,3',5TriiodoLthyronine sodium salt",Tertroxin,"Liothyronin sodium","Triiodothyronine sodium","Liothyron
ine sodium salt","L-Triiodothyronine sodium salt","LTriiodothyronine sodium salt","3,3',5-Triiodo-L-thyronine sodium","3,3',5TriiodoLthyronine sodium",3,3',5-,5,S4217,"Liothyronine Sodium"}

> <pdid>

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{24812736,23666110}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 43  0  0  1  0            999 V2000
    6.3990   -6.3774    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -5.1961   -7.5000    0.0000 C   0  0  2  0  0  0
   -6.4764   -6.7185    0.0000 O   0  0
   -3.8971   -8.2500    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0  2  0  0  0
   -1.2998   -8.2531    0.0000 O   0  0
   -1.3019   -9.7539    0.0000 C   0  0
   -0.0055  -10.5085    0.0000 C   0  0
   -0.0107  -12.0085    0.0000 C   0  0
    1.2858  -12.7630    0.0000 N   0  0
   -1.3123  -12.7540    0.0000 C   0  0
   -1.3175  -14.2540    0.0000 O   0  0
   -2.6087  -11.9995    0.0000 C   0  0
   -3.9104  -12.7450    0.0000 C   0  0
   -2.6036  -10.4995    0.0000 O   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1596   -8.9800    0.0000 C   0  0
   -6.4587   -9.7299    0.0000 O   0  0
   -3.8602   -9.7310    0.0000 C   0  0
   -3.8599  -11.2310    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 21  1  0
 19 30  1  0
 30 14  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 11  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36  4  1  0
 36  8  2  0
 16 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10959

> <plate>
PLATE 001

> <well>
A9

> <supplier_cmpd_name>
Epirubicin hydrochloride

> <ctcr_id>
3694

> <supplier_cmpd_id>
T0125

> <smiles>
Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO

> <pd_targets>
{HSP90AA1,HSP90AB1,HIF1A,MAPT,RORC,MAPK1,POLB,SKA,FTL,KEAP1,NFE2L2,S100A4,THRB,STX1,ALDH1A1,FFP,NS1,ALD,GLF,KMT2A,MEN1,RECQL,KDM4E,STAT6,APAF1,BLM,USP2,TGR,NPSR1,CYP3A4,TIM23,BRCA1,POL,"REVERSE TRANSC
RIPTASE",HINDIIIR,NR5A1,TOP1,TOP2A,TOP2B,RAD51,HTR1B,HTR4,CISD1,LANA1,TERT,RNASE1,ALOX15,CASP9,CASP1,MMP2,ABCB1,PAX8,DHCR7,EBP,ABCC1,CHRM1,ERBB2,LCK,EPAS1,SLCO1B3,AURKA,FYN,ABCC4,NS3,HTT}

> <pathway_gtopdb>
{"Other cytosolic protein","Transcription factor",Enzyme,"Unclassified protein","Epigenetic regulator","Membrane receptor",Transporter,"Nuclear receptor",Kinase,Oxidoreductase,Transferase,Isomerase,Re
ader,Eraser,Protease,"Family A G protein-coupled receptor","Cytochrome P450",Hydrolase,"Primary active transporter","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Protein Kinase
",Bromodomain,"Lysine demethylase","Cysteine protease","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 5","Small molecule receptor (family A GPCR)","M
etallo protease","ATP-binding cassette","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group A","
Jumonji domain-containing","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 5 group A","Monoamine receptor","Cystein
e protease CD clan","Metallo protease MAM clan","ABCB subfamily","ABCC subfamily","TK protein kinase group","SLC21/SLCO family of organic anion transporting polypeptides","Other protein kinase group",
"Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine protease C1A family","Cysteine protease C19 
family","Neuropeptide receptor","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 5 group A member 1","Serotonin receptor","Cysteine protease C14 family","Metallo protease M10A subfamily","Ace
tylcholine receptor","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Other protein kinase AUR family","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA","Serine prot
ease","Serine protease PA clan","Serine protease S29 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Transcription factors","Peptidases and proteinases","G protein
-coupled receptors","Cytochrome P450","Heat shock proteins","DNA topoisomerases","Eicosanoid turnover","ATP-binding cassette transporter family","Catalytic receptors","SLC superfamily of solute carrie
rs","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1A. Thyroid hormone receptors","1.14.11.- Histone demethylases","STAT transcription factors","CA: Cysteine (C) 
Peptidases","Neuropeptide S receptor","CYP3 family","5A. Fushi tarazu F1-like receptors","5-Hydroxytryptamine receptors",Lipoxygenases,"CD: Cysteine (C) Peptidases","MA: Metallo (M) Peptidases","ABCB 
subfamily","ABCC subfamily","Acetylcholine receptors (muscarinic)","Receptor kinases","SLCO family of organic anion transporting polypeptides","Mitogen-activated protein kinases (MAP kinases)","C19: U
biquitin-specific protease","C14: Caspase","M10: Matrix metallopeptidase","TK: Tyrosine kinase","Other protein kinases","ERK subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinase
s (nRTKs)","Aurora kinase (Aur) family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Neuronal System","Gene expression (Transcription)","Immune System","DNA Repair","Vesicle-mediated transport","Metabolism of proteins",Metabolism,"Programmed 
Cell Death",Disease,"Cell Cycle","Signal Transduction",Autophagy,"Developmental Biology",Hemostasis,"Cellular responses to stress","Transmission across Chemical Synapses","RNA Polymerase II Transcript
ion","Innate Immune System","Base Excision Repair","Membrane Trafficking","Post-translational protein modification","Biological oxidations",Apoptosis,"DNA Double-Strand Break Repair","Infectious disea
se","Metabolism of lipids",Mitotic,"Signaling by GPCR","Chromosome Maintenance","Chaperone Mediated Autophagy","Nervous system development","Abacavir transport and metabolism","Platelet activation","s
ignaling and aggregation","Cellular response to hypoxia","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Toll-like Receptor Cascades","Resolution of 
Abasic Sites (AP sites)","trans-Golgi Network Vesicle Budding",SUMOylation,"Phase I - Functionalization of compounds","Cytosolic sensors of pathogen-associated DNA","Intrinsic Pathway for Apoptosis","
Homology Directed Repair","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G2-G2/M phases","Mitotic G1 phase and G1/S transition","GPCR ligand binding","Telo
mere Maintenance","Axon guidance","Abacavir transmembrane transport","Fatty acid metabolism","HIV Infection","Metabolism of steroids","Response to elevated platelet cytosolic Ca2+","Oxygen-dependent p
roline hydroxylation of Hypoxia-inducible Factor Alpha","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5) Cascade","Resolution o
f AP sites via the multiple-nucleotide patch replacement pathway","Golgi Associated Vesicle Biogenesis","SUMO E3 ligases SUMOylate target proteins","Ethanol oxidation","STING mediated induction of hos
t immune responses","Apoptotic factor-mediated response","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by TP53","Leishmania parasite growth 
and survival","Biosynthesis of DHA-derived SPMs","G2/M Transition","G0 and Early G1","Class A/1 (Rhodopsin-like receptors)","Extension of Telomeres","Biosynthesis of DPA-derived SPMs","EPH-Ephrin sign
aling","Arachidonic acid metabolism","Semaphorin interactions","Host Interactions of HIV factors","Bile acid and bile salt metabolism","Platelet degranulation","Post NMDA receptor activation events","
RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma membrane","PCNA-Dependent Long Patch Base Excision Repair","SUMOylation of intracellular receptors","STAT6-mediat
ed induction of chemokines","Cytochrome c-mediated apoptotic response","HDR through Homologous Recombination (HRR)","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania paras
ite infection","Biosynthesis of maresins","Centrosome maturation","SUMOylation of DNA replication proteins","Transcription of E2F targets under negative control by DREAM complex","Amine ligand-binding
 receptors","Telomere Extension By Telomerase","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of Cell Death Genes","EPH-ephrin mediated repulsion of cells","Synthesis of Leukotrienes (LT)
 and Eoxins (EX)","Sema4D in semaphorin signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Recycling of bile acids and salts","Activation of AMPK downstream of NMDARs","MAP ki
nase activation","Formation of apoptosome","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","Biosy
nthesis of maresin-like SPMs","Loss of proteins required for interphase microtubule organization from the centrosome","Serotonin receptors","Biosynthesis of DPAn-3-derived protectins and resolvins","T
P53 Regulates Transcription of Caspase Activators and Caspases","Muscarinic acetylcholine receptors","Sema4D induced cell migration and growth-cone collapse","Nef-mediates down modulation of cell surf
ace receptors by recruiting them to clathrin adapters","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","MAPK targets/ Nuclear events mediated by MAP kinases","Regul
ation of the apoptosome activity","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","Nef Mediated CD4 Down-regul
ation","ERK/MAPK targets","ERKs are inactivated","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX1","Regulation of MECP2 expression and activity","RUNX1 regulates genes involv
ed in megakaryocyte differentiation and platelet function"}

> <broad_targets>
{CHD1,TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{"ADM hydrochloride",25316-40-9,25316409,"Hydroxydaunorubicin hydrochloride","Epirubicin HCl","FI 6804","4-epi-Adriamycin hydrochloride","4'epiAdriamycin hydrochloride",56390-09-1,56390091,MLS00270210
7,"DOX HCl",NSC123127,"Doxorubicin, Hydrochloride",14-Hydroxydaunorubicin,14Hydroxydaunorubicin,"Doxorubicin hydrochloride_AOD",T0125,T1020,123127,NSC256942,"NSC 123127","Epirubicin hydrochloride","Do
xorubicin hydrochloride"}

> <pdid>
PD000383

> <targets>
{}

> <classes>
{"Topoisomerase II Inhibitors"}

> <pubchem_cids>
{32874,5458238,68441416}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 50  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7547    0.0000 C   0  0
    1.2938   -5.2548    0.0000 C   0  0
    2.5923   -6.0056    0.0000 C   0  0
    3.8918   -5.2565    0.0000 C   0  0
    3.8928   -3.7565    0.0000 C   0  0
    2.5943   -3.0056    0.0000 C   0  0
    5.1927   -6.0051    0.0000 O   0  0
    6.4918   -5.2536    0.0000 C   0  0
    7.7930   -5.9999    0.0000 C   0  0
    9.0900   -5.2463    0.0000 C   0  0
    9.0858   -3.7463    0.0000 C   0  0
    7.7846   -2.9999    0.0000 C   0  0
    6.4877   -3.7536    0.0000 C   0  0
    7.7773   -1.4991    0.0000 C   0  0
    6.4744   -0.7542    0.0000 C   0  0  2  0  0  0
    6.4649    0.7458    0.0000 C   0  0
    7.7592    1.5039    0.0000 C   0  0
    7.7498    3.0039    0.0000 C   0  0
    6.4461    3.7457    0.0000 C   0  0
    5.1518    2.9876    0.0000 C   0  0
    5.1612    1.4876    0.0000 C   0  0
    3.8669    0.7295    0.0000 C   0  0
    3.8763   -0.7705    0.0000 C   0  0
    5.1800   -1.5123    0.0000 N   0  0
    5.1894   -3.0123    0.0000 C   0  0
    6.4336    5.2465    0.0000 O   0  0
    5.1289    5.9865    0.0000 C   0  0
    9.0442    3.7620    0.0000 O   0  0
    7.7973   -7.4999    0.0000 O   0  0
   -5.1953   -1.5031    0.0000 O   0  0
   -5.1932   -3.0031    0.0000 C   0  0
   -5.1953    1.5031    0.0000 O   0  0
   -5.1932    3.0031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11  2  1  0
 11 12  1  6
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 27 26  1  1
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 27  1  0
 36 37  1  0
 31 38  1  0
 38 39  1  0
 30 40  1  0
 21 41  1  0
  8 42  1  0
 42 43  1  0
  7 44  1  0
 44 45  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10960

> <plate>
PLATE 001

> <well>
A10

> <supplier_cmpd_name>
Daurisoline

> <ctcr_id>
10896

> <supplier_cmpd_id>
T3054

> <smiles>
CN1CCc2cc(c(cc2[C@H]1Cc1ccc(cc1)Oc1c(ccc(c1)C[C@@H]1c2cc(c(cc2CCN1C)OC)O)O)OC)OC

> <pd_targets>
{KCNH2,KCNE1}

> <pathway_gtopdb>
{"Ion channel","Auxiliary transport protein","Voltage-gated ion channel","Slow voltage-gated potassium channel accessory protein family","Potassium channels","Voltage-gated potassium channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Potassium channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Muscle contraction","Cardiac conduction","Phase 3 - rapid repolarisation","Phase 2 - plateau phase"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Daurisoline,70553-76-3,70553763,CHEMBL2216904,"O(sup 7)-Demethyldauricine","O(sup 7)Demethyldauricine",Daruisoline,"D 610",DTXSID40220841,HY-N0221,HYN0221,8085AH,BDBM50403104,MFCD00221740,s9150,ZINC8
5492224,AKOS015897168,CCG-270233,CCG270233,CS-8095,CS8095,NCGC00482986-03,NCGC0048298603,553D763,Q-100785,Q100785,T3054}

> <pdid>
PD065436

> <targets>
{Others}

> <classes>
{Autophagy}

> <pubchem_cids>
{51106}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 32  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 I   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -3.9056    5.2465    0.0000 O   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9111    8.2477    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 I   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 I   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -1.2948   -3.7517    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -2.5908   -6.0056    0.0000 O   0  0
   -5.1894   -6.0109    0.0000 C   0  0
   -5.1872   -7.5109    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 10 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22  7  1  0
 22 23  1  0
 21 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10961

> <plate>
PLATE 001

> <well>
A11

> <supplier_cmpd_name>
Iopromide

> <ctcr_id>
3766

> <supplier_cmpd_id>
T1522

> <smiles>
COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(c1I)C(=O)N(C)CC(O)CO

> <pd_targets>
{LMNA}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"radiopaque medium"}

> <synonyms>
{iopromide,73334-07-3,73334073,Ultravist,Iopromidum,Iopromida,"ZK 35760",UNII-712BAC33MZ,UNII712BAC33MZ,712BAC33MZ,"Ultravist 300",CHEBI:63578,"Ultravist 370",iopromid,DSSTox_CID_3163,DSSToxCID3163,DS
STox-CID-3163,"DSSTox CID 3163",DSSTox_RID_76898,DSSToxRID76898,DSSTox-RID-76898,"DSSTox RID 76898",DSSTox_GSID_23163,DSSToxGSID23163,DSSTox-GSID-23163,"DSSTox GSID 23163","SHL 414C","Iopromidum (INN-
Latin)","Iopromidum (INNLatin)","Iopromida (INN",T1522,Prestw-872,Iopromide}

> <pdid>
PD009019

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3736}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 20  0  0  0  0            999 V2000
   23.1999    0.3750    0.0000 Ca  0  2
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 S   0  0
    9.0989   -0.7502    0.0000 O   0  5
    9.0992    0.7496    0.0000 O   0  0
    7.7999   -1.5000    0.0000 O   0  0
   12.8999    2.2500    0.0000 C   0  0
   12.8999    0.7500    0.0000 C   0  0
   11.6006    0.0004    0.0000 O   0  0
   14.1999    0.0000    0.0000 N   0  0
   15.4999    0.7500    0.0000 C   0  0
   16.7999    0.0000    0.0000 C   0  0
   18.0999    0.7500    0.0000 C   0  0
   19.3999    0.0000    0.0000 S   0  0
   20.6988   -0.7502    0.0000 O   0  5
   20.6991    0.7496    0.0000 O   0  0
   19.3999   -1.5000    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  9 12  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 20 23  2  0
M  CHG  3   1   2  10  -1  21  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10962

> <plate>
PLATE 001

> <well>
B2

> <supplier_cmpd_name>
Acamprosate calcium

> <ctcr_id>
5502

> <supplier_cmpd_id>
T1673

> <smiles>
[Ca++].CC(=O)NCCC[S]([O-])(=O)=O.CC(=O)NCCC[S]([O-])(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Acamprosate calcium",77337-73-6,77337736,Campral,"Calcium 3-(acetylamino)propane-1-sulfonate","Calcium 3(acetylamino)propane1sulfonate","Calcium N-acetylhomotaurinate","Calcium Nacetylhomotaurinate"
,"calcium 3-acetamidopropane-1-sulfonate","calcium 3acetamidopropane1sulfonate","1-Propanesulfonic acid, 3-(acetylamino)-, calcium salt (2:1)","1Propanesulfonic acid, 3(acetylamino), calcium salt (2:1
)",Acamprosat,T1673,1505711,Prestw-1502,"ACAMPROSATE CALCIUM"}

> <pdid>

> <targets>
{}

> <classes>
{"alcohol antagonist"}

> <pubchem_cids>
{155434,57483952,71311775}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 66 65  0  0  1  0            999 V2000
    1.7373    1.0031    0.0000 C   0  0
    2.6054    1.4996    0.0000 C   0  0
    2.6110    2.9995    0.0000 C   0  0
    3.9026    0.7446    0.0000 C   0  0  1  0  0  0
    5.2053    1.4898    0.0000 C   0  0
    5.2109    2.9898    0.0000 O   0  5
    6.5018    0.7354    0.0000 O   0  0
    3.8990   -0.7562    0.0000 N   0  0
    5.1972   -1.5092    0.0000 C   0  0
    6.4990   -0.7623    0.0000 C   0  0
    7.7972   -1.5154    0.0000 C   0  0
    9.0990   -0.7685    0.0000 C   0  0
   10.3965   -1.5212    0.0000 C   0  0
    5.1937   -3.0092    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3027    3.7529    0.0000 C   0  0
    0.0506    3.1362    0.0000 N   0  0
    1.0508    4.2541    0.0000 N   0  0
    0.2966    5.5507    0.0000 N   0  0
   -1.1696    5.2342    0.0000 N   0  5
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   12.8776   -3.5887    0.0000 O   0  0
   12.8828   -2.0887    0.0000 C   0  0
   11.5854   -1.3342    0.0000 O   0  0
   10.2828   -2.0797    0.0000 C   0  0
    8.9862   -1.3256    0.0000 C   0  0
   14.1854   -1.3433    0.0000 C   0  0  2  0  0  0
   14.1889   -0.3433    0.0000 C   0  0
   15.4828   -2.0978    0.0000 C   0  0
   16.7854   -1.3523    0.0000 C   0  0  2  0  0  0
   16.7937    0.1485    0.0000 N   0  0
   15.4986    0.9069    0.0000 C   0  0
   15.5069    2.4077    0.0000 C   0  0
   14.2118    3.1661    0.0000 C   0  0
   14.2201    4.6669    0.0000 C   0  0
   15.5235    5.4093    0.0000 O   0  5
   12.9257    5.4249    0.0000 O   0  0
   14.1952    0.1645    0.0000 O   0  0
   18.0805   -2.1107    0.0000 C   0  0
   18.0722   -3.6115    0.0000 C   0  0
   19.3655   -4.3714    0.0000 C   0  0
   19.3541   -5.8713    0.0000 C   0  0
   18.0494   -6.6115    0.0000 C   0  0
   18.0380   -8.1122    0.0000 C   0  0
   19.3301   -8.8742    0.0000 C   0  0
   19.3163  -10.3741    0.0000 C   0  0
   18.0104  -11.1121    0.0000 C   0  0
   16.7183  -10.3502    0.0000 C   0  0
   16.7321   -8.8503    0.0000 C   0  0
   16.7561   -5.8516    0.0000 C   0  0
   16.7675   -4.3516    0.0000 C   0  0
   31.9767   -1.3570    0.0000 Na  0  3
   29.4767   -1.3570    0.0000 Na  0  3
   26.9767   -1.3570    0.0000 Na  0  3
   24.4767   -1.3570    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  4  2  1  1
  4  5  1  0
  5  6  1  0
  5  7  2  0
  4  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  9 14  2  0
  8 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 20  1  0
 25 26  1  0
 26 27  2  3
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 26  1  0
 19 31  1  0
 31 32  2  3
 32 16  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 34 38  1  0
 38 39  1  6
 38 40  1  0
 41 40  1  6
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  2  0
 43 49  2  0
 41 50  1  0
 50 51  1  0
 51 52  2  3
 52 53  1  0
 53 54  2  3
 54 55  1  0
 55 56  2  3
 56 57  1  0
 57 58  2  3
 58 59  1  0
 59 60  2  3
 60 55  1  0
 54 61  1  0
 61 62  2  3
 62 51  1  0
M  CHG  6   6  -1  30  -1  47  -1  63   1  64   1  65   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10963

> <plate>
PLATE 001

> <well>
B3

> <supplier_cmpd_name>
LCZ696

> <ctcr_id>
10897

> <supplier_cmpd_id>
T2318

> <smiles>
CC(C)[C@@H](C([O-])=O)N(C(CCCC)=O)CC1=CC=C(C2=CC=CC=C2C3=NN=N[N-]3)C=C1.O=C(OCC)[C@H](C)C[C@H](NC(CCC([O-])=O)=O)CC4=CC=C(C5=CC=CC=C5)C=C4.[Na+].[Na+].[Na+].O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"LCZ696 (Valsarta + sacubitril)",LCZ-696A,LCZ696A,BCP10630,Q6457467,T2318,LCZ696}

> <pdid>

> <targets>
{RAAS}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{24755604}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  8  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10964

> <plate>
PLATE 001

> <well>
B4

> <supplier_cmpd_name>
Benzyl alcohol

> <ctcr_id>
10898

> <supplier_cmpd_id>
T0732

> <smiles>
OCC1=CC=CC=C1

> <pd_targets>
{TSHR,CYP142,ADRA2A,ADRA2B,ADRA2C,PNMT,LOXL2}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Glycohormone receptor",Enzyme,Transferase,Oxidoreductase,"Small molecule receptor (family A GPCR)","Monoa
mine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Glycoprotein hormone receptors",Enzymes,"Catecholamine turnover","1.4.3.13 Lysyl oxidases"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production",Metabolism,"Extracellular matrix organization","Metabolism of amino acids and derivatives","Collagen formation","Metabolism of amine-derived hormones","Assembly of collagen fibri
ls and other multimeric structures","Catecholamine biosynthesis","Crosslinking of collagen fibrils"}

> <broad_targets>
{}

> <broad_moa>
{"local anesthetic"}

> <synonyms>
{"Sunmorl BK 20","benzyl alcohol",phenylmethanol,benzenemethanol,100-51-6,100516,phenylcarbinol,"Benzoyl alcohol",benzylalcohol,Benzenecarbinol,Hydroxytoluene,"Phenylmethyl alcohol",alpha-Toluenol,alp
haToluenol,(Hydroxymethyl)benzene,Phenolcarbinol,"Benzal alc",T4846,T0732,Benzylamine,"Benzyl alcohol"}

> <pdid>
PD001116

> <targets>
{ALDH}

> <classes>
{Metabolism}

> <pubchem_cids>
{244}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  8  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10965

> <plate>
PLATE 001

> <well>
B5

> <supplier_cmpd_name>
Roniacol

> <ctcr_id>
3471

> <supplier_cmpd_id>
T1299

> <smiles>
OCc1cccnc1

> <pd_targets>
{KDM4E}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{3-PYRIDINEMETHANOL,3PYRIDINEMETHANOL,100-55-0,100550,"Nicotinyl alcohol",pyridin-3-ylmethanol,pyridin3ylmethanol,3-(Hydroxymethyl)pyridine,3(Hydroxymethyl)pyridine,3-Pyridylmethanol,3Pyridylmethanol,
"Nicotinic alcohol",3-Pyridylcarbinol,3Pyridylcarbinol,Roniacol,3-Pyridinylmethanol,3Pyridinylmethanol,Pyridylcarbinol,Pyridine-3-carbinol,Pyridine3carbinol,Pyridine-3-methanol,Pyridine3methanol,beta-
P,betaP,T1581,T1299,SAM001246894,Picolamine,CPD000059086}

> <pdid>
PD000170

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{7510}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 14  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 O   0  0
    9.0999    0.7500    0.0000 C   0  0
    9.0999    2.2500    0.0000 C   0  0
   10.3992    0.0004    0.0000 O   0  0
    5.2030   -1.5008    0.0000 O   0  0
    6.5039   -2.2494    0.0000 C   0  0
    7.8016   -1.4971    0.0000 C   0  0
    6.5070   -3.7494    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  6 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10966

> <plate>
PLATE 001

> <well>
B6

> <supplier_cmpd_name>
Triacetin

> <ctcr_id>
1444

> <supplier_cmpd_id>
T0730

> <smiles>
CC(=O)OCC(COC(C)=O)OC(C)=O

> <pd_targets>
{TP53,LMNA}

> <pathway_gtopdb>
{"Transcription factor","Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle","Cell Cycle Checkpoints",Mitotic,"G1/S DNA Damage Checkpoints","M Phase","p53-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","p53-Dependent G1 DNA Damage Response
","Mitotic Anaphase","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{SBB060703,"Triacetin, 8CI, BAN, INN, USAN","1,2,3-Propanetriol triacetate, 9CI","1,2,3Propanetriol triacetate, 9CI","1,2,3 Propanetriol triacetate, 9CI",AKOS009028851,Tox21_111155_1,Tox211111551,Tox2
1-111155-1,"Tox21 111155 1","Glyceryl triacetate, >=99.0 (GC)",MCULE-6622854116,MCULE6622854116,"MCULE 6622854116",NSC-757364,NSC757364,"NSC 757364","1,3-bis(acetyloxy)propan-2-yl acetate","1,3bis(ace
tyloxy)propan2yl acetate","1,3 bis(acetyloxy)propan 2 yl acetate",IDI1_000740,IDI1000740,IDI1-000740,"IDI1 000740",NCGC0009161,T0730,1500585,Triacetin,TRIACETIN}

> <pdid>
PD001722

> <targets>
{}

> <classes>
{"antifungal (topical)"}

> <pubchem_cids>
{5541}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10 11  2  0
 11  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10967

> <plate>
PLATE 001

> <well>
B7

> <supplier_cmpd_name>
cis-Anethol

> <ctcr_id>
238

> <supplier_cmpd_id>
T0014

> <smiles>
COc1ccc(\C=C\C)cc1

> <pd_targets>
{KDM4E,ALDH1A1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Oxidoreductase,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Ethanol oxidation"}

> <broad_targets>
{}

> <broad_moa>
{"glutathione transferase stimulant"}

> <synonyms>
{trans-Anethole,transAnethole,4180-23-8,4180238,104-46-1,104461,(E)-Anethole,(E)Anethole,p-Propenylanisole,pPropenylanisole,4-Propenylanisole,4Propenylanisole,"Anise camphor",trans-Anethol,transAnetho
l,cis-Anethol,cisAnethol,(E)-1-Methoxy-4-(prop-1-en-1-yl)benzene,(E)1Methoxy4(prop1en1yl)benzene,Isoestragole,Anethol,Monasirup,p-Anethole,pAnethole,"Oil of aniseed",(E)-Anethol,(E)Anethol,A,T0014,T07
62,1503705,Trans-Anethole,ANETHOLE}

> <pdid>
PD000888

> <targets>
{Endogenous Metabolite}

> <classes>
{expectorant,gastric stimulant,insecticide,Metabolic Enzyme/Protease}

> <pubchem_cids>
{637563}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10968

> <plate>
PLATE 001

> <well>
B8

> <supplier_cmpd_name>
Methyl salicylate

> <ctcr_id>
10899

> <supplier_cmpd_id>
T0399

> <smiles>
COC(=O)c1ccccc1O

> <pd_targets>
{LMNA,TSHR,TRPA1}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor","Ion channel","Family A G protein-coupled receptor","Voltage-gated ion channel","Peptide receptor (family A GPCR)","Transient receptor potential channel","
Glycohormone receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Glycoprotein hormone receptors","Transient Receptor Potential channels"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Transport of small molecules",Mitotic,"Infectious disease","Ion channel transport","M Phase","Leishmania infection","Stimuli-sensing channels","Mitotic Metaphase and Anaphase","
Leishmania parasite growth and survival","TRP channels","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Nuclear Envelope (NE) Reassembly","ADORA2B mediated ant
i-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"methyl salicylate","Methyl 2-hydroxybenzoate","Methyl 2hydroxybenzoate",119-36-8,119368,"Wintergreen oil","Gaultheria oil","Betula oil","Teaberry oil","Sweet birch oil","OIL OF WINTERGREEN",Analgit,
"Spicewood Oil",2-Carbomethoxyphenol,2Carbomethoxyphenol,"2-Hydroxybenzoic acid methyl es","2Hydroxybenzoic acid methyl es",T0399,"Methyl salicylate"}

> <pdid>
PD013472

> <targets>
{TRPV1}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{4133}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    5.1937   -3.0093    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10969

> <plate>
PLATE 001

> <well>
B9

> <supplier_cmpd_name>
Benzyl benzoate

> <ctcr_id>
6104

> <supplier_cmpd_id>
T0729

> <smiles>
O=C(OCc1ccccc1)c2ccccc2

> <pd_targets>
{TDP1,LIPE,AMPC,FTL}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Hydrolase}

> <pathway_chembl>
{Enzymes,Hydrolases}

> <pathway_reactome>
{"DNA Repair",Metabolism,"Vesicle-mediated transport","DNA Double-Strand Break Repair","Metabolism of lipids","Membrane Trafficking","Nonhomologous End-Joining (NHEJ)","Triglyceride metabolism","trans
-Golgi Network Vesicle Budding","Triglyceride catabolism","Golgi Associated Vesicle Biogenesis"}

> <broad_targets>
{LIPE}

> <broad_moa>
{"lipase inhibitor"}

> <synonyms>
{"BENZYL BENZOATE",120-51-4,120514,Ascabiol,"Benzoic acid, phenylmethyl ester","Benzoic acid benzyl ester",Benylate,Novoscabin,"Benzoic acid, benzyl ester",Ascabin,Scabitox,Scobenol,"Benzyl phenylform
ate","Phenylmethyl benzoate",Benzylets,Colebe,T0729,1503002,"Benzyl benzoate"}

> <pdid>
PD001112

> <targets>
{}

> <classes>
{scabicide}

> <pubchem_cids>
{2345}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  0  0            999 V2000
   15.6028   -2.9751    0.0000 C   0  0
   15.6002   -1.4751    0.0000 C   0  0
   16.8982   -0.7232    0.0000 O   0  0
   14.2989   -0.7273    0.0000 O   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
   10.4029   -2.9841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3164   -2.2191    0.0000 C   0  0
   -1.3163   -2.2193    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  3
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  1  0
 22 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10970

> <plate>
PLATE 001

> <well>
B10

> <supplier_cmpd_name>
Retinyl acetate

> <ctcr_id>
1864

> <supplier_cmpd_id>
T0685

> <smiles>
CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C

> <pd_targets>
{MAPT,ALDH1A1,FTL,CYP3A4,HPGD,HSD17B10,SLCO1B1,SLCO1B3}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Unclassified protein",Transporter,Oxidoreductase,Protease,"Cytochrome P450","Electrochemical transporter","Cysteine protease","Cytochrome P450 family 3","SLC superfa
mily of solute carriers","Cysteine protease CA clan","Cytochrome P450 family 3A","SLC21/SLCO family of organic anion transporting polypeptides","Cysteine protease C1A family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,"Cytochrome P450","Eicosanoid turnover","SLC superfamily of solute carriers","CYP3 family","Prostaglandin synthases","SLCO family of organic anion transporting polypeptides"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Vesicle-mediated transport","Transmission across Chemical Synapses","Biological oxidations","Membrane Trafficking","Metabolism of lipids","Metabolism of amino acids and 
derivatives","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolvin
g mediators (SPMs)","Branched-chain amino acid catabolism","Metabolism of steroids","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Golgi Associated Vesicle Biogenesis","Bi
osynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","Post NMDA receptor activation events","Biosynthesis of maresins","Biosynthesis of D-series resolvins","Recycling of bile acids and
 salts","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"9-cis Retinol Acetate","9cis Retinol Acetate","Retinol acetate","Retinol acetate;Vitamin A acetate",29584-22-3,29584223,"13-cis-Retinyl acetate","13cisRetinyl acetate","9-cis-Retinol acetate;9-cis-V
itamin A acetate","9cisRetinol acetate;9cisVitamin A acetate",34356-31-5,34356315,Spectrum_001302,Spectrum001302,Spectrum-001302,"Spectrum 001302",Spectrum2_000501,Spectrum2000501,Spectrum2-000501,"Sp
ectrum2 000501",Spectrum3_001187,Spectrum3001187,Spectrum3-001187,"Spectrum3 001187",Spectrum4_000770,Spectrum4000770,Spectrum4-000770,"Spectrum4 000770",SCHEMBL21,T0685,S4083,"Retinyl acetate","Vitam
in A Acetate"}

> <pdid>
PD001096

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{5057}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  1  0            999 V2000
   15.0356    1.3354    0.0000 C   0  0
   14.7321   -0.1336    0.0000 C   0  0
   15.8528   -1.1306    0.0000 C   0  0
   13.3077   -0.6064    0.0000 O   0  0
   13.0040   -2.0761    0.0000 C   0  0
   14.1247   -3.0731    0.0000 O   0  0
   11.5796   -2.5489    0.0000 C   0  0
   11.2759   -4.0187    0.0000 C   0  0
    9.8515   -4.4915    0.0000 C   0  0
    9.5478   -5.9613    0.0000 C   0  0
    8.1234   -6.4341    0.0000 C   0  0
    7.0011   -5.4376    0.0000 C   0  0
    5.5792   -5.9096    0.0000 C   0  0  1  0  0  0
    4.3516   -5.0476    0.0000 C   0  0  1  0  0  0
    4.3275   -3.5478    0.0000 O   0  0
    3.1525   -5.9487    0.0000 C   0  0
    3.6389   -7.3677    0.0000 C   0  0  1  0  0  0
    2.7842   -8.6004    0.0000 O   0  0
    5.1256   -7.3260    0.0000 C   0  0  2  0  0  0
    6.0248   -8.5277    0.0000 C   0  0
    5.4345   -9.9076    0.0000 C   0  0
    6.3337  -11.1092    0.0000 C   0  0  1  0  0  0
    7.8231  -10.9310    0.0000 O   0  0
    5.7435  -12.4891    0.0000 C   0  0
    6.6426  -13.6908    0.0000 C   0  0
    6.0524  -15.0707    0.0000 C   0  0
    6.9493  -16.2730    0.0000 C   0  0
    6.3566  -17.6509    0.0000 C   0  0
    4.8669  -17.8266    0.0000 C   0  0
    3.9700  -16.6243    0.0000 C   0  0
    4.5627  -15.2463    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  1  6
 17 19  1  0
 19 13  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10971

> <plate>
PLATE 001

> <well>
B11

> <supplier_cmpd_name>
Latanoprost

> <ctcr_id>
1091

> <supplier_cmpd_id>
T2528

> <smiles>
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc2ccccc2

> <pd_targets>
{PTGFR,MAPT,MAPK1,KMT2A,MEN1,KDM4E,ABCB11,PTGER1}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein",Enzyme,"Epigenetic regulator",Transporter,"Family A G protein-coupled receptor",Kinase,Reader,Eraser,"Primary active transporter","Small molecule recepto
r (family A GPCR)","Protein Kinase",Bromodomain,"Lysine demethylase","ATP-binding cassette","Lipid-like ligand receptor (family A GPCR)","CMGC protein kinase group","Jumonji domain-containing","ABCB s
ubfamily","Prostanoid receptor","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","ATP-binding cassette transporter family","Prostanoid receptors","CMGC: Containing CD
K",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases","ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Neuronal System","Immune System",Metabolism,"Signaling by GPCR","Transmission across Chemical Synapses","Innate Immune System","Metabolism of lipids","GPCR ligand binding","Neu
rotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor Cascades","Metabolism of steroids","Class A/1 (Rhodopsin-like receptors)","Activation of NMDA receptors and postsynapt
ic events","Toll Like Receptor 5 (TLR5) Cascade","Bile acid and bile salt metabolism","Eicosanoid ligand-binding receptors","Post NMDA receptor activation events","MyD88 cascade initiated on plasma me
mbrane","Synthesis of bile acids and bile salts","Prostanoid ligand receptors","Activation of AMPK downstream of NMDARs","MAP kinase activation","Synthesis of bile acids and bile salts via 7alpha-hydr
oxycholesterol","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PTGFR}

> <broad_moa>
{"prostanoid receptor agonist"}

> <synonyms>
{130209-82-4,130209824,"130209 82 4",Xalatan,PhXA41,PHXA-41,PHXA41,"PHXA 41","PhXA 41",XA41,UNII-6Z5B6HVF6O,UNII6Z5B6HVF6O,"UNII 6Z5B6HVF6O","Latanoprost, ethanol solution",6Z5B6HVF6O,CHEBI:6384,MFCD0
0216074,XA-41,"XA 41",T-2345,T2345,"T 2345",Catioprost,SMR000466354,"Xalatan (TN)","latanoprost (isopropyl ester)",latanoprostum,T2528,SAM001246671,Latanoprost,CPD000466354}

> <pdid>
PD002939

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5311221}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  7  6  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 F   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 F   0  0
    0.0011    1.5002    0.0000 F   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 Cl  0  0
    3.8993    0.7496    0.0000 Br  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10972

> <plate>
PLATE 001

> <well>
C2

> <supplier_cmpd_name>
Anestan

> <ctcr_id>
600

> <supplier_cmpd_id>
T0954

> <smiles>
FC(F)(F)C(Cl)Br

> <pd_targets>
{HSD17B10,ALDH1A1,KCNK5,KCNK12,KCNK10,KCNK9,KCNK2,KCNK13,KCNK18,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,GLRA1,GLRB,KCNMA1,GRIN3A,GRI
N3B,GRIN2A,RHO,KCNJ6,KCNJ3,MT-ND1,KCNN4,GNG2,NPSR1,ATP2B1,ATP2B2,ATP2B3,ATP2B4,KCNB1,KCNK3}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel","Membrane receptor",Oxidoreductase,Protease,"Voltage-gated ion channel","Ligand-gated ion channel","Family A G protein-coupled receptor","Cysteine protease
","Potassium channels","GABA-A receptor","Glycine receptor","Ionotropic glutamate receptor",Opsin,"Peptide receptor (family A GPCR)","Cysteine protease CA clan","Two-pore domain potassium channel","Ca
lcium-activated potassium channel","NMDA receptor",Rhodopsin,"Inwardly rectifying potassium channel","Short peptide receptor (family A GPCR)","Voltage-gated potassium channel","Cysteine protease C1A f
amily","Neuropeptide receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,"Voltage-gated ion channels","Ligand-gated ion channels","G protein-coupled receptors","Potassium channels","Ionotropic glutamate receptors","Glycine receptors","Orphan and o
ther 7TM receptors","GABA<sub>A</sub> receptors","Neuropeptide S receptor","Two P domain potassium channels","Calcium- and sodium-activated potassium channels","Opsin receptors","Inwardly rectifying p
otassium channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{Metabolism,"Muscle contraction","Neuronal System",Hemostasis,"Signal Transduction",Disease,"Metabolism of amino acids and derivatives","Biological oxidations","Cardiac conduction","Potassium Channels
","Platelet homeostasis","Transmission across Chemical Synapses","Signaling by GPCR","The citric acid (TCA) cycle and respiratory electron transport","Infectious disease","Integration of energy metabo
lism","Branched-chain amino acid catabolism","Phase I - Functionalization of compounds","Phase 4 - resting membrane potential","Tandem pore domain potassium channels","Nitric oxide stimulates guanylat
e cyclase","Neurotransmitter receptors and postsynaptic signal transmission","GPCR downstream signalling","Respiratory electron transport","ATP synthesis by chemiosmotic coupling","and heat production
 by uncoupling proteins.","Ca2+ activated K+ channels","Leishmania infection","Regulation of insulin secretion","Ethanol oxidation","TWIK related potassium channel (TREK)","TWIK-releated acid-sensitiv
e K+ channel (TASK)","Tandem pore domain halothane-inhibited K+ channel (THIK)","TWIK-related spinal cord K+ channel (TRESK)","cGMP effects","Activation of NMDA receptors and postsynaptic events","G a
lpha (i) signalling events","GABA receptor activation","Leishmania parasite growth and survival","Glucagon-like Peptide-1 (GLP1) regulates insulin secretion","Assembly and cell surface presentation of
 NMDA receptors","Post NMDA receptor activation events","Visual phototransduction","GABA B receptor activation","Complex I biogenesis","Anti-inflammatory response favouring Leishmania parasite infecti
on","Long-term potentiation","The phototransduction cascade","Activation of GABAB receptors","ADORA2B mediated anti-inflammatory cytokines production","Activation of the phototransduction cascade","In
hibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits"}

> <broad_targets>
{GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,GLRA1,GLRB,KCNK10,KCNK12,KCNK13,KCNK15,KCNK18,KCNK2,KCNK3,KCNK9}

> <broad_moa>
{"glutamate receptor antagonist"}

> <synonyms>
{151-67-7,151677,Fluothane,"2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE","2BROMO2CHLORO1,1,1TRIFLUOROETHANE",Narcotane,Rhodialothan,Narcotan,Anestan,Bromochlorotrifluoroethane,Fluorotane,Ftuorotan,Phthorot
hanum,Ftorotan,Halothan,Narkotan,Fluktan,Halotan,Halsan,Halan,Chalothane,Halota,T0954,1505434,HALOTHANE}

> <pdid>
PD000413

> <targets>
{}

> <classes>
{anesthetic}

> <pubchem_cids>
{3562}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 35  0  0  0  0            999 V2000
    2.6000   -1.5000    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3011   -0.7502    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 N   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   10.3999   -1.5000    0.0000 O   0  0
   11.6999    0.7500    0.0000 N   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 S   0  0
   16.8999    0.7500    0.0000 S   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 N   0  0
   22.0998    0.7500    0.0000 C   0  0
   22.0998    2.2500    0.0000 O   0  0
   23.3998    0.0000    0.0000 C   0  0
   24.6998    0.7500    0.0000 C   0  0
   25.9998    0.0000    0.0000 N   0  0
   27.2998    0.7500    0.0000 C   0  0
   27.2998    2.2500    0.0000 O   0  0
   28.5998    0.0000    0.0000 C   0  0
   28.5998   -1.5000    0.0000 O   0  0
   29.8998    0.7500    0.0000 C   0  0
   29.8998    2.2500    0.0000 C   0  0
   31.1987    1.5002    0.0000 C   0  0
   31.1998    0.0000    0.0000 C   0  0
   32.4990    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
 35 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10973

> <plate>
PLATE 001

> <well>
C3

> <supplier_cmpd_name>
D-Pantethine

> <ctcr_id>
247

> <supplier_cmpd_id>
T0978

> <smiles>
CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"coenzyme A precursor"}

> <synonyms>
{138148-35-3,138148353,"D-Pantethine;LBF disulfide","DPantethine;LBF disulfide","Pantosin (TN)","Bis(N-pantothenylamidoethyl) disulfide","Bis(Npantothenylamidoethyl) disulfide",SR-05000002047,SR050000
02047,NCGC00181028-01,NCGC0018102801,"D-pantethine anhydrous","Dpantethine anhydrous","Pantethine (JP17)",ACMC-20mx7k,ACMC20mx7k,"D-Pantethine hydrate syrup","DPantethine hydrate syrup",DSSTox_CID_268
15,DSSToxCID26815,DSSTox-CID-26815,"DSSTox CID 26815",DSSTox_RID_8,DSSToxRID8,DSSTox-RID-8,"DSSTox RID 8",T0978,1505920,D-Pantethine,PANTETHINE}

> <pdid>
PD000265

> <targets>
{Endogenous Metabolite}

> <classes>
{antilipemic,Metabolic Enzyme/Protease}

> <pubchem_cids>
{4677}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8983   -0.7459    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8 12  2  0
 12  4  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10974

> <plate>
PLATE 001

> <well>
C4

> <supplier_cmpd_name>
Propofol

> <ctcr_id>
6555

> <supplier_cmpd_id>
T1300

> <smiles>
CC(C)c1cccc(C(C)C)c1O

> <pd_targets>
{GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,LMNA,HCN1,FAAH,HIF1A,CYP1A2,CA2,FTL,CYP3A4,CA1,ALOX15,TSHR,CHRM1,HPGD,HTR2B,PTGS1,HTR2C,SLC
6A2,SCN4A,SCN2A}

> <pathway_gtopdb>
{"Ion channel","Other nuclear protein",Enzyme,"Transcription factor","Unclassified protein","Membrane receptor",Transporter,"Ligand-gated ion channel","Voltage-gated ion channel",Hydrolase,"Cytochrome
 P450",Lyase,Oxidoreductase,"Family A G protein-coupled receptor","Electrochemical transporter","GABA-A receptor","Cyclic nucleotide-regulated channel","Cytochrome P450 family 1","Cytochrome P450 fami
ly 3","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Voltage-gated sodium channel","Cytochrome P450 family 1A","Cytochrome P450 fami
ly 3A","Glycohormone receptor","Monoamine receptor","SLC06 neurotransmitter transporter family","Cytochrome P450 1A1","Cytochrome P450 3A4","Acetylcholine receptor","Serotonin receptor"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,Transporters,"Voltage-gated ion channels","Endocannabinoid turnover","Cytochrome P450","Carbonic anhydrases","Eicosanoid turnover","G protein-coupled receptors","SLC 
superfamily of solute carriers","Ligand-gated ion channels","Cyclic nucleotide-regulated channels","<i>N</i>-Acylethanolamine turnover","CYP1 family","CYP3 family",Lipoxygenases,"Glycoprotein hormone 
receptors","Acetylcholine receptors (muscarinic)","Prostaglandin synthases","5-Hydroxytryptamine receptors",Cyclooxygenase,"SLC6 neurotransmitter transporter family","GABA<sub>A</sub> receptors","Volt
age-gated sodium channels","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System",Metabolism,"Cellular responses to external stimuli","Transport of small molecules","Vesicle-mediated transport","Immune System",Disease,"Signal Transduction","Developme
ntal Biology",Mitotic,"Potassium Channels","Metabolism of lipids","Cellular responses to stress","Biological oxidations","O2/CO2 exchange in erythrocytes","Membrane Trafficking","Cytokine Signaling in
 Immune system","Infectious disease","Signaling by GPCR","Disorders of transmembrane transporters","Transmission across Chemical Synapses","Nervous system development","M Phase","HCN channels","Fatty 
acid metabolism","Cellular response to hypoxia","Phase I - Functionalization of compounds","Erythrocytes take up carbon dioxide and release oxygen","trans-Golgi Network Vesicle Budding","Biosynthesis 
of specialized proresolving mediators (SPMs)","Signaling by Interleukins","Leishmania infection","GPCR ligand binding","SLC transporter disorders","Neurotransmitter receptors and postsynaptic signal t
ransmission","Axon guidance","Mitotic Metaphase and Anaphase","Arachidonic acid metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by su
bstrate type","Golgi Associated Vesicle Biogenesis","Biosynthesis of DHA-derived SPMs","Interleukin-12 family signaling","Biosynthesis of DPA-derived SPMs","Leishmania parasite growth and survival","C
lass A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","GABA receptor activation","L1CAM interactions","Mitotic Anaphase",Xenobiotics,"Biosynthesis of maresins","I
nterleukin-12 signaling","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Biosynthesis of D-series resolvins","Synth
esis of Prostaglandins (PG) and Thromboxanes (TX)","Interaction between L1 and Ankyrins","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynth
esis of maresin-like SPMs","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflamm
atory cytokines production","Muscarinic acetylcholine receptors","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{FAAH,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,SCN2A,SCN4A}

> <broad_moa>
{"benzodiazepine receptor agonist"}

> <synonyms>
{propofol,"2,6-DIISOPROPYLPHENOL","2,6DIISOPROPYLPHENOL",2078-54-8,2078548,Diprivan,Disoprofol,Disoprivan,Diisopropylphenol,"2,6-Bis(1-methylethyl)phenol","2,6Bis(1methylethyl)phenol",Fresofol,Ampofol
,"Phenol, 2,6-bis(1-methylethyl)-","Phenol, 2,6bis(1methylethyl)",Rapinovet,Propofolum,Recofol,Ivofol,Propofol-Lipuro,PropofolLipuro,2,6-di(propan-2-yl),6di(propan2yl),T1300,SAM002264610,1505022,Prest
w-931,Propofol,CPD000059151,PROPOFOL}

> <pdid>
PD000647

> <targets>
{Endogenous Metabolite,GABA Receptor}

> <classes>
{anesthetic,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{4943}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10975

> <plate>
PLATE 001

> <well>
C5

> <supplier_cmpd_name>
Tyloxapol

> <ctcr_id>
4194

> <supplier_cmpd_id>
T0307

> <smiles>
NCCc1ccc(O)cc1

> <pd_targets>
{BLM,KMT2A,TAAR1,SLC6A3,HTR1A,HTR1B,HTR1D,HTR1F,HTR2A,HTR2B,HTR2C,HTR3A,HTR3B,HTR4,HTR5A,HTR5B,HTR6,HTR7,ALDH1A1,CHRM1,ADRA1A,KDM4E,SLC6A4,NCE103,CA2,MTCA1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor",Transporter,"Ion channel",Reader,"Family A G protein-coupled receptor","Electrochemical transporter",Oxidoreductase,Eraser,"Ligand-gated ion channel"
,Bromodomain,"Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Lysine demethylase","5HT3 receptor","Monoamine receptor","SLC06 neurotransmitter transporter family","Jumon
ji domain-containing","Trace amine receptor","Serotonin receptor","Acetylcholine receptor","Adrenergic receptor",Lyase}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Chromatin modifying enzymes","G protein-coupled receptors","SLC superfamily of solute carriers","Ligand-gated ion channels","2.1.1.43 Histone methyltran
sferases (HMTs)","Trace amine receptor","SLC6 neurotransmitter transporter family","Acetylcholine receptors (muscarinic)",Adrenoceptors,"1.14.11.- Histone demethylases","5-HT<sub>3</sub> receptors","5
-Hydroxytryptamine receptors","Monoamine transporter subfamily","Carbonic anhydrases"}

> <pathway_reactome>
{"DNA Repair","Gene expression (Transcription)",Disease,Metabolism,"Signal Transduction","Neuronal System","DNA Double-Strand Break Repair","RNA Polymerase II Transcription","Infectious disease","Diso
rders of transmembrane transporters","Biological oxidations","Signaling by GPCR","Transmission across Chemical Synapses","Homology Directed Repair","Generic Transcription Pathway","Leishmania infectio
n","SLC transporter disorders","Phase I - Functionalization of compounds","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","Neurotransmitter clearance","HDR thro
ugh Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX1","Leishmania parasite growth and survival","Defective SLC6A3 causes Parkinsonism-dystonia infa
ntile (PKDYS)","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Serotonin clearance from the synaptic cleft","HDR through Homologous Recombination (HRR)","RUNX1 regulates genes involved in 
megakaryocyte differentiation and platelet function","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Homologous DNA Pairing and Strand Exchange",
"ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors",Adrenoceptors,"Serotonin receptors","Presynaptic phase of homologous DNA pairing and strand exchange","Tr
ansport of small molecules","O2/CO2 exchange in erythrocytes","Erythrocytes take up carbon dioxide and release oxygen"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{4aminoethylphenol,AEF,tyramine,4-(2-Aminoethyl)phenol,4(2Aminoethyl)phenol,51-67-2,51672,p-Tyramine,pTyramine,4-Hydroxyphenethylamine,4Hydroxyphenethylamine,2-(4-Hydroxyphenyl)ethylamine,2(4Hydroxyph
enyl)ethylamine,Uteramine,Tocosine,Tyramin,4-Hydroxyphenylethylamine,4Hydroxyphenylethylamine,Tyrosamine,"Phenol, 4-(2-aminoethyl)-","Phenol, 4(2aminoethyl)",Systogene,p-(2-Aminoethyl),p(2Aminoethyl),
T3095,T2861,T0307,210400,Tyramine,Tyrosol,Tyloxapol,TYRAMINE}

> <pdid>
PD002144

> <targets>
{Others,Endogenous Metabolite}

> <classes>
{adrenergic agonist,Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5610}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 10  0  0  0  0            999 V2000
    2.6000   -1.5000    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3011   -0.7502    0.0000 O   0  0
    1.3000    0.7500    0.0000 P   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    0.0011    1.5002    0.0000 O   0  0
    3.9000    0.7500    0.0000 P   0  0
    5.1992    0.0004    0.0000 O   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.1989    1.5002    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  4  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10976

> <plate>
PLATE 001

> <well>
C6

> <supplier_cmpd_name>
Etidronate

> <ctcr_id>
10900

> <supplier_cmpd_id>
T0308

> <smiles>
CC(O)(P(=O)(O)O)P(=O)(O)O

> <pd_targets>
{LMNA,PTPRS,ATP6V1A,SLC25A4,SLC25A5,SLC25A6}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Unclassified protein",Phosphatase,"Protein Phosphatase","Tyrosine protein phosphatase","Receptor tyrosine-protein phosphatase"}

> <pathway_chembl>
{Receptors,Transporters,"Catalytic receptors","F-type and V-type ATPases","SLC superfamily of solute carriers","Receptor tyrosine phosphatase (RTP) family","V-type ATPase","SLC25 family of mitochondri
al transporters","Mitochondrial nucleotide transporter subfamily"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction",Disease,Mitotic,"Signaling by Receptor Tyrosine Kinases","Infectious disease","M Phase","Signaling by NTRKs","Signaling by Insulin receptor","HIV Infection","Mitoti
c Metaphase and Anaphase","Signaling by NTRK3 (TRKC)","Insulin receptor recycling","Host Interactions of HIV factors","Mitotic Anaphase","Interactions of Vpr with host cellular proteins","Nuclear Enve
lope (NE) Reassembly","Vpr-mediated induction of apoptosis by mitochondrial outer membrane permeabilization","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ATP6V1A,PTPRS}

> <broad_moa>
{"bone resorption inhibitor"}

> <synonyms>
{"Etidronic acid",2809-21-4,2809214,etidronate,HEDP,"1-Hydroxyethylidene-1,1-diphosphonic acid","1Hydroxyethylidene1,1diphosphonic acid",EHDP,Etidronsaeure,"Acetodiphosphonic acid","Hydroxyethanedipho
sphonic acid",Didronel,"Turpinal SL","Oxyethylidenediphosphonic acid","Dequest 2015",Dequest,T0308,Etidronate}

> <pdid>
PD009821

> <targets>
{HAP,"PTPase S","V-type proton ATPase catalytic subunit"}

> <classes>
{Microbiology&Virology,Others}

> <pubchem_cids>
{3305}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10 11  2  0
 11  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10977

> <plate>
PLATE 001

> <well>
C7

> <supplier_cmpd_name>
Trans-Anethole

> <ctcr_id>
238

> <supplier_cmpd_id>
T0762

> <smiles>
COc1ccc(\C=C\C)cc1

> <pd_targets>
{KDM4E,ALDH1A1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Oxidoreductase,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Ethanol oxidation"}

> <broad_targets>
{}

> <broad_moa>
{"glutathione transferase stimulant"}

> <synonyms>
{trans-Anethole,transAnethole,4180-23-8,4180238,104-46-1,104461,(E)-Anethole,(E)Anethole,p-Propenylanisole,pPropenylanisole,4-Propenylanisole,4Propenylanisole,"Anise camphor",trans-Anethol,transAnetho
l,cis-Anethol,cisAnethol,(E)-1-Methoxy-4-(prop-1-en-1-yl)benzene,(E)1Methoxy4(prop1en1yl)benzene,Isoestragole,Anethol,Monasirup,p-Anethole,pAnethole,"Oil of aniseed",(E)-Anethol,(E)Anethol,A,T0014,T07
62,1503705,Trans-Anethole,ANETHOLE}

> <pdid>
PD000888

> <targets>
{Endogenous Metabolite}

> <classes>
{expectorant,gastric stimulant,insecticide,Metabolic Enzyme/Protease}

> <pubchem_cids>
{637563}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    3.9075   -3.7444    0.0000 C   0  0
    2.6060   -2.9986    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.7996   -1.4883    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  3  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10978

> <plate>
PLATE 001

> <well>
C8

> <supplier_cmpd_name>
Crotamiton

> <ctcr_id>
3840

> <supplier_cmpd_id>
T0376

> <smiles>
CCN(C(=O)\C=C\C)c1ccccc1C

> <pd_targets>
{CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{}

> <broad_moa>
{antipruritic}

> <synonyms>
{crotamiton,483-63-6,483636,N-Ethyl-o-crotonotoluidide,NEthylocrotonotoluidide,Crotamitone,Eurax,Crotalgin,Veteusan,Eurasil,Euraxil,trans-Crotamiton,transCrotamiton,Crotamitonum,Crotamitex,"2-Butenami
de, N-ethyl-N-(2-methylphenyl)-","2Butenamide, NethylN(2methylphenyl)",Crotonyl-N-ethyl-o-toluidine,CrotonylNethylotoluidine,124236-29-9,124236299,(E)-N-ethyl-N-(2-m,(E)NethylN(2m,T0376,SAM001246702,1
505271,Prestw-951,Crotamiton,CPD000059145,CROTAMITON}

> <pdid>
PD000529

> <targets>
{}

> <classes>
{antipruritic,scabicide}

> <pubchem_cids>
{688020}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  8  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10979

> <plate>
PLATE 001

> <well>
C9

> <supplier_cmpd_name>
Lupetidin

> <ctcr_id>
10901

> <supplier_cmpd_id>
T1007

> <smiles>
CC1CCCC(C)N1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"2,6-Dimethylpiperidine","2,6Dimethylpiperidine",Nanofin,504-03-0,504030,"2,6-Lupetidine","2,6Lupetidine",Lupetidin,Lupetidine,Naniopinum,"Piperidine, 2,6-dimethyl-","Piperidine, 2,6dimethyl",Nanophi
n,Nanophine,Nanophyn,"2,6-Dimethyl-Piperidine","2,6DimethylPiperidine","NSC 63890",UNII-329I5805BP,UNII329I5805BP,MFCD00066304,329I5805BP,Naniopine,Piperidin,T1007}

> <pdid>
PD002512

> <targets>
{AChR}

> <classes>
{Neuroscience}

> <pubchem_cids>
{68843}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
   16.8982   -0.7232    0.0000 C   0  0
   15.6002   -1.4751    0.0000 C   0  0
   14.2989   -0.7273    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.4133    1.7530    0.0000 O   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2494    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 16 20  1  0
 20 21  2  0
 21 13  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10980

> <plate>
PLATE 001

> <well>
C10

> <supplier_cmpd_name>
Piperonyl butoxide

> <ctcr_id>
10902

> <supplier_cmpd_id>
T0727

> <smiles>
CCCCOCCOCCOCc1cc2c(OCO2)cc1CCC

> <pd_targets>
{CYP3A4,ALDH1A1,TSHR,8229807,8230507,8230508,8230819,8230924,8230937,8230957,8231029,8231511,8232310,8232678,8232915,8233619,8233620,8233621,8233823,8234154,8234407,8234408,8234840,8235475,8236087,823
6088,8236100,8236974,8237447,8237618,8237795,8238085,8238086,8238343,8238380,8238404,8239920,8240195}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Cytochrome P450",Oxidoreductase,"Family A G protein-coupled receptor","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Glycohormo
ne receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP3 family","Glycoprotein hormone receptors"}

> <pathway_reactome>
{Metabolism,Disease,"Metabolism of lipids","Biological oxidations","Infectious disease","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Leishman
ia infection","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Leishmania parasite growth and survival","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infe
ction","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{"PIPERONYL BUTOXIDE",51-03-6,51036,Butacide,Piperonylbutoxide,Butocide,"Ethanol butoxide","Pyrenone 606","5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propylbenzo(d)(1,3)dioxole","5((2(2Butoxyethoxy)ethoxy
)methyl)6propylbenzo(d)(1,3)dioxole","Butyl carbitol 6-propylpiperonyl ether","Butyl carbitol 6propylpiperonyl ether","6-Propylpiperonyl butyl d","6Propylpiperonyl butyl d",T0727,"Piperonyl butoxide"}

> <pdid>
PD001237

> <targets>
{MFOs,Parasite}

> <classes>
{Others,Anti-infection}

> <pubchem_cids>
{5794}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    7.7992    0.0004    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10981

> <plate>
PLATE 001

> <well>
C11

> <supplier_cmpd_name>
2-Amino-6-methylheptane

> <ctcr_id>
1234

> <supplier_cmpd_id>
T0043

> <smiles>
CC(C)CCCC(C)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"antitumor agent"}

> <synonyms>
{Octodrine,2-Amino-6-methylheptane,2Amino6methylheptane,"2 Amino 6 methylheptane","1,5-Dimethylhexylamine","1,5Dimethylhexylamine","1,5 Dimethylhexylamine",543-82-8,543828,"543 82 8","2-Heptanamine, 6
-methyl-","2Heptanamine, 6methyl","2 Heptanami",T0043,1505447,OCTODRINE}

> <pdid>
PD000404

> <targets>
{}

> <classes>
{"anesthetic (local)",vasoconstrictor}

> <pubchem_cids>
{10982}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 12  0  0  0  0            999 V2000
    8.8933   -2.6293    0.0000 H   0  3
    6.3933   -2.6293    0.0000 Cl  0  5
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8891   -6.7578    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  3  0
  4  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10982

> <plate>
PLATE 001

> <well>
D2

> <supplier_cmpd_name>
Pargyline

> <ctcr_id>
5871

> <supplier_cmpd_id>
T0300

> <smiles>
[H+].[Cl-].CN(CC#C)Cc1ccccc1

> <pd_targets>
{MAOB,MAOA,ALDH2,TSHR,LMNA,ADRA1A,CYP3A4,ALDH1A1,BLM,PYCR1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein",Oxidoreductase,"Family A G protein-coupled receptor","Cytochrome P450","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)",
"Cytochrome P450 family 3","Glycohormone receptor","Monoamine receptor","Cytochrome P450 family 3A","Adrenergic receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Catecholamine turnover","1.-.-.- Oxidoreductases","G protein-coupled receptors","Cytochrome P450","Glycoprotein hormone receptors",Adrenoceptors,"CYP3 family"}

> <pathway_reactome>
{Metabolism,"Neuronal System",Disease,"Cell Cycle","Signal Transduction","DNA Repair","Biological oxidations","Transmission across Chemical Synapses","Infectious disease",Mitotic,"Signaling by GPCR","
Metabolism of lipids","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives","Phase I - Functionalization of compounds","Neurotransmitter clearance","Leishmania infection","M Pha
se","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Glutamate and glutamine metabolism","Amine Oxidase reactions","Serotonin clearance fro
m the synaptic cleft","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","HDR thro
ugh Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Metabolism of serotonin","Anti-inflammatory response fa
vouring Leishmania parasite infection","Mitotic Anaphase","Amine ligand-binding receptors","Biosynthesis of maresins","HDR through Homologous Recombination (HRR)","ADORA2B mediated anti-inflammatory c
ytokines production","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation"
,"Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{MAOA,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{AKOS015901137,"Pargyline hydrochloride",306-07-0,306070,"N-Methyl-N-propargylbenzylamine hydrochloride","NMethylNpropargylbenzylamine hydrochloride","Pargyline HCl",Eutonyl-ten,Eutonylten,"N-benzyl-N
-methylprop-2-yn-1-amine hydrochloride","NbenzylNmethylprop2yn1amine hydrochloride","N-Methyl-N-2-propynylbenzylamine hydrochloride","NMethylN2propynylbenzylamine hydrochloride",Par,T0300,1500462,Pres
tw-183,Pargyline,"PARGYLINE HYDROCHLORIDE"}

> <pdid>
PD009438

> <targets>
{}

> <classes>
{antihypertensive}

> <pubchem_cids>
{657188,9373}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 10  0  0  0  0            999 V2000
   13.8933   -1.8789    0.0000 H   0  3
   11.3933   -1.8789    0.0000 H   0  3
    8.8933   -1.8789    0.0000 Cl  0  5
    6.3933   -1.8789    0.0000 Cl  0  5
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10983

> <plate>
PLATE 001

> <well>
D3

> <supplier_cmpd_name>
Betahistine dihydrochloride

> <ctcr_id>
3499

> <supplier_cmpd_id>
T0246

> <smiles>
[H+].[H+].[Cl-].[Cl-].CNCCc1ccccn1

> <pd_targets>
{ALOX15,ALDH1A1,HRH3,TAAR1,HRH1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Oxidoreductase,"Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Histamine receptor","Trace amine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","G protein-coupled receptors",Lipoxygenases,"Histamine receptors","Trace amine receptor"}

> <pathway_reactome>
{Metabolism,"Signal Transduction",Disease,"Metabolism of lipids","Biological oxidations","Signaling by GPCR","Infectious disease","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I -
 Functionalization of compounds","GPCR ligand binding","Leishmania infection","Biosynthesis of DPA-derived SPMs","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth 
and survival","Biosynthesis of DPAn-3 SPMs","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3-derived protectins and resolvi
ns","Histamine receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{HRH1,HRH3}

> <broad_moa>
{"histamine receptor agonist","histamine receptor antagonist"}

> <synonyms>
{"Betahistine dihydrochloride",5579-84-0,5579840,"Betahistine hydrochloride","Betahistine 2HCl",Serc,"Betahistine HCl",Betaserc,Microser,Antivom,"2-Pyridineethanamine, N-methyl-, dihydrochloride","2Py
ridineethanamine, Nmethyl, dihydrochloride","Betahistine (dihydrochloride)",UNII-49K,UNII49K,T4195,1500670,Betahistine,"BETAHISTINE HYDROCHLORIDE"}

> <pdid>
PD009287

> <targets>
{}

> <classes>
{vasodilator}

> <pubchem_cids>
{68643,57515925}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10984

> <plate>
PLATE 001

> <well>
D4

> <supplier_cmpd_name>
Fenipentol

> <ctcr_id>
1049

> <supplier_cmpd_id>
T0857

> <smiles>
CCCCC(O)c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"choleretic agent"}

> <synonyms>
{fenipentol,1-phenylpentan-1-ol,1phenylpentan1ol,1-Phenyl-1-pentanol,1Phenyl1pentanol,583-03-9,583039,1-Phenylpentanol,1Phenylpentanol,Pancoral,"alpha-Butylbenzyl alcohol","alphaButylbenzyl alcohol",P
henylbutylcarbinol,Suiclisin,"1-Pentanol, 1-phenyl-","1Pentanol, 1phenyl",1-Phenyl-1-hydroxypentane,1Phenyl1hydroxypentane,"PH BC","Benzenemethanol, .alpha.-butyl-","Benzenemethanol, .alpha.butyl",1-H
ydrox,1Hydrox,T0857,Prestw-1501,Fenipentol}

> <pdid>
PD000822

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3338}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 68 70  0  0  1  0            999 V2000
   10.3632   13.5302    0.0000 C   0  0
    9.0643   12.7800    0.0000 C   0  0
    7.7653   13.5301    0.0000 C   0  0
    9.0636   11.2791    0.0000 C   0  0
    7.7640   10.5284    0.0000 C   0  0
    7.7634    9.0276    0.0000 C   0  0
    6.4638    8.2769    0.0000 C   0  0  1  0  0  0
    5.1649    9.0271    0.0000 C   0  0
    6.4632    6.7761    0.0000 C   0  0
    5.1636    6.0254    0.0000 C   0  0
    5.1630    4.5246    0.0000 C   0  0
    3.8634    3.7739    0.0000 C   0  0  1  0  0  0
    2.5644    4.5240    0.0000 C   0  0
    3.8627    2.2731    0.0000 C   0  0
    2.5631    1.5224    0.0000 C   0  0
    2.5625    0.0216    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2623   -2.2495    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 O   0  0
   -6.4971    0.7454    0.0000 C   0  0
   -7.7977    1.4928    0.0000 O   0  0
   -6.4945   -0.7546    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   31.0254   13.5302    0.0000 C   0  0
   29.7265   12.7800    0.0000 C   0  0
   28.4276   13.5301    0.0000 C   0  0
   29.7259   11.2791    0.0000 C   0  0
   28.4263   10.5284    0.0000 C   0  0
   28.4257    9.0276    0.0000 C   0  0
   27.1261    8.2769    0.0000 C   0  0  2  0  0  0
   25.8271    9.0271    0.0000 C   0  0
   27.1255    6.7761    0.0000 C   0  0
   25.8259    6.0254    0.0000 C   0  0
   25.8252    4.5246    0.0000 C   0  0
   24.5256    3.7739    0.0000 C   0  0  2  0  0  0
   23.2267    4.5240    0.0000 C   0  0
   24.5250    2.2731    0.0000 C   0  0
   23.2254    1.5224    0.0000 C   0  0
   23.2248    0.0216    0.0000 C   0  0
   21.9613   -0.7500    0.0000 C   0  0  1  0  0  0
   21.9246   -2.2495    0.0000 C   0  0
   21.9613    0.7500    0.0000 C   0  0
   20.6623    1.5000    0.0000 C   0  0
   19.3632    0.7500    0.0000 C   0  0
   18.0642    1.5000    0.0000 C   0  0
   18.0642    3.0000    0.0000 C   0  0
   16.7651    0.7500    0.0000 C   0  0
   15.4638    1.4977    0.0000 O   0  0
   14.1652    0.7454    0.0000 C   0  0
   12.8646    1.4928    0.0000 O   0  0
   14.1678   -0.7546    0.0000 C   0  0
   16.7652   -0.7500    0.0000 C   0  0
   15.4661   -1.5000    0.0000 C   0  0
   18.0642   -1.5000    0.0000 C   0  0
   18.0642   -3.0000    0.0000 C   0  0
   19.3632   -0.7500    0.0000 C   0  0
   20.6623   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  6
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 24 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33 21  1  0
 33 34  1  0
 34 17  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  1
 41 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  1
 46 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  1
 51 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  2  0
 56 57  1  0
 56 58  1  0
 58 59  1  0
 59 60  1  0
 60 61  2  0
 60 62  1  0
 58 63  2  0
 63 64  1  0
 63 65  1  0
 65 66  1  0
 65 67  2  0
 67 55  1  0
 67 68  1  0
 68 51  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10985

> <plate>
PLATE 001

> <well>
D5

> <supplier_cmpd_name>
Vitamin E Acetate

> <ctcr_id>
15965

> <supplier_cmpd_id>
T1016

> <smiles>
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1.CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@]3(C)CCc4c(C)c(OC(=O)C)c(C)c(C)c4O3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Vitamin E acetate",HY-B1278A,"DL-±-Tocopherol acetate","DL-±-Tocopherol acetate"}

> <pdid>
PD001953

> <targets>
{Endogenous Metabolite}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
.

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  0  0            999 V2000
   -6.5359  -15.7399    0.0000 C   0  0
   -6.5355  -14.2399    0.0000 C   0  0
   -7.8347  -13.4901    0.0000 C   0  0
   -5.2361  -13.4889    0.0000 C   0  0
   -5.2358  -11.9881    0.0000 C   0  0
   -3.9364  -11.2372    0.0000 C   0  0
   -3.9361   -9.7363    0.0000 C   0  0
   -5.2352   -8.9865    0.0000 C   0  0
   -2.6366   -8.9854    0.0000 C   0  0
   -2.6363   -7.4845    0.0000 C   0  0
   -1.3369   -6.7336    0.0000 C   0  0
   -1.3366   -5.2327    0.0000 C   0  0
   -2.6357   -4.4829    0.0000 C   0  0
   -0.0372   -4.4818    0.0000 C   0  0
   -0.0368   -2.9810    0.0000 C   0  0
    1.2626   -2.2300    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5793    0.0316    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  2  0
 30 21  1  0
 30 31  1  0
 31 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10986

> <plate>
PLATE 001

> <well>
D6

> <supplier_cmpd_name>
Vitamin E

> <ctcr_id>
1544

> <supplier_cmpd_id>
T1648

> <smiles>
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1

> <pd_targets>
{MAPT,TTPA,KMT2A,MEN1,GSTP1,LMNA,CAT}

> <pathway_gtopdb>
{"Other cytosolic protein","Unclassified protein","Epigenetic regulator",Enzyme,"Other nuclear protein",Reader,Transferase,Oxidoreductase,Bromodomain}

> <pathway_chembl>
{Enzymes,"1.-.-.- Oxidoreductases"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs",Metabolism,"Cell Cycle","Gene expression (Transcription)","Metabolism of vitamins and cofactors","Biological oxidations",Mitotic,"RNA Polym
erase II Transcription","Metabolism of fat-soluble vitamins","Phase II - Conjugation of compounds","M Phase","Generic Transcription Pathway","Vitamin E","Glutathione conjugation","Mitotic Metaphase an
d Anaphase","FOXO-mediated transcription","Mitotic Anaphase","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear 
Envelope (NE) Reformation"}

> <broad_targets>
{ALOX5,DGKA,NR1I2,PPP2CA,PPP2CB,PRKCA,PRKCB,SEC14L2,SEC14L3,SEC14L4}

> <broad_moa>
{"LDL oxidation inhibitor","PKC inhibitor"}

> <synonyms>
{LPHATOCHOPHERO,DL-ALPHA-TOCOPHEROL,DLALPHATOCOPHEROL,10191-41-0,10191410,"VITAMIN E",alpha-tochopherol,alphatochopherol,all-rac-alpha-Tocopherol,allracalphaTocopherol,(+-)-alpha-Tocopherol,(+)alphaTo
copherol,UNII-7QWA1RIO01,UNII7QWA1RIO01,"2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol","2,5,7,8tetramethyl2(4,8,12trimethyltridecyl)3,4dihydrochromen6ol",7QWA1RIO01,CHEMBL4
9563,.alpha.-Tocophe,.alpha.Tocophe,T1648,TMA2394,310039,"Vitamin E",DL-±-Tocopherol,alpha-TOCHOPHEROL}

> <pdid>
PD001954

> <targets>
{}

> <classes>
{"vitamin E"}

> <pubchem_cids>
{2116}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    1.2956   -3.7547    0.0000 C   0  0
    1.2951   -5.2547    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10987

> <plate>
PLATE 001

> <well>
D7

> <supplier_cmpd_name>
Corvotone

> <ctcr_id>
10904

> <supplier_cmpd_id>
T0048

> <smiles>
CCN(CC)C(=O)c1cnccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{immunostimulant}

> <synonyms>
{Nikethamide,"N,N-DIETHYLNICOTINAMIDE","N,NDIETHYLNICOTINAMIDE",59-26-7,59267,Nicethamide,Anacardone,"3-Pyridinecarboxamide, N,N-diethyl-","3Pyridinecarboxamide, N,Ndiethyl",Coramine,Corvotone,Nikethy
l,Corvin,Anacordone,Carbamidal,Nicamide,Nicetamide,Nicorine,Pyricardyl,Niamine,Camphozone,Canfodiamina,Cardiamid,T0048}

> <pdid>
PD000180

> <targets>
{GABAR}

> <classes>
{"Membrane transporter/Ion channel",Neuroscience}

> <pubchem_cids>
{5497}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  6  5  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 S   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.1992    0.0004    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10988

> <plate>
PLATE 001

> <well>
D8

> <supplier_cmpd_name>
Dithiopropanol

> <ctcr_id>
10905

> <supplier_cmpd_id>
T0781

> <smiles>
OCC(S)CS

> <pd_targets>
{HTT,ALDH1A1,FFP,HSD17B10,NR1I2,LMNA,CYP1A2,TDP1,RORC}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Transcription factor","Other nuclear protein",Oxidoreductase,Transferase,"Nuclear receptor","Cytochrome P450",Hydrolase,"Nuclear hormone receptor subfamily 1","Cytochro
me P450 family 1","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group I member 2","Cyt
ochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","1I. Vitamin D receptor-like receptors","CYP1 family","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Metabolism of proteins","Cell Cycle","DNA Repair","RNA Polymerase II Transcription","Biological oxidations","Metabolism of amino acids and derivatives","
Post-translational protein modification",Mitotic,"DNA Double-Strand Break Repair","Generic Transcription Pathway","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism",SUMO
ylation,"M Phase","Nonhomologous End-Joining (NHEJ)","Transcriptional Regulation by MECP2","Ethanol oxidation","SUMO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaphase","Cytochrome 
P450 - arranged by substrate type","Transcriptional regulation by RUNX3","Regulation of MECP2 expression and activity","SUMOylation of intracellular receptors","Mitotic Anaphase",Xenobiotics,"RUNX3 Re
gulates Immune Response and Cell Migration","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"chelating agent"}

> <synonyms>
{DIMERCAPROL,"2,3-Dimercapto-1-propanol","2,3Dimercapto1propanol",59-52-9,59529,"2,3-Dimercaptopropanol","2,3Dimercaptopropanol",Dithioglycerine,Sulfactin,Dicaptol,dimercaptopropanol,"2,3-Dithiopropan
ol","2,3Dithiopropanol","British Anti-Lewisite","British AntiLewisite","1,2-Dithioglycerol","1,2Dithioglycerol","British antilewisite",1-Propanol,1Propanol,2,3-dimerca,3dimerca,T0781,Dithiopropanol}

> <pdid>
PD002368

> <targets>
{Cadmium,Mercury,Others}

> <classes>
{Others}

> <pubchem_cids>
{3080}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10989

> <plate>
PLATE 001

> <well>
D9

> <supplier_cmpd_name>
Phenethyl alcohol

> <ctcr_id>
1904

> <supplier_cmpd_id>
T0011

> <smiles>
OCCc1ccccc1

> <pd_targets>
{TAAR1,CYP2A5,ADRA1A,HTR2A,HTR1A,HTR1B,HTR1D,HTR1F,HTR2B,HTR2C,HTR3A,HTR3B,HTR4,HTR5A,HTR5B,HTR6,HTR7,CYP2A6,PRSS1,TAAR4,LOXL2}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Trace amine receptor",Enzyme,"Cytochrome P450",Protease,Oxidoreductase,"Cytoc
hrome P450 family 2","Serine protease","Cytochrome P450 family 2A","Serine protease PA clan","Cytochrome P450 2A5","Adrenergic receptor","Serotonin receptor","Cytochrome P450 2A6","Serine protease S1A
 subfamily"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Trace amine receptor",Enzymes,"Cytochrome P450","Peptidases and proteinases","1.4.3.13 Lysyl oxidases",Adrenoceptors,"5-Hydroxytryptamine receptors","CYP2 fam
ily: drug metabolising subset","PA: Serine (S) Peptidases","Orphan and other 7TM receptors","S1: Chymotrypsin","Class A Orphans"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production","Signal Transduction",Metabolism,"Extracellular matrix organization","Signaling by GPCR","Biological oxidations","Metabolism of vitamins and cofactors","Collagen formation","GPCR
 ligand binding","Phase I - Functionalization of compounds","Metabolism of water-soluble vitamins and cofactors","Assembly of collagen fibrils and other multimeric structures","Class A/1 (Rhodopsin-li
ke receptors)","Cytochrome P450 - arranged by substrate type","Cobalamin (Cbl","vitamin B12) transport and metabolism","Crosslinking of collagen fibrils","Amine ligand-binding receptors",Xenobiotics,A
drenoceptors,"Serotonin receptors","CYP2E1 reactions"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{2-PHENYLETHANOL,2PHENYLETHANOL,"Phenethyl alcohol","Phenylethyl alcohol",Benzeneethanol,60-12-8,60128,Phenylethanol,"Benzyl carbinol",Phenethanol,"2-Phenylethyl alcohol","2Phenylethyl alcohol",2-PHEN
YL-ETHANOL,beta-Phenylethanol,betaPhenylethanol,2-Phenylethan-1-Ol,2Phenylethan1Ol,"2-Phenethyl alcohol","2Phenethyl alcohol",Benzylm,T0011,T2935,1505398,Phenethylamine,"PHENYLETHYL ALCOHOL"}

> <pdid>
PD000510

> <targets>
{}

> <classes>
{antimicrobial}

> <pubchem_cids>
{6054}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  4  3  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.8993    0.7496    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10990

> <plate>
PLATE 001

> <well>
D10

> <supplier_cmpd_name>
2-Aminoethanethiol

> <ctcr_id>
10906

> <supplier_cmpd_id>
T1080

> <smiles>
NCCS

> <pd_targets>
{QPCT,TSHR,CYP3A4,MAPT,ALDH1A1,BLM,FFP,LMNA,ALD,NPY2R}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein","Other nuclear protein",Aminoacyltransferase,"Family A G protein-coupled receptor","Cytochrome P450",Oxidoreductase,Transferase,"Peptide receptor 
(family A GPCR)","Cytochrome P450 family 3","Glycohormone receptor","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","Cytochrome P450 3A4","Neuropeptide Y receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","G protein-coupled receptors","Cytochrome P450","MH: Metallo (M) Peptidases","Glycoprotein hormone receptors","CYP3 family","Neuropeptide Y receptors","
M28: Aminopeptidase Y"}

> <pathway_reactome>
{"Immune System",Disease,Metabolism,"Neuronal System","DNA Repair","Cell Cycle","Signal Transduction","Innate Immune System","Infectious disease","Metabolism of lipids","Transmission across Chemical S
ynapses","Biological oxidations","DNA Double-Strand Break Repair",Mitotic,"Signaling by GPCR","Neutrophil degranulation","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPM
s)","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Homology Directed Repair","M Phase","GPCR ligand binding","Leishmania parasite growth 
and survival","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)
","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","Post NMDA receptor activation
 events","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Peptide ligand-binding receptors","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs
","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","Presynaptic phase of homologous DNA pairing and strand exchange","Initiatio
n of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{NPY2R,SST}

> <broad_moa>
{"tissue transglutaminase inhibitor"}

> <synonyms>
{AMINOETHANETHIO,CYSTEAMINE,2-Aminoethanethiol,2Aminoethanethiol,Mercaptamine,60-23-1,60231,Thioethanolamine,Becaptan,Mercamine,Cysteinamine,beta-Mercaptoethylamine,betaMercaptoethylamine,2-Mercaptoet
hylamine,2Mercaptoethylamine,Cysteamin,Lambraten,Lambratene,beta-Aminoethanethiol,betaAminoethanethiol,Cystagon,Riacon,Decarboxycysteine,Merc,T1080}

> <pdid>
PD000789

> <targets>
{Cystine,NPYR2,"Somatostatin Receptor"}

> <classes>
{"GPCR/G Protein",Others,Proteases/Proteasome}

> <pubchem_cids>
{6058}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11  9  0  0  0  0            999 V2000
   10.2999    1.1254    0.0000 Cl  0  5
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 N   0  3
    7.7992    0.0004    0.0000 C   0  0
    7.7989    1.5002    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
M  CHG  2   1  -1   8   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10991

> <plate>
PLATE 001

> <well>
D11

> <supplier_cmpd_name>
Acetylcholine chloride

> <ctcr_id>
4120

> <supplier_cmpd_id>
T1221

> <smiles>
[Cl-].CC(=O)OCC[N+](C)(C)C

> <pd_targets>
{POLB,NFO,CHRNA4,BLM}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Hydrolase,"Ligand-gated ion channel","Nicotinic acetylcholine receptor","Nicotinic acetylcholine receptor alpha subunit"}

> <pathway_chembl>
{"Ion channels","Ligand-gated ion channels","Nicotinic acetylcholine receptors"}

> <pathway_reactome>
{"DNA Repair","Neuronal System","Base Excision Repair","Transmission across Chemical Synapses","DNA Double-Strand Break Repair","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and 
postsynaptic signal transmission","Homology Directed Repair","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Acetylcholine binding and downstream events","HDR through H
omologous Recombination (HRR) or Single Strand Annealing (SSA)","PCNA-Dependent Long Patch Base Excision Repair","Postsynaptic nicotinic acetylcholine receptors","HDR through Homologous Recombination 
(HRR)","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ACHE,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,CHRNA2}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{"ACETYLCHOLINE CHLORIDE",60-31-1,60311,Miochol,Acecoline,"ACH chloride",Chloroacetylcholine,Arterocoline,Acecholin,Ovisot,Azetylcholinchlorid,"Acetylcholine (chloride)","2-(Acetyloxy)-N,N,N-trimethyl
ethanaminium chloride","2(Acetyloxy)N,N,Ntrimethylethanaminium chloride",MIOCHOL-E,MIOCHOLE,Acetylcholinium,T1221,S1805,SAM002548945,1500104,"Acetylcholine chloride","Acetylcholine Chloride",CPD000059
182,ACETYLCHOLINE}

> <pdid>
PD009386

> <targets>
{AChR,Calcium Channel,Endogenous Metabolite,nAChR}

> <classes>
{Neuronal Signaling,vasodilator (peripheral),antiarrhythmic,miotic,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease}

> <pubchem_cids>
{6060}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
   12.9943   -3.0183    0.0000 C   0  0
   11.6940   -3.7662    0.0000 C   0  0
   10.3950   -3.0145    0.0000 C   0  0
    9.0941   -3.7628    0.0000 C   0  0
    7.7951   -3.0111    0.0000 C   0  0
    7.7939   -1.5103    0.0000 C   0  0
    9.0919   -0.7585    0.0000 C   0  0
    6.4941   -3.7594    0.0000 C   0  0
    5.1951   -3.0077    0.0000 O   0  0
    3.8941   -3.7560    0.0000 C   0  0
    3.8922   -5.2560    0.0000 O   0  0
    2.5951   -3.0043    0.0000 C   0  0
    2.5971   -1.5036    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7569    0.0000 C   0  0
    3.9042    0.7432    0.0000 C   0  0
    5.2057    1.4888    0.0000 C   0  0
    6.5022    0.7345    0.0000 C   0  0
    6.4972   -0.7655    0.0000 C   0  0
    5.1957   -1.5111    0.0000 C   0  0
    1.2941   -3.7526    0.0000 C   0  0
   -0.0061   -4.5005    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 13 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 12 26  1  0
 26 27  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10992

> <plate>
PLATE 001

> <well>
E2

> <supplier_cmpd_name>
Octocrilene

> <ctcr_id>
10907

> <supplier_cmpd_id>
T0402

> <smiles>
CCCCC(CC)COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N

> <pd_targets>
{ALDH1A1,RORC,LMNA,LEF}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other nuclear protein",Oxidoreductase,"Nuclear receptor",Protease,"Nuclear hormone receptor subfamily 1","Cysteine protease","Metallo protease","Nuclear hormone recepto
r subfamily 1 group F","Cysteine protease CA clan","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C1A family","Metallo protease M34 family"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Cell Cycle",Disease,"Biological oxidations","RNA Polymerase II Transcription",Mitotic,"Infectious disease","Phase I - Functionalization of compounds","Ge
neric Transcription Pathway","M Phase","Uptake and actions of bacterial toxins","Ethanol oxidation","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Uptake and function of anthr
ax toxins","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Octocrylene,6197-30-4,6197304,"2-Ethylhexyl 2-cyano-3,3-diphenylacrylate","2Ethylhexyl 2cyano3,3diphenylacrylate",Octocrilene,"2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester","2Propenoic
 acid, 2cyano3,3diphenyl, 2ethylhexyl ester","2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate","2ethylhexyl 2cyano3,3diphenylprop2enoate","2-Cyano-3,3-diphenylacrylic Acid 2-Ethylhexyl Ester","2Cyano3,
3diphenylacrylic Acid 2Ethylhexyl Ester",T0402}

> <pdid>
PD000150

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{22571}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2973   -2.2519    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10993

> <plate>
PLATE 001

> <well>
E3

> <supplier_cmpd_name>
Clofibrate

> <ctcr_id>
6490

> <supplier_cmpd_id>
T1298

> <smiles>
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1

> <pd_targets>
{PPARA,FABP1,CYP1A2,CYP3A4,TSHR,PMP22,CHRM1,FTL,ABCB11,AMPC}

> <pathway_gtopdb>
{"Transcription factor","Auxiliary transport protein",Enzyme,"Membrane receptor","Unclassified protein",Transporter,"Nuclear receptor","Fatty acid binding protein family","Cytochrome P450","Family A G
 protein-coupled receptor","Primary active transporter",Hydrolase,"Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Small
 molecule receptor (family A GPCR)","ATP-binding cassette","Nuclear hormone receptor subfamily 1 group C","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Glycohormone receptor","Monoamine rec
eptor","ABCB subfamily","Nuclear hormone receptor subfamily 1 group C member 1","Cytochrome P450 1A1","Cytochrome P450 3A4","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"Other protein targets",Enzymes,Transporters,"Nuclear hormone receptors","Fatty acid-binding proteins","Cytochrome P450","G protein-coupled receptors","ATP-binding cassette transporter fami
ly","1C. Peroxisome proliferator-activated receptors","CYP1 family","CYP3 family","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Developmental Biology","Signal Transduction","Vesicle-mediated transport","Metabolism of lipids","Biological oxidations","Infectious disease","Nervous system development","Signali
ng by GPCR","Membrane Trafficking","Metabolism of steroids","Regulation of lipid metabolism by PPARalpha","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators
 (SPMs)","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","trans-Golgi Network Vesicle Budding","Regulation of cholesterol biosynthesis by 
SREBP (SREBF)","PPARA activates gene expression","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like 
receptors)","Golgi Associated Vesicle Biogenesis","Bile acid and bile salt metabolism","Activation of gene expression by SREBF (SREBP)",Xenobiotics,"Biosynthesis of maresins","Anti-inflammatory respon
se favouring Leishmania parasite infection","Amine ligand-binding receptors","Synthesis of bile acids and bile salts","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis o
f maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{LPL,PPARA}

> <broad_moa>
{"PPAR receptor agonist"}

> <synonyms>
{clofibrate,Sklero,"Dura clofibrat",Sklero-Tablinen,SkleroTablinen,neo-Atomid,neoAtomid,Neo-Atromid,NeoAtromid,"Atromid S","Claripex CPIB",Clobren-SF,ClobrenSF,ELPI,Cinnarizin,Cloberat,Misclerone,Norm
olipol,Robigram,Skerolip,Artevil,Negalip,Normet,Recolip,Scrobin,Yoclo,Sklero-tabuls,Sklerotabuls,Regela,T1298,1503429,Prestw-1383,Clofibrate,CLOFIBRATE}

> <pdid>
PD001476

> <targets>
{}

> <classes>
{antihyperlipidemic}

> <pubchem_cids>
{2796}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  4  3  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.5993    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10994

> <plate>
PLATE 001

> <well>
E4

> <supplier_cmpd_name>
Dimethyl sulfoxide

> <ctcr_id>
10908

> <supplier_cmpd_id>
T0341

> <smiles>
CS(C)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"dimethyl sulfoxide",DMSO,67-68-5,67685,"Methyl sulfoxide",Methylsulfinylmethane,Dimethylsulfoxide,"Dimethyl sulphoxide","Methane, sulfinylbis-","Methane, sulfinylbis",Demsodrox,Demasorb,Demavet,Dime
xide,Domoso,Dromisol,Durasorb,Infiltrina,Somipront,Syntexan,Delt,T0341,"Dimethyl sulfoxide"}

> <pdid>
PD009810

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{679}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  6  6  0  0  0  0            999 V2000
    1.6317   -2.2458    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 N   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10995

> <plate>
PLATE 001

> <well>
E5

> <supplier_cmpd_name>
4-Methylpyrazole

> <ctcr_id>
4704

> <supplier_cmpd_id>
T0765

> <smiles>
Cc1c[nH]nc1

> <pd_targets>
{PMP22,APEX1,LMNA,ADH1A,ADH1B,ADH1C,CAT}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein",Enzyme,"Other nuclear protein","Family A G protein-coupled receptor",Oxidoreductase,"Small molecule receptor (family A GPCR)","Monoamine-derivative receptor
 (family A GPCR)","Melatonin receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","1.-.-.- Oxidoreductases","Receptor guanylyl cyclase (RGC) family","Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase"}

> <pathway_reactome>
{"Developmental Biology","DNA Repair","Cell Cycle",Metabolism,"Gene expression (Transcription)","Nervous system development","Base Excision Repair",Mitotic,"Biological oxidations","RNA Polymerase II T
ranscription","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Resolution of Abasic Sites (AP sites)","M Phase","Phase I - Functionalization of compounds","Generic Transcription Pathw
ay","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Mitotic Metaphase and Anaphase","Ethanol oxidation","FOXO-mediated transcription","PCNA-Dependent Long Patch Base Ex
cision Repair","Mitotic Anaphase","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADH1A,ADH1B,ADH1C,AKR1A1,CAT}

> <broad_moa>
{"alcohol dehydrogenase inhibitor"}

> <synonyms>
{4-Methylpyrazole,4Methylpyrazole,fomepizole,4-Methyl-1H-pyrazole,4Methyl1Hpyrazole,7554-65-6,7554656,Antizol,4-Methylpyrazol,4Methylpyrazol,"1H-Pyrazole, 4-methyl-","1HPyrazole, 4methyl",Fomepizol,Fo
mepizolum,"Fomepizol (INN-Spanish)","Fomepizol (INNSpanish)","Fomepizolum (INN-Latin)","Fomepizolum (INNLatin)",Antizol-vet,Antizolvet,"4-methyl pyrazole","4methyl pyrazole","PYRAZOLE, 4-METHYL-","PYR
AZOLE, 4METHYL",UNII-83,UNII83,T0765,Prestw-1499,Fomepizole}

> <pdid>
PD000178

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3406}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5800   -0.0304    0.0000 C   0  0
    1.2638    2.2496    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3164   -2.2191    0.0000 C   0  0
   -1.3163   -2.2193    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  2  1  0
  9 10  1  0
  9 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10996

> <plate>
PLATE 001

> <well>
E6

> <supplier_cmpd_name>
Pempidine

> <ctcr_id>
10909

> <supplier_cmpd_id>
T0296

> <smiles>
CN1C(C)(C)CCCC1(C)C

> <pd_targets>
{TSHR,NFKB1}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Glycohormone receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Glycoprotein hormone receptors"}

> <pathway_reactome>
{Disease,"Immune System","Infectious disease","Cytokine Signaling in Immune system","Leishmania infection","Signaling by Interleukins","Leishmania parasite growth and survival","Interleukin-1 family s
ignaling","Anti-inflammatory response favouring Leishmania parasite infection","Interleukin-1 signaling","ADORA2B mediated anti-inflammatory cytokines production","MAP3K8 (TPL2)-dependent MAPK1/3 acti
vation"}

> <broad_targets>
{}

> <broad_moa>
{"ganglionic blocker"}

> <synonyms>
{Pempidine,"1,2,2,6,6-Pentamethylpiperidine","1,2,2,6,6Pentamethylpiperidine",79-55-0,79550,Pyrilene,Perolysen,Tenormal,"PIPERIDINE, 1,2,2,6,6-PENTAMETHYL-","PIPERIDINE, 1,2,2,6,6PENTAMETHYL","1,2,2,6
,6-Pentamethyl-piperidine",UNII-N5I18JI9D6,UNIIN5I18JI9D6,"M+B 4486",N5I18JI9D6,MFCD00006493,"N-Methyl-2,2,6,6-Tetramethylpiperidine","NMethyl2,2,6,6Tetramethylpiperidine",T0296}

> <pdid>
PD012002

> <targets>
{Nicotinic Receptor,ganglion,Others}

> <classes>
{Neuroscience,Others}

> <pubchem_cids>
{6603}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 38  0  0  0  0            999 V2000
   35.0980   -0.6915    0.0000 C   0  0
   33.8001   -1.4434    0.0000 C   0  0
   32.4988   -0.6956    0.0000 C   0  0
   31.2001   -1.4479    0.0000 C   0  0
   29.8988   -0.7002    0.0000 C   0  0
   28.6001   -1.4524    0.0000 C   0  0
   27.2988   -0.7047    0.0000 C   0  0
   26.0001   -1.4570    0.0000 C   0  0
   24.6988   -0.7092    0.0000 C   0  0
   23.4002   -1.4615    0.0000 C   0  0
   22.0989   -0.7138    0.0000 C   0  0
   20.8002   -1.4660    0.0000 C   0  0
   19.4989   -0.7183    0.0000 C   0  0
   18.2002   -1.4705    0.0000 C   0  0
   16.8989   -0.7228    0.0000 C   0  0
   15.6002   -1.4751    0.0000 C   0  0
   15.6028   -2.9751    0.0000 O   0  0
   14.2989   -0.7273    0.0000 O   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
   10.4029   -2.9841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3164   -2.2191    0.0000 C   0  0
   -1.3163   -2.2193    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  3
 31 32  1  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 30  1  0
 36 37  1  0
 36 38  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10997

> <plate>
PLATE 001

> <well>
E7

> <supplier_cmpd_name>
Retinol palmitate

> <ctcr_id>
15977

> <supplier_cmpd_id>
T1059

> <smiles>
CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Vitamin A palmitate","Retinol palmitate",HY-B1384,"Retinyl palmitate","Retinyl palmitate"}

> <pdid>
PD000979

> <targets>
{Endogenous Metabolite}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
.

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 13  0  0  1  0            999 V2000
    2.6000   -1.5000    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3011   -0.7502    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0  1  0  0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 N   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10998

> <plate>
PLATE 001

> <well>
E8

> <supplier_cmpd_name>
Dexpanthenol

> <ctcr_id>
1329

> <supplier_cmpd_id>
T1437

> <smiles>
CC(C)(CO)[C@@H](O)C(=O)NCCCO

> <pd_targets>
{AMPC}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{s4695,SBB012405,AKOS015841507,AKOS015901947,Dexpanthenol,D-Panthenol,DPanthenol,81-13-0,81130,Pantothenol,Ilopan,"D-Pantothenyl alcohol","DPantothenyl alcohol",Bepanthen,(+)-Panthenol,(+)Panthenol,Be
panthene,Bepantol,Pantol,"Provitamin B",Panthoderm,Thenalton,Motilyn,Panadon,Zentinic,Cozyme,T1437,T1390,Prestw-22,Panthenol,"Panthenol (D)"}

> <pdid>
PD000345

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{131204}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 34  0  0  1  0            999 V2000
   11.6676  -18.7804    0.0000 C   0  0
   11.6698  -17.2804    0.0000 C   0  0
   12.9701  -16.5327    0.0000 C   0  0
   10.3716  -16.5273    0.0000 C   0  0
   10.3737  -15.0265    0.0000 C   0  0
    9.0755  -14.2734    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0  1  0  0  0
   10.3780  -12.0249    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0  1  0  0  0
    7.7858   -7.5171    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 21  1  0
 32 33  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
10999

> <plate>
PLATE 001

> <well>
E9

> <supplier_cmpd_name>
Vitamin K1

> <ctcr_id>
2261

> <supplier_cmpd_id>
T1075

> <smiles>
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O

> <pd_targets>
{GGCX,BGLAP,AMPC,FTL,TGR}

> <pathway_gtopdb>
{Enzyme,Lyase,"Unclassified protein",Hydrolase}

> <pathway_chembl>
{Enzymes,"Carboxylases and decarboxylases",Carboxylases}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Diseases of hemostasis","RNA Polymerase II Transcription","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Generic Transcript
ion Pathway","Defective factor IX causes hemophilia B","Transcriptional regulation by RUNX2","Defective gamma-carboxylation of F9","RUNX2 regulates bone development","RUNX2 regulates osteoblast differ
entiation","Vesicle-mediated transport","Membrane Trafficking","trans-Golgi Network Vesicle Budding","Golgi Associated Vesicle Biogenesis"}

> <broad_targets>
{BGLAP,GGCX}

> <broad_moa>
{}

> <synonyms>
{Phylloquinone,"Vitamin K1",phytonadione,84-80-0,84800,Phytomenadione,Phytylmenadione,3-Phytylmenadione,3Phytylmenadione,Phyllochinon,"2-Methyl-3-phytyl-1,4-naphthoquinone","2Methyl3phytyl1,4naphthoqu
inone",alpha-Phylloquinone,alphaPhylloquinone,"Antihemorrhagic vitamin",VitaminK1,Fitomenadiona,Phyllochinonum,Phytonad,T1075,1505485,PHYTONADIONE}

> <pdid>
PD000381

> <targets>
{Endogenous Metabolite}

> <classes>
{vitamin,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5284607}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 32  0  0  1  0            999 V2000
    2.5987   -1.5004    0.0000 C   0  0  2  0  0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
    2.7343   -2.9815    0.0000 O   0  0
    4.2010   -3.2956    0.0000 C   0  0  1  0  0  0
    4.9531   -1.9978    0.0000 C   0  0  2  0  0  0
    3.9511   -0.8815    0.0000 C   0  0  1  0  0  0
    4.2566    0.5871    0.0000 O   0  0
    6.4451   -1.8434    0.0000 O   0  0
    4.8054   -4.6666    0.0000 C   0  0
    3.9196   -5.8781    0.0000 O   0  0
    4.5250   -7.2514    0.0000 P   0  0
    6.0162   -7.4132    0.0000 O   0  0
    3.6391   -8.4629    0.0000 O   0  0
    4.2446   -9.8362    0.0000 P   0  0
    5.1305   -8.6258    0.0000 O   0  0
    3.3587  -11.0477    0.0000 O   0  0
    3.9642  -12.4210    0.0000 C   0  0
    3.0783  -13.6326    0.0000 C   0  0
    3.6838  -15.0058    0.0000 N   0  3
    2.7984  -16.2167    0.0000 C   0  0
    5.1750  -15.1676    0.0000 C   0  0
    4.2895  -16.3781    0.0000 C   0  0
    5.7358   -9.9980    0.0000 O   0  5
    5.4109   -6.0410    0.0000 O   0  5
    8.9458   -7.4392    0.0000 Na  0  3
  1  2  1  1
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  6  9  1  0
  1 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  1  1  0
 13 14  1  6
 12 15  1  6
 11 16  1  1
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 21 30  1  0
 18 31  1  0
M  CHG  4  26   1  30  -1  31  -1  32   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11000

> <plate>
PLATE 001

> <well>
E10

> <supplier_cmpd_name>
Citicoline

> <ctcr_id>
11027

> <supplier_cmpd_id>
T0136

> <smiles>
[C@@H]1(n2c(=O)nc(cc2)N)O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OCC[N+](C)(C)C)[O-])[O-].[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"CITICOLINE SODIUM",33818-15-4,33818154,"IP 302 sodium","Citicoline sodium salt",CDP-choline,CDPcholine,UNII-7XQ5AKD9YD,UNII7XQ5AKD9YD,citicoline,7XQ5AKD9YD,"Citicoline sodium (USAN)",MLS000028567,MF
CD00150508,CDP-cholin,CDPcholin,SMR000058983,DSSTox_CID_25760,DSSToxCID25760,DSSTox-CID-25760,"DSSTox CID 25760",DSSTox_RID_81103,DSSToxRID81103,DSSTox-RID-81103,"DSSTox RID 81103",DS,T1208,"Citicolin
e sodium"}

> <pdid>

> <targets>
{phosphatidylcholine}

> <classes>
{Others}

> <pubchem_cids>
{36605}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

122134  0  0  1  0            999 V2000
   -5.0945   -2.5623    0.0000 Cl  0  0
   -3.8000   -3.3200    0.0000 C   0  0
   -2.5000   -2.5900    0.0000 C   0  0
   -2.5000   -1.0300    0.0000 O   0  0
   -1.2300   -0.2800    0.0000 C   0  0
   -1.2300    1.2100    0.0000 C   0  0
   -2.7084    0.9488    0.0000 O   0  0
   -3.6741    2.0977    0.0000 C   0  0  2  0  0  0
   -3.1595    3.5068    0.0000 O   0  0
   -4.1224    4.6569    0.0000 C   0  0  1  0  0  0
   -5.5999    4.3981    0.0000 C   0  0  1  0  0  0
   -6.5628    5.5483    0.0000 O   0  0
   -6.1145    2.9892    0.0000 C   0  0  2  0  0  0
   -7.5920    2.7303    0.0000 O   0  0
   -5.1516    1.8390    0.0000 C   0  0  1  0  0  0
   -6.1200    0.6924    0.0000 N   0  0
   -5.6121   -0.7199    0.0000 C   0  0
   -4.1359   -0.9856    0.0000 O   0  0
   -6.5805   -1.8665    0.0000 C   0  0
   -6.0727   -3.2787    0.0000 C   0  0
   -7.0411   -4.4253    0.0000 C   0  0
   -6.5332   -5.8376    0.0000 C   0  0
   -7.5016   -6.9842    0.0000 C   0  0
   -6.9937   -8.3965    0.0000 C   0  0
   -7.9621   -9.5431    0.0000 C   0  0
   -7.4542  -10.9554    0.0000 C   0  0
   -8.4226  -12.1019    0.0000 C   0  0
   -7.9150  -13.5135    0.0000 C   0  0
   -9.8989  -11.8363    0.0000 C   0  0
   -4.1238    6.1578    0.0000 C   0  0
   -4.9900    6.6575    0.0000 O   0  0
   -3.2581    6.6583    0.0000 O   0  0
    0.0200    1.9600    0.0000 C   0  0
    0.0200    3.4200    0.0000 O   0  0
    0.0200    4.9100    0.0000 C   0  0
    1.3400    5.6900    0.0000 C   0  0
    1.3000    7.2400    0.0000 C   0  0
    0.0000    7.9400    0.0000 C   0  0
    0.0000    9.4000    0.0000 C   0  0
    1.0900   10.2200    0.0000 C   0  0  1  0  0  0
    1.0900   13.2800    0.0000 N   0  0
    2.5600   14.5600    0.0000 C   0  0
    3.7667   13.6691    0.0000 O   0  0
    3.1900   15.9800    0.0000 C   0  0  2  0  0  0
    4.7900   15.9800    0.0000 C   0  0
    4.8400   14.4000    0.0000 C   0  0
    6.1400   13.6700    0.0000 C   0  0
    6.0900   12.1400    0.0000 O   0  0
    6.0600   10.6400    0.0000 C   0  0
    5.0300    9.8400    0.0000 C   0  0
    5.0000    8.2600    0.0000 C   0  0
    3.7800    7.4300    0.0000 C   0  0  2  0  0  0
    2.4800    8.1000    0.0000 N   0  0
    2.3900    9.5600    0.0000 C   0  0
    3.6436   10.3837    0.0000 O   0  0
    3.8300    4.0400    0.0000 C   0  0
    5.3300    4.0511    0.0000 O   0  0
    3.8300   -0.1000    0.0000 N   0  0
    2.6400   -0.9500    0.0000 C   0  0  2  0  0  0
    1.3400   -0.2600    0.0000 C   0  0
    0.0200   -1.0300    0.0000 C   0  0
    1.3400    1.1800    0.0000 C   0  0
    2.6400   -2.5900    0.0000 C   0  0
    3.9618   -3.2990    0.0000 O   0  0
    1.4200   -3.4000    0.0000 N   0  0
    1.5000   -4.8800    0.0000 C   0  0  2  0  0  0
    2.8000   -5.5400    0.0000 C   0  0
    2.8500   -7.0800    0.0000 C   0  0
    4.1900   -7.7800    0.0000 C   0  0
    4.2300   -9.3000    0.0000 C   0  0
    5.5200   -9.9000    0.0000 C   0  0
    6.7461   -9.0379    0.0000 O   0  0
    8.1087   -9.6671    0.0000 C   0  0  1  0  0  0
    8.2407  -11.1614    0.0000 O   0  0
    9.6008  -11.7941    0.0000 C   0  0  1  0  0  0
   10.8287  -10.9327    0.0000 C   0  0  1  0  0  0
   12.1887  -11.5654    0.0000 O   0  0
   10.6967   -9.4385    0.0000 C   0  0  2  0  0  0
   11.9246   -8.5770    0.0000 O   0  0
    9.3366   -8.8058    0.0000 C   0  0  2  0  0  0
    9.2046   -7.3116    0.0000 O   0  0
    9.7298  -13.2894    0.0000 C   0  0
    8.5006  -14.1491    0.0000 O   0  0
    5.5200  -11.6300    0.0000 C   0  0
    4.3400  -12.2800    0.0000 C   0  0
    4.3875  -13.7792    0.0000 O   0  0
    2.9600  -11.6300    0.0000 C   0  0
    3.0100  -10.0600    0.0000 C   0  0
    1.7900   -9.2500    0.0000 C   0  0  2  0  0  0
    0.4900   -9.8600    0.0000 N   0  0
   -0.7900   -9.1700    0.0000 C   0  0
   -2.0931   -9.9130    0.0000 O   0  0
   -0.7400   -7.9200    0.0000 C   0  0  1  0  0  0
    0.3600   -7.1700    0.0000 N   0  0
    0.2800   -5.7000    0.0000 C   0  0
   -0.6150   -5.2540    0.0000 O   0  0
   -2.4200   -7.1700    0.0000 C   0  0  2  0  0  0
   -3.6921   -7.9648    0.0000 O   0  0
   -2.3700   -5.7000    0.0000 C   0  0
   -3.8000   -4.8800    0.0000 C   0  0
   -1.1100   -4.8400    0.0000 C   0  0
   -1.1200   -3.3200    0.0000 C   0  0
    1.8955   -7.7521    0.0000 C   0  0
    2.7942   -7.3135    0.0000 O   0  0
    1.0665   -7.1929    0.0000 O   0  0
    5.4400   -6.9200    0.0000 C   0  0
    6.7740   -7.6059    0.0000 O   0  0
    5.4100   -5.2900    0.0000 C   0  0
    4.1500   -4.6700    0.0000 C   0  0
    6.4000    7.6100    0.0000 C   0  0
    6.5504    6.1176    0.0000 Cl  0  0
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    8.9590    7.8339    0.0000 O   0  0
    7.6200    9.9700    0.0000 C   0  0
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    2.3616   17.2289    0.0000 N   0  0
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106107  1  0
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115116  1  0
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 44119  1  1
119120  1  0
 38121  1  0
121122  2  0
122 35  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11001

> <plate>
PLATE 001

> <well>
E11

> <supplier_cmpd_name>
Dalbavancin Impurity

> <ctcr_id>
10910

> <supplier_cmpd_id>
T2692

> <smiles>
Clc1c2Oc3c(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)CCCCCCCCC(C)C)C(=O)O)c4Oc5ccc(C[C@H]6NC(=O)[C@H](c7cc(Oc8cc([C@H](NC6=O)C(=O)N[C@H](c(c3)c4)C(=O)N[C@@H]3c4cc(c6c(O[C@H]9O[C@@H]([C@@H](O)[C@H](
O)[C@@H]9O)CO)cc(O)cc6[C@H](NC(=O)[C@@H](NC3=O)[C@H](O)c(c1)cc2)C(=O)O)c(O)cc4)c(Cl)c(O)c8)c(O)cc7)NC)cc5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T2692,"Dalbavancin Impurity"}

> <pdid>
PD076368

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{133640193}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

135145  0  0  1  0            999 V2000
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   -5.0637  -17.7013    0.0000 Cl  0  0
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   -0.2706   10.8589    0.0000 C   0  0
   -0.2020   12.3775    0.0000 C   0  0
    1.1199   13.1078    0.0000 C   0  0
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    2.2914    5.9523    0.0000 C   0  0
    0.9759    5.1910    0.0000 C   0  0
   -0.3219    5.9432    0.0000 Cl  0  0
   -7.0690   10.0911    0.0000 C   0  0
   -8.3906   10.8023    0.0000 C   0  0
   -8.4364   12.3016    0.0000 O   0  0
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  -12.1403    5.5351    0.0000 O   0  0
   -8.2334    6.2509    0.0000 C   0  0
   -6.9505    5.4913    0.0000 C   0  0
   -6.0850    5.9922    0.0000 Cl  0  0
   13.5905   -3.4271    0.0000 O   0  0
   14.8898   -2.6775    0.0000 P   0  0
   16.1891   -3.4271    0.0000 O   0  0
   14.8898   -1.1775    0.0000 O   0  0
   14.8898   -4.1775    0.0000 O   0  0
   18.6905   -3.4271    0.0000 O   0  0
   19.9898   -2.6775    0.0000 P   0  0
   21.2890   -3.4271    0.0000 O   0  0
   19.9898   -1.1775    0.0000 O   0  0
   19.9898   -4.1775    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
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 84 85  2  0
 85 86  1  0
 86 87  1  0
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 89 90  2  0
 87 91  1  0
 91 92  2  0
 91 93  1  0
 74 93  1  6
 86 94  2  0
 94 95  1  0
 95 96  2  0
 96 84  1  0
 96 97  1  0
 83 98  1  0
 98 99  1  0
 98100  2  0
100101  1  0
101102  1  0
101103  2  0
103 82  1  0
 73104  1  6
105104  1  6
105106  1  0
106107  1  0
107108  1  1
107109  1  0
109110  1  6
109111  1  0
111112  1  0
112105  1  0
111113  1  1
111114  1  0
 72115  1  0
115116  2  0
116 69  1  0
116117  1  0
 59118  1  1
118119  1  0
119120  2  0
119121  1  0
 44122  1  1
 43123  1  0
123124  2  0
124 40  1  0
124125  1  0
126127  2  0
127128  1  0
127129  1  0
127130  1  0
131132  2  0
132133  1  0
132134  1  0
132135  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11002

> <plate>
PLATE 001

> <well>
F2

> <supplier_cmpd_name>
Oritavancin diphosphate

> <ctcr_id>
10911

> <supplier_cmpd_id>
T2691

> <smiles>
O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@](C2)(C)NCc2ccc(c3ccc(Cl)cc3)cc2)[C@@H](O[C@H](CO)[C@H]1O)Oc1c2Oc3ccc([C@H]([C@@H](NC(=O)[C@H](NC)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H]4c(c2)cc1Oc1ccc([C@H]([C@H
]2C(=O)N[C@H](C(=O)O)c5c(c6cc([C@@H](NC4=O)C(=O)N2)ccc6O)c(O)cc(O)c5)O[C@@H]2O[C@@H](C)[C@H](O)[C@](C2)(N)C)cc1Cl)CC(=O)N)O)cc3Cl.O=P(O)(O)O.O=P(O)(O)O

> <pd_targets>
{REP}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{"Other protein targets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-2 Infection","SARS-CoV-2 Genome Replication and Transcription","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{"Oritavancin diphosphate",Orbactiv,192564-14-0,192564140,"LY333328 diphosphate","Oritavancin (diphosphate)",UNII-VL1P93MKZN,UNIIVL1P93MKZN,"LY 333328 diphosphate","oritavancin phosphate","192564-14-0
 (diphosphate)","192564140 (diphosphate)",VL1P93MKZN,"Oritavancin diphosphate (US",T2691}

> <pdid>
PD009348

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{53297457}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  4  1  0
 13  8  1  0
  6 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11003

> <plate>
PLATE 001

> <well>
F3

> <supplier_cmpd_name>
Cinchophen

> <ctcr_id>
5759

> <supplier_cmpd_id>
T0456

> <smiles>
OC(=O)c1cc(nc2ccccc12)c3ccccc3

> <pd_targets>
{KDM4E,LMNA}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"analgesic agent"}

> <synonyms>
{Cinchophen,132-60-5,132605,"2-Phenylquinoline-4-carboxylic acid","2Phenylquinoline4carboxylic acid","2-Phenyl-4-quinolinecarboxylic acid","2Phenyl4quinolinecarboxylic acid",Cinchopen,"2-Phenylcinchon
inic acid","2Phenylcinchoninic acid",Cinconal,Atophan,Cinchophene,Phenoquin,Quinofen,Quinophan,Quinophen,Tervalon,Atofan,"Cinchophenic acid",Aciphen,T0456,S4190}

> <pdid>
PD001146

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{8593}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
   15.6025    1.5193    0.0000 C   0  0
   14.3024    0.7712    0.0000 O   0  0
   14.2993   -0.7296    0.0000 C   0  0
   15.5984   -1.4796    0.0000 C   0  0
   15.5984   -2.9796    0.0000 C   0  0
   14.2994   -3.7296    0.0000 C   0  0
   13.0004   -2.9797    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 C   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 18  1  0
 30 22  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11004

> <plate>
PLATE 001

> <well>
F4

> <supplier_cmpd_name>
Carvedilol

> <ctcr_id>
1656

> <supplier_cmpd_id>
T0447

> <smiles>
COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23

> <pd_targets>
{ADRA2A,ADRA2B,ADRA2C,ADRB1,KDM4E,MAPT,GAA,HTR1B,KCNH2,ADRA1A,ADRA1B,HTR1A,MAPK1,HTR4,ADRB2,ADRA1D,KMT2A,APP,RORC,RYR2,FFP,MTOR,HTR2B,SLC6A4,ADRB3,DRD3,ABCB1,SLC22A2,SLC22A1,SLC6A2,DRD2,HTR2C,SLC6A3,S
LC47A1,TLR4,KCNK2,KCNK10,UGT1A1,HTR2A,HTR6,CACNA1C,NDUFC2,VEGFA,NPPB,GJA1,VCAM1,SELE,HIF1A,KCNJ4,KCNJ2,HCRTR2,HCRTR1}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator","Other cytosolic protein",Enzyme,"Ion channel","Transcription factor",Transporter,"Secreted protein",Adhesion,"Family A G protein-coupled receptor",Eraser,H
ydrolase,"Voltage-gated ion channel",Kinase,Reader,"Nuclear receptor","Ligand-gated ion channel",Transferase,"Electrochemical transporter","Primary active transporter","Small molecule receptor (family
 A GPCR)","Lysine demethylase","Potassium channels","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Ryanodine receptor","SLC superfamily of solute carriers","ATP-binding cassette"
,"Voltage-gated calcium channel","Peptide receptor (family A GPCR)","Monoamine receptor","Jumonji domain-containing","Voltage-gated potassium channel","CMGC protein kinase group","Nuclear hormone rece
ptor subfamily 1 group F","Atypical protein kinase group","SLC06 neurotransmitter transporter family","ABCB subfamily","SLC22 family of organic cation and anion transporters","SLC47 family of multidru
g and toxin extrusion transporters","Two-pore domain potassium channel","Inwardly rectifying potassium channel","Short peptide receptor (family A GPCR)","Adrenergic receptor","Serotonin receptor","CMG
C protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family","Dopamine receptor","Orexin receptor","CMGC protein kinase ERK1","Atypical p
rotein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Chromatin modifying enzymes","3.2.1.- Glycosidases","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Nuclear hormone r
eceptors","SLC superfamily of solute carriers","ATP-binding cassette transporter family","Catalytic receptors","UDP glucuronosyltransferases (UGT)","Other ion channels",Adrenoceptors,"1.14.11.- Histon
e demethylases","5-Hydroxytryptamine receptors","Potassium channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans","R
yanodine receptors",Atypical,"SLC6 neurotransmitter transporter family","Dopamine receptors","ABCB subfamily","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and tox
in extrusion transporters","Pattern recognition receptors","Voltage-gated calcium channels","Connexins and Pannexins","Orexin receptors","Voltage-gated potassium channels","Mitogen-activated protein k
inases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter subfamily","Organic cation transporters (OCT)","Toll-like receptor family","Two P domain po
tassium channels","Inwardly rectifying potassium channels","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Signal Transduction","Muscle contraction","Immune System","Gene expression (Transcription)",Metabolism,"Transport of small molecules","Developmental Biology","Vesicle-media
ted transport",Hemostasis,"Cellular responses to external stimuli","Infectious disease","Transmission across Chemical Synapses","Diseases of metabolism","Signaling by GPCR","Cardiac conduction","Innat
e Immune System","RNA Polymerase II Transcription","Abacavir transport and metabolism","SLC-mediated transmembrane transport","Disorders of transmembrane transporters","Potassium Channels","Nervous sy
stem development","The citric acid (TCA) cycle and respiratory electron transport","Membrane Trafficking","Cytokine Signaling in Immune system","Cell surface interactions at the vascular wall","Cellul
ar responses to stress","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Diseases of carbohydrate metabolism","GPCR ligand binding","Phase 3 - rapid repolarisa
tion","Toll-like Receptor Cascades","Generic Transcription Pathway","Ion homeostasis","Neurotransmitter clearance","Abacavir transmembrane transport","Transport of bile salts and organic acids","metal
 ions and amine compounds","SLC transporter disorders","Tandem pore domain potassium channels","Metabolic disorders of biological oxidation enzymes","Axon guidance","Respiratory electron transport","A
TP synthesis by chemiosmotic coupling","and heat production by uncoupling proteins.","Gap junction trafficking and regulation","Interferon Signaling","Cellular response to hypoxia","Leishmania parasit
e growth and survival","Activation of NMDA receptors and postsynaptic events","Glycogen storage diseases","Class A/1 (Rhodopsin-like receptors)","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional 
regulation by RUNX1","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","Serotonin clearance from the synaptic cleft","Organic cation/anion/zwitterion transport","Defective SLC
6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Toll Like Receptor 4 (TLR4) Cascade","TWIK related potassium channel (TREK)","Defective UGT1
A1 causes hyperbilirubinemia","NCAM signaling for neurite out-growth","Transcriptional regulation by the AP-2 (TFAP2) family of transcription factors","Gap junction trafficking","Interferon gamma sign
aling","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","GABA receptor activation","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor ac
tivation events","Glycogen storage disease type II (GAA)","Amine ligand-binding receptors","MyD88 cascade initiated on plasma membrane","RUNX1 regulates genes involved in megakaryocyte differentiation
 and platelet function","RUNX3 Regulates Immune Response and Cell Migration","Regulation of TP53 Activity","Organic cation transport","MyD88-independent TLR4 cascade","NCAM1 interactions","Complex I b
iogenesis","TFAP2 (AP-2) family regulates transcription of growth factors and their receptors","Gap junction assembly","GABA B receptor activation","Peptide ligand-binding receptors","ADORA2B mediated
 anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Serotonin receptors",Adrenoceptors,"MAP kinase activation","TAK1 activates NFkB by phosphorylation and activation of
 IKKs complex","Regulation of TP53 Expression and Degradation","Dopamine receptors","TRIF(TICAM1)-mediated TLR4 signaling","Transport of connexons to the plasma membrane","Activation of GABAB receptor
s","Orexin and neuropeptides FF and QRFP bind to their respective receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Activation of IRF3/IRF7 mediated b
y TBK1/IKK epsilon","Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","ERK/MAPK targets","ERKs ar
e inactivated"}

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{carvedilol,72956-09-3,72956093,Coreg,Dilatrend,Eucardic,"Carvedilolum (Latin)","BM 14190",Carvedilolum,1-(9H-Carbazol-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)-2-propanol,1(9HCarbazol4yloxy)3((2(
2methoxyphenoxy)ethyl)amino)2propanol,BM-14190,BM14190,"SKF 105517",1-((9H-Carbazol-4-yl)oxy)-3-((2-(2-methoxyphenoxy)ethy,1((9HCarbazol4yl)oxy)3((2(2methoxyphenoxy)ethy,T0342,T0447,S1831,SAM001246736
,1504257,Prestw-1262,"Carvedilol phosphate",Carvedilol,CPD000449280,CARVEDILOL}

> <pdid>
PD001210

> <targets>
{Adrenergic Receptor,Autophagy}

> <classes>
{beta-adrenergic blocker,Neuronal Signaling,Autophagy,GPCR/G Protein}

> <pubchem_cids>
{2585}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
   -5.2649   -4.1084    0.0000 O   0  0
   -4.3533   -5.2996    0.0000 C   0  0
   -2.8675   -5.1069    0.0000 C   0  0
   -2.1519   -3.7886    0.0000 O   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -0.4810   -5.5489    0.0000 C   0  0
    0.8417   -6.2564    0.0000 O   0  0
   -1.8348   -6.1949    0.0000 C   0  0
   -2.1080   -7.6698    0.0000 O   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  3  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 10  1  0
 19 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11005

> <plate>
PLATE 001

> <well>
F5

> <supplier_cmpd_name>
Inosine

> <ctcr_id>
5310

> <supplier_cmpd_id>
T0437

> <smiles>
OCC1OC(C(O)C1O)n2cnc3c(O)ncnc23

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Inosine,S2442}

> <pdid>
PD159930

> <targets>
{Others,Adenosine Receptor,Endogenous Metabolite}

> <classes>
{Others,GPCR/G Protein,Metabolic Enzyme/Protease}

> <pubchem_cids>
{804}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    3.7332   -0.7121    0.0000 N   0  0
    3.1255   -2.0835    0.0000 C   0  0
    4.0097   -3.2952    0.0000 O   0  0
    1.6332   -2.2426    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  9 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11006

> <plate>
PLATE 001

> <well>
F6

> <supplier_cmpd_name>
Piracetam

> <ctcr_id>
5689

> <supplier_cmpd_id>
T0426

> <smiles>
NC(=O)CN1CCCC1=O

> <pd_targets>
{SV2A,TSHR,AMPC,HSF1,GRIA4,GRIA3,GRIA2,GRIA1}

> <pathway_gtopdb>
{Transporter,"Membrane receptor",Enzyme,"Other cytosolic protein","Ion channel","Electrochemical transporter","Family A G protein-coupled receptor",Hydrolase,"Ligand-gated ion channel","Vesicular neur
otransmitter transporter family","Peptide receptor (family A GPCR)","Ionotropic glutamate receptor","Glycohormone receptor","AMPA receptor"}

> <pathway_chembl>
{Transporters,Receptors,"Ion channels","SLC superfamily of solute carriers","G protein-coupled receptors","Ligand-gated ion channels","SLC22 family of organic cation and anion transporters","Glycoprot
ein hormone receptors","Ionotropic glutamate receptors","Atypical SLC22B subfamily"}

> <pathway_reactome>
{Disease,"Cellular responses to external stimuli","Neuronal System","Metabolism of proteins","Infectious disease","Cellular responses to stress","Transmission across Chemical Synapses","Post-translati
onal protein modification","Uptake and actions of bacterial toxins","Leishmania infection","Cellular response to heat stress","Neurotransmitter receptors and postsynaptic signal transmission","Asparag
ine N-linked glycosylation","Neurotoxicity of clostridium toxins","Leishmania parasite growth and survival","HSF1-dependent transactivation","Glutamate binding","activation of AMPA receptors and synap
tic plasticity","Activation of NMDA receptors and postsynaptic events","Transport to the Golgi and subsequent modification","Toxicity of botulinum toxin type A (botA)","Anti-inflammatory response favo
uring Leishmania parasite infection","Attenuation phase","Trafficking of AMPA receptors","Post NMDA receptor activation events","ER to Golgi Anterograde Transport","ADORA2B mediated anti-inflammatory 
cytokines production","Trafficking of GluR2-containing AMPA receptors","Long-term potentiation","Cargo concentration in the ER"}

> <broad_targets>
{GRIA1,GRIA2,GRIA3,GRIA4}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{RESTW53,piracetam,7491-74-9,7491749,2-(2-oxopyrrolidin-1-yl)acetamide,2(2oxopyrrolidin1yl)acetamide,Nootropil,2-Oxo-1-pyrrolidineacetamide,2Oxo1pyrrolidineacetamide,"1-Pyrrolidineacetamide, 2-oxo-","
1Pyrrolidineacetamide, 2oxo",Nootropyl,Pyracetam,Normabrain,Gabacet,Pyramem,Genogris,Pirroxil,Euvifor,Nootron,2-Pyrrolidinoneacetamide,2Pyrrolidinoneacetamide,2-Oxo-pyrro,2Oxopyrro,T0426,1502195,Prest
w-537,Piracetam,PIRACETAM}

> <pdid>
PD001367

> <targets>
{iGluR}

> <classes>
{antinauseant,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{4843}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  1  0            999 V2000
   -0.2823   -5.5001    0.0000 C   0  0
   -0.7300   -4.0685    0.0000 C   0  0  2  0  0  0
   -2.1946   -3.7406    0.0000 C   0  0
   -3.2115   -4.8444    0.0000 C   0  0
   -4.6761   -4.5166    0.0000 C   0  0
   -5.1237   -3.0850    0.0000 O   0  0
   -5.6924   -5.6198    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
    0.0000    7.5000    0.0000 O   0  0
    1.2990    5.2500    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0  1  0  0  0
    2.5981    3.0000    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    3.8971    0.7500    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  2  8  1  0
  8  9  1  6
  9 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17  8  1  0
 17 11  1  0
 17 18  1  6
 13 19  1  0
 19 20  1  6
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 26 25  1  1
 26 19  1  0
 26 27  1  0
 27 28  1  0
 12 28  1  1
 28 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11007

> <plate>
PLATE 001

> <well>
F7

> <supplier_cmpd_name>
Dehydrocholic acid

> <ctcr_id>
6447

> <supplier_cmpd_id>
T0408

> <smiles>
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O

> <pd_targets>
{LMNA,FFP}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"dehydrocholic acid",Decholin,81-23-2,81232,"81 23 2",Dehystolin,Felacrinos,Sanocholen,"Ketocholanic acid",Chologon,Oxycholin,Dilabil,Bilidren,Bilostat,Cholagon,Cholimed,Dehychol,Didrocolo,Drenobyl,N
ovocolin,Procholon,Acolen,Dehycon,Didocol,E,SAM001246857,Prestw-123,CPD000058603,"Dehydrocholic acid"}

> <pdid>
PD001529

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{6674}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    3.8990   -0.7508    0.0000 C   0  0
    5.1985   -0.0016    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.4470    5.2297    0.0000 C   0  0
   -2.9153    5.5365    0.0000 N   0  0
   -3.6607    4.2349    0.0000 C   0  0
   -2.6532    3.1236    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -2.5983   -3.0004    0.0000 C   0  0
   -3.8975   -2.2510    0.0000 C   0  0
   -3.8990   -0.7508    0.0000 C   0  0
   -5.1985   -0.0017    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  3  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
  8 15  2  0
 15 16  1  0
 16 17  2  0
 17  6  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11008

> <plate>
PLATE 001

> <well>
F8

> <supplier_cmpd_name>
Anastrozole

> <ctcr_id>
4554

> <supplier_cmpd_id>
T0393

> <smiles>
CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N

> <pd_targets>
{CYP19A1,UGT1A4}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450",Transferase,"Cytochrome P450 family 19","Cytochrome P450 family 19A","Cytochrome P450 19A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450",CYP11,CYP17,CYP19,"CYP20 and CYP21 families"}

> <pathway_reactome>
{Metabolism,Disease,"Biological oxidations","Diseases of metabolism","Phase I - Functionalization of compounds","Metabolic disorders of biological oxidation enzymes","Cytochrome P450 - arranged by sub
strate type","Defective UGT1A4 causes hyperbilirubinemia","Endogenous sterols"}

> <broad_targets>
{CYP19A1}

> <broad_moa>
{"aromatase inhibitor"}

> <synonyms>
{anastrozole,120511-73-1,120511731,Arimidex,anastrazole,Anastrozol,ZD1033,ZD-1033,"ICI D1033",UNII-2Z07MYW1AZ,UNII2Z07MYW1AZ,ICI-D1033,ICID1033,2Z07MYW1AZ,CHEMBL1399,CHEBI:2704,"Anastrozole, 98",NSC71
9344,NCGC00164619-01,NCGC0016461901,Asiolex,DSSTox_CID_2607,DSSToxCID2607,DSSTox-CID-2607,"DSSTox CID 2607",DSSTox_RID_76656,DSSToxRID76656,DSSTox-RID-76656,"DSSTox RID 76656",DSSTox_GSID_226,DSSToxGS
ID226,DSSTox-GSID-226,"DSSTox GSID 226",T0393,719344,SAM001246525,Prestw-1222,"NSC 719344",Anastrozole,CPD000466301}

> <pdid>
PD003143

> <targets>
{}

> <classes>
{"Aromatase Inhibitor"}

> <pubchem_cids>
{2187}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 21  0  0  1  0            999 V2000
   10.2003   -3.3752    0.0000 Cl  0  5
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3039   -3.7494    0.0000 N   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6060   -6.0003    0.0000 C   0  0
    3.9051   -5.2503    0.0000 C   0  0
    2.6061   -7.5003    0.0000 C   0  0
    1.3071   -8.2503    0.0000 C   0  0
    0.0080   -7.5003    0.0000 C   0  0
    0.0080   -6.0003    0.0000 C   0  0
   -1.2911   -5.2504    0.0000 C   0  0
    7.7003   -3.3752    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  1  6
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
M  CHG  2   1  -1  22   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11009

> <plate>
PLATE 001

> <well>
F9

> <supplier_cmpd_name>
Ropivacaine hydrochloride

> <ctcr_id>
2795

> <supplier_cmpd_id>
T0386

> <smiles>
[Cl-].CCCN1CCCC[C@H]1C(=O)Nc2c(C)cccc2C.[H+]

> <pd_targets>
{SCN5A,LMNA,KCNK3,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN7A,SCN8A,SCN9A}

> <pathway_gtopdb>
{"Ion channel","Other nuclear protein","Voltage-gated ion channel","Voltage-gated sodium channel","Potassium channels","Two-pore domain potassium channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Voltage-gated sodium channels","Potassium channels","Two P domain potassium channels"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","Neuronal System","Nervous system development",Mitotic,"Potassium Channels","Axon guidance","M Phase","Tandem pore domain potassium channels","L1CAM interactions"
,"Mitotic Metaphase and Anaphase","TWIK-releated acid-sensitive K+ channel (TASK)","Interaction between L1 and Ankyrins","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear En
velope (NE) Reformation"}

> <broad_targets>
{SCN10A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{"Ropivacaine hydrochloride",98717-15-8,98717158,"98717 15 8",AKOS015918210,"(2S)-N-(2,6-dimethylphenyl)-1-propyl-piperidine-2-carboxamide hydrochloride","(2S)N(2,6dimethylphenyl)1propylpiperidine2car
boxamide hydrochloride","(2S) N (2,6 dimethylphenyl) 1 propyl piperidine 2 carboxamide hydrochloride","ROPIVACAINE HCl",132112-35-7,132112357,"132112 35 7",Naropin,"Ropivacaine monohydrochloride",UNII
-35504LBE2T,UNII35504LBE2T,"UNII 35504LBE2T",Ropivacai,T0386L,T0386,SAM001246524,Ropivacaine,CPD000469137}

> <pdid>
PD010117

> <targets>
{Potassium Channel,Sodium Channel}

> <classes>
{Membrane Transporter/Ion Channel}

> <pubchem_cids>
{46856340,175804,53262295}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 39  0  0  0  0            999 V2000
   -6.4717  -14.5676    0.0000 C   0  0
   -6.0099  -13.1405    0.0000 C   0  0
   -4.5425  -12.8257    0.0000 N   0  0
   -3.5342  -13.9374    0.0000 C   0  0
   -2.0679  -13.6212    0.0000 C   0  0
   -4.0804  -11.3978    0.0000 C   0  0
   -2.6130  -11.0830    0.0000 C   0  0
   -2.1509   -9.6551    0.0000 N   0  0
   -0.6835   -9.3403    0.0000 C   0  0
    0.3219  -10.4535    0.0000 O   0  0
   -0.2222   -7.9149    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    2.4192   -8.3243    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
    8.9536   -4.6590    0.0000 O   0  0
    8.9536   -6.1590    0.0000 C   0  0
    7.6536   -6.9090    0.0000 C   0  0
    6.3536   -6.1590    0.0000 C   0  0
    6.3536   -4.6590    0.0000 O   0  0
    5.0543   -6.9086    0.0000 O   0  0
   10.2536   -6.9090    0.0000 C   0  0
   10.2536   -8.4090    0.0000 O   0  0
   11.5529   -6.1594    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 17  1  0
 27 21  1  0
 15 28  2  0
 28 11  1  0
 28 29  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 31 36  1  0
 36 37  1  0
 36 38  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11010

> <plate>
PLATE 001

> <well>
F10

> <supplier_cmpd_name>
Sunitinib Malate

> <ctcr_id>
5297

> <supplier_cmpd_id>
T0374

> <smiles>
CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1C.OC(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS3244A19,HMS3244A20,HMS3244B19,HMS3295O05,HMS3654M09,BCP01768,"341031-54-7 (malate)","341031547 (malate)",ANW-43713,ANW43713,AK544273,DB-011547,DB011547,"SU 11248 Malate;SU11248 Malate;SU-11248 Mal
ate","SU 11248 Malate;SU11248 Malate;SU11248 Malate",S1042,"Sunitinib Malate"}

> <pdid>

> <targets>
{VEGFR-PDGFR,VEGFR,c-Kit,PDGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{53394000}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
   12.8906   -1.1227    0.0000 Cl  0  5
   10.3899    1.5199    0.0000 C   0  0
    9.0920    0.7681    0.0000 C   0  0
    7.7907    1.5158    0.0000 O   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  3
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1981   -2.9955    0.0000 C   0  0
   -6.4986   -3.7428    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0049   -5.9994    0.0000 C   0  0
    0.0080   -7.4994    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1821    3.0099    0.0000 O   0  0
    3.8787    3.7539    0.0000 C   0  0
    3.8704    5.2539    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 16 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 20 24  1  0
 24 25  2  0
 25 10  1  0
 25 14  1  0
  8 26  1  0
 26 27  2  0
 27  5  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
M  CHG  2   1  -1  11   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11011

> <plate>
PLATE 001

> <well>
F11

> <supplier_cmpd_name>
Ethaverine hydrochloride

> <ctcr_id>
5245

> <supplier_cmpd_id>
T0369

> <smiles>
[Cl-].CCOc1ccc(Cc2[nH+]ccc3cc(OCC)c(OCC)cc23)cc1OCC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SCHEMBL17603566,AKOS026749877,"Ethaverine hydrochloride",985-13-7,985137,"985 13 7",Ethaquin,Consenil,Papetherine,"ETHAVERINE HCl",Laverin,Neopavrin,Paveroid,Perparin,Cebral,Isovex,Perparine,Perperin
e,"Barbonin hydrochloride",UN,1501000,Prestw-830,"ETHAVERINE HYDROCHLORIDE"}

> <pdid>

> <targets>
{}

> <classes>
{antispasmodic}

> <pubchem_cids>
{118797690,5702159,13796}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    5.1995   -6.0025    0.0000 C   0  0
    3.9005   -5.2525    0.0000 C   0  0
    3.8995   -3.7516    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    1.3018   -3.7547    0.0000 C   0  0
    1.3044   -5.2556    0.0000 C   0  0
    0.0071   -6.0086    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8982   -2.2498    0.0000 O   0  0
    3.8976   -0.7500    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 17 19  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11012

> <plate>
PLATE 001

> <well>
G2

> <supplier_cmpd_name>
Probenecid

> <ctcr_id>
4702

> <supplier_cmpd_id>
T0457

> <smiles>
CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O

> <pd_targets>
{SLC22A6,UGT1A7,CA12,CA2,CA9,SLC22A11,ABCC2,TRPV2,SLC22A12,ALD,SLC22A8,SLCO1A1,SLC22A20,SLCO1A4,SLCO1C1,PANX1}

> <pathway_gtopdb>
{Transporter,Enzyme,"Ion channel","Electrochemical transporter",Transferase,Lyase,"Primary active transporter","Voltage-gated ion channel","Other ion channel","SLC superfamily of solute carriers","ATP
-binding cassette","Transient receptor potential channel","SLC22 family of organic cation and anion transporters","ABCC subfamily","SLC21/SLCO family of organic anion transporting polypeptides"}

> <pathway_chembl>
{Transporters,Enzymes,"Ion channels","SLC superfamily of solute carriers","Carbonic anhydrases","ATP-binding cassette transporter family","Voltage-gated ion channels","Other ion channels","SLC22 famil
y of organic cation and anion transporters","ABCC subfamily","Transient Receptor Potential channels","SLCO family of organic anion transporting polypeptides","Connexins and Pannexins","Organic anion t
ransporters (OATs)","Urate transporter","Orphan or poorly characterized SLC22 family members"}

> <pathway_reactome>
{"Transport of small molecules",Metabolism,"Cellular responses to external stimuli",Disease,"Immune System","SLC-mediated transmembrane transport","Biological oxidations","Reversible hydration of carb
on dioxide","O2/CO2 exchange in erythrocytes","Cellular responses to stress","Disorders of transmembrane transporters","Ion channel transport","Innate Immune System","Transport of bile salts and organ
ic acids","metal ions and amine compounds","Phase II - Conjugation of compounds","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","ABC transporter disorders","St
imuli-sensing channels","Transport of vitamins",nucleosides,"and related molecules","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Organic cation/anion
/zwitterion transport",Glucuronidation,"Regulation of gene expression by Hypoxia-inducible Factor","Defective ABCC2 causes DJS","TRP channels","Transport of organic anions",Inflammasomes,"Organic anio
n transport","The NLRP3 inflammasome"}

> <broad_targets>
{PANX1,SLC22A11,SLC22A6,SLC22A8,SLCO1C1}

> <broad_moa>
{"uricosuric blocker"}

> <synonyms>
{probenecid,57-66-9,57669,"4-(Dipropylsulfamoyl)benzoic acid","4(Dipropylsulfamoyl)benzoic acid","Probenecid acid",Benemid,Probecid,Benecid,Probenemid,Benuryl,Probalan,Probexin,Prolongine,Tubophan,Uri
cosid,Apurina,Proben,"Synergid R","p-(Dipropylsulfamoyl)benzoic acid","p(Dipropylsulfamoyl)benzoic acid",4-((dipropylami,4((dipropylami,T0457,SAM002554923,1500502,Prestw-542,Probenecid,CPD000058280,PR
OBENECID}

> <pdid>
PD001786

> <targets>
{Bacterial,HIV,TRP Channel}

> <classes>
{uricosuric,Anti-infection,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{4911}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  1  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5998    1.4987    0.0000 C   0  0  2  0  0  0
   -3.8976    0.7465    0.0000 C   0  0
   -2.6028    2.9995    0.0000 C   0  0
   -1.3050    3.7516    0.0000 O   0  0
   -3.9029    3.7477    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  1  0
 13 15  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11013

> <plate>
PLATE 001

> <well>
G3

> <supplier_cmpd_name>
Dexibuprofen

> <ctcr_id>
4856

> <supplier_cmpd_id>
T0448

> <smiles>
CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O

> <pd_targets>
{PTGS1,CYP2C9,BLM,CXCR1,CXCR2,NFO,PTGS2,TSHR,PMP22,LMNA,AKR1C3,AKR1C2,BCL2,THBD,PLAT,FABP2,PPARG,CFTR,SLC5A8,NFKB1,ALB,ALOX5,DHRS9,PTGDS,FABP1,SLC22A20,SLC22A6,ASIC1,PPARA,GP1BA,S100A7,CXCL8}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Other nuclear protein","Ion channel","Auxiliary transport protein","Transcription factor",Oxidoreductase,"Cytochrome P450","Family A G protein-coupl
ed receptor",Hydrolase,"Other ion channel",Protease,"Fatty acid binding protein family","Nuclear receptor","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Miscellaneous ion channel","Se
rine protease","Nuclear hormone receptor subfamily 1","Chloride channel","Cytochrome P450 family 2C","Chemokine receptor","Glycohormone receptor","Bcl-2 family","Serine protease PA clan","Nuclear horm
one receptor subfamily 1 group C","Cystic fibrosis transmembrane conductance regulator","Cytochrome P450 2C9","CXC chemokine receptor","Serine protease S1A subfamily","Nuclear hormone receptor subfami
ly 1 group C member 3","Other cytosolic protein","Secreted protein",Transporter,Isomerase,"Electrochemical transporter","Ligand-gated ion channel","SLC superfamily of solute carriers","Acid-sensing io
n channel","SLC22 family of organic cation and anion transporters","Nuclear hormone receptor subfamily 1 group C member 1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Ion channels","Eicosanoid turnover","Cytochrome P450","G protein-coupled receptors","B-cell lymphoma 2 (Bcl-2) protein family","Peptidases and proteinases",
"Fatty acid-binding proteins","Nuclear hormone receptors","Other ion channels",Cyclooxygenase,"CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","Prostaglandin synthases","PA: Se
rine (S) Peptidases","1C. Peroxisome proliferator-activated receptors","Chloride channels","S1: Chymotrypsin",CFTR,Transporters,"SLC superfamily of solute carriers","Ligand-gated ion channels","SLC5 f
amily of sodium-dependent glucose transporters",Lipoxygenases,"SLC22 family of organic cation and anion transporters","Acid-sensing (proton-gated) ion channels (ASICs)","Sodium iodide symporter","sodi
um-dependent multivitamin transporter and sodium-coupled monocarboxylate transporters","Orphan or poorly characterized SLC22 family members","Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,"DNA Repair",Disease,"Developmental Biology","Cell Cycle","Immune System",Hemostasis,"Signal Transduction","Gene expression (Transcription)",Autophagy,"Metabolism of lipids","Biological ox
idations","DNA Double-Strand Break Repair","Infectious disease","Nervous system development",Mitotic,"Innate Immune System","Formation of Fibrin Clot (Clotting Cascade)","Signaling by Receptor Tyrosin
e Kinases","RNA Polymerase II Transcription",Macroautophagy,"Fatty acid metabolism","Phase I - Functionalization of compounds","Homology Directed Repair","Biosynthesis of specialized proresolving medi
ators (SPMs)","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Metabolism of steroids","Nucleotide-binding domain","leucine rich repeat containing rec
eptor (NLR) signaling pathways","Common Pathway of Fibrin Clot Formation","Signaling by PDGF","Triglyceride metabolism","Generic Transcription Pathway","Selective autophagy","Arachidonic acid metaboli
sm","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DPA-derived SPMs","Leishmania parasite growth and surv
ival","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism",Inflammasomes,"Triglyceride catabolism","Transcriptional Regulation by MECP2",Aggrephagy,"Synthesis of Prostaglandins (PG) a
nd Thromboxanes (TX)",Xenobiotics,"HDR through Homologous Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Sy
nthesis of bile acids and bile salts","The NLRP1 inflammasome","MECP2 regulates transcription factors","CYP2E1 reactions","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammato
ry cytokines production","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Presynaptic phase of homologous DNA pairing and strand exchange","Initia
tion of Nuclear Envelope (NE) Reformation","Transport of small molecules","Metabolism of vitamins and cofactors","Cytokine Signaling in Immune system","Signaling by GPCR","SLC-mediated transmembrane t
ransport","Ion channel transport","Diseases of hemostasis","Metabolism of water-soluble vitamins and cofactors","Signaling by Interleukins","GPCR downstream signalling","Regulation of lipid metabolism
 by PPARalpha","Transport of bile salts and organic acids","metal ions and amine compounds","Stimuli-sensing channels","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","A
ntimicrobial peptides","GPCR ligand binding","Nicotinate metabolism","Interleukin-1 family signaling","G alpha (i) signalling events","PPARA activates gene expression","Organic cation/anion/zwitterion
 transport","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Defective factor IX causes hemophilia B","Metal sequestration by antimicrobial proteins","Class A/1 (Rhodopsin-like receptors)","
Nicotinamide salvaging","Interleukin-1 signaling","Recycling of bile acids and salts","Visual phototransduction","Organic anion transport","Activation of gene expression by SREBF (SREBP)","Defective F
9 activation","Peptide ligand-binding receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived 13-series resolvins","The canonical retinoid cycle in rods (twilight visio
n)","Chemokine receptors bind chemokines"}

> <broad_targets>
{ASIC1,PTGS1,PTGS2,SLC5A8}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{RESTW90,(S)-(+)-Ibuprofen,(S)(+)Ibuprofen,DEXIBUPROFEN,51146-56-6,51146566,(S)-Ibuprofen,(S)Ibuprofen,S(+)-Ibuprofen,S(+)Ibuprofen,"(S)-2-(4-Isobutylphenyl)propanoic acid","(S)2(4Isobutylphenyl)propa
noic acid","(S)-(+)-2-(4-Isobutylphenyl)propionic acid","(S)(+)2(4Isobutylphenyl)propionic acid",d-Ibuproten,dIbuproten,"(S)-(+)-4-Isobutyl-alpha-methylphenylacetic acid","(S)(+)4Isobutylalphamethylph
enylacetic acid",(+)-(S)-p-Isobutylhydra,(+)(S)pIsobutylhydra,Prestw-907,S-(+)-ibuprofen}

> <pdid>
PD001306

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{39912}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 S   0  0
    1.3000   -0.7500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
   15.4929   -0.7498    0.0000 N   0  0
   14.1939    0.0002    0.0000 C   0  0
   14.1939    1.5002    0.0000 C   0  0
   12.8948    2.2502    0.0000 C   0  0
   11.5958    1.5002    0.0000 C   0  0
   10.2968    2.2502    0.0000 C   0  0
    8.9977    1.5002    0.0000 C   0  0
    7.6987    2.2502    0.0000 C   0  0
    6.3996    1.5002    0.0000 C   0  0
    6.3997    0.0002    0.0000 C   0  0
    5.1006   -0.7498    0.0000 N   0  0
    7.6987   -0.7498    0.0000 C   0  0
    8.9977    0.0002    0.0000 C   0  0
   10.2968   -0.7498    0.0000 N   0  0
   11.5958    0.0002    0.0000 C   0  0
   12.8949   -0.7498    0.0000 C   0  0
   28.3865   -0.7498    0.0000 N   0  0
   27.0875    0.0002    0.0000 C   0  0
   27.0875    1.5002    0.0000 C   0  0
   25.7884    2.2502    0.0000 C   0  0
   24.4894    1.5002    0.0000 C   0  0
   23.1904    2.2502    0.0000 C   0  0
   21.8913    1.5002    0.0000 C   0  0
   20.5923    2.2502    0.0000 C   0  0
   19.2932    1.5002    0.0000 C   0  0
   19.2933    0.0002    0.0000 C   0  0
   17.9942   -0.7498    0.0000 N   0  0
   20.5923   -0.7498    0.0000 C   0  0
   21.8913    0.0002    0.0000 C   0  0
   23.1904   -0.7498    0.0000 N   0  0
   24.4894    0.0002    0.0000 C   0  0
   25.7885   -0.7498    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  2  5  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 12  1  0
 18 19  2  0
 19 20  1  0
 20 10  1  0
 20 21  2  0
 21  7  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 34  1  0
 34 28  1  0
 34 35  2  0
 35 36  1  0
 36 26  1  0
 36 37  2  0
 37 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11014

> <plate>
PLATE 001

> <well>
G4

> <supplier_cmpd_name>
Proflavine Hemisulfate

> <ctcr_id>
10914

> <supplier_cmpd_id>
T0438

> <smiles>
OS(O)(=O)=O.Nc1ccc2cc3ccc(N)cc3nc2c1.Nc1ccc2cc3ccc(N)cc3nc2c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Proflavine hemisulfate",1811-28-5,1811285,"3,6-Acridinediamine, sulfate (2:1)","3,6Acridinediamine, sulfate (2:1)","Proflavin hemisulfate","Proflavine hemisulphate",UNII-27V8M747VB,UNII27V8M747VB,DS
STox_CID_23777,DSSToxCID23777,DSSTox-CID-23777,"DSSTox CID 23777",DSSTox_RID_80073,DSSToxRID80073,DSSTox-RID-80073,"DSSTox RID 80073",DSSTox_GSID_43777,DSSToxGSID43777,DSSTox-GSID-43777,"DSSTox GSID 4
3777","acridine-3,6-diamine hemisulfate","acridine3,6diamine hemisulfate",27V8M,T0438,"Proflavine Hemisulfate"}

> <pdid>

> <targets>
{"DNA mutation",LfrR,QacR,Thrombin}

> <classes>
{"DNA Damage/DNA Repair",Others}

> <pubchem_cids>
{9849425}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 34  0  0  0  0            999 V2000
    2.5912   -7.5086    0.0000 C   0  0
    2.5917   -6.0086    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.7798  -10.5202    0.0000 C   0  0
    7.7746  -12.0202    0.0000 C   0  0
    6.4729  -12.7657    0.0000 C   0  0
    5.1765  -12.0112    0.0000 C   0  0
    5.1817  -10.5112    0.0000 C   0  0
   11.5797   -4.8917    0.0000 O   0  0
   11.5797   -6.3917    0.0000 C   0  0
   10.2805   -7.1413    0.0000 O   0  0
   12.8797   -7.1417    0.0000 C   0  0
   14.1797   -6.3917    0.0000 C   0  0
   15.4783   -7.1425    0.0000 O   0  0
   14.1812   -4.8909    0.0000 C   0  0
   15.4811   -4.1409    0.0000 C   0  0
   16.7797   -4.8917    0.0000 O   0  0
   15.4826   -2.6409    0.0000 O   0  0
   14.1809   -7.9217    0.0000 C   0  0
   12.8822   -8.6723    0.0000 O   0  0
   15.4801   -8.6714    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  3 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 26 32  1  0
 32 33  1  0
 32 34  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11015

> <plate>
PLATE 001

> <well>
G5

> <supplier_cmpd_name>
Alverine citrate

> <ctcr_id>
4808

> <supplier_cmpd_id>
T0428

> <smiles>
CCN(CCCc1ccccc1)CCCc2ccccc2.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ALVERINE CITRATE",5560-59-8,5560598,"Alverine (citrate)",Antispasmin,Spacolin,"ALVERINE CITRATE SALT","Gamatran citrate","NSC 35459","NCI 85x",UNII-9JFB58YK1E,UNII9JFB58YK1E,9JFB58YK1E,MLS000069524,
"5560-59-8 (citrate)","5560598 (citrate)",CHEBI:53785,N-Ethyl-3,NEthyl3,3'-dipheny,3'dipheny,T0428,1500109,Prestw-174,"Alverine citrate","Alverine citrate salt"}

> <pdid>

> <targets>
{}

> <classes>
{anticholinergic}

> <pubchem_cids>
{21718}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    5.1983   -3.0012    0.0000 C   0  0
    5.1988   -1.5012    0.0000 C   0  0
    6.4983   -0.7520    0.0000 O   0  0
    3.8990   -0.7508    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8975   -2.2510    0.0000 O   0  0
    2.5983   -3.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -6.5025   -0.7576    0.0000 C   0  0
   -5.2048   -1.5099    0.0000 O   0  0
   -7.8026   -1.5058    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 11 24  1  0
 24 25  2  0
 25  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11016

> <plate>
PLATE 001

> <well>
G6

> <supplier_cmpd_name>
Phthalylsulfacetamide

> <ctcr_id>
4057

> <supplier_cmpd_id>
T0409

> <smiles>
CC(=O)N[S](=O)(=O)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{PHTHALYLSULFACETAMIDE,131-69-1,131691,Tamid,Enterosulfamid,Enterosulfon,Enterosulphamid,Ftalicetimida,Talicetimida,Enterocid,Sulphalyl,Talsigel,Thalocid,Sterathal,Talasulfa,Talsutin,Thalajen,Thalamyd
,Thalisul,Kalacet,Rabalan,Talecid,Phthalo,T0409,1505728,Phthalylsulfacetamide}

> <pdid>
PD000309

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{8574}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    3.8756   -9.7579    0.0000 C   0  0
    3.8808   -8.2579    0.0000 N   0  0
    5.1824   -7.5124    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 Cl  0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    8.9876   -1.1293    0.0000 O   0  0
    8.9876   -2.6293    0.0000 C   0  0
    7.6883   -3.3789    0.0000 O   0  0
   10.2876   -3.3793    0.0000 C   0  0
   11.5876   -2.6293    0.0000 C   0  0
   11.5890   -1.1285    0.0000 C   0  0
   10.2904   -0.3777    0.0000 O   0  0
   12.8883   -0.3789    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23  9  1  0
 23 17  1  0
  5 24  1  0
 24 25  1  0
 25  2  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11017

> <plate>
PLATE 001

> <well>
G7

> <supplier_cmpd_name>
Prochlorperazine Maleate

> <ctcr_id>
4299

> <supplier_cmpd_id>
T0385

> <smiles>
CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"10H-Phenothiazine, 2-chloro-10-(3-(4-methyl-1-piperazinyl)propyl- (CAS)","10HPhenothiazine, 2chloro10(3(4methyl1piperazinyl)propyl (CAS)","Compazine maleate",SMR000466275,NSC167375,CPD000466275,MLS0
00758219,MLS001423948,SCHEMBL1806022,CHEMBL1200587,HMS2051A11,NSC748866,CCG-100783,CCG100783,NC00033,NSC-167375,NSC-74,NSC74,T0385,SAM001247054,"Prochlorperazine Maleate"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6436057}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 38  0  0  0  0            999 V2000
    9.0983   -0.7689    0.0000 C   0  0
    7.7972   -1.5154    0.0000 O   0  0
    6.4990   -0.7623    0.0000 C   0  0
    5.1972   -1.5092    0.0000 C   0  0
    3.8990   -0.7562    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5937   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.9019   -5.2406    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1894   -6.0109    0.0000 C   0  0
   -5.1872   -7.5117    0.0000 C   0  0
   -6.4836   -8.2663    0.0000 C   0  0
   -6.4784   -9.7663    0.0000 C   0  0
   -5.1768  -10.5118    0.0000 C   0  0
   -3.8804   -9.7573    0.0000 C   0  0
   -3.8856   -8.2573    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 13 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 12 36  1  0
M  CHG  2  21   1  22  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11018

> <plate>
PLATE 001

> <well>
G8

> <supplier_cmpd_name>
Cilnidipine

> <ctcr_id>
4318

> <supplier_cmpd_id>
T0388

> <smiles>
COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC\C=C\c3ccccc3)C

> <pd_targets>
{RORC,CACNA1C,CACNA1D,CACNA1S,HTT,KMT2A,MEN1,CACNA1B,FTL,CACNA1F,CACNA1A,CACNB1,CACNB2,CACNB3,CACNB4}

> <pathway_gtopdb>
{"Transcription factor","Ion channel","Unclassified protein","Epigenetic regulator","Nuclear receptor","Voltage-gated ion channel",Reader,"Nuclear hormone receptor subfamily 1","Voltage-gated calcium 
channel",Bromodomain,"Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Ion channels","Nuclear hormone receptors","Voltage-gated ion channels","1F. Retinoic acid-related orphans","Voltage-gated calcium channels"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System","Vesicle-mediated transport","Developmental Biology","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Membrane Traffickin
g","Nervous system development","Generic Transcription Pathway","Presynaptic depolarization and calcium channel opening","trans-Golgi Network Vesicle Budding","Axon guidance","Transcriptional regulati
on by RUNX3","Transcriptional Regulation by MECP2","Golgi Associated Vesicle Biogenesis","NCAM signaling for neurite out-growth","RUNX3 Regulates Immune Response and Cell Migration","Regulation of MEC
P2 expression and activity","NCAM1 interactions"}

> <broad_targets>
{CACNA1B}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{cilnidipine,132203-70-4,132203704,Cinalong,FRC-8653,FRC8653,Siscard,Atelec,"FRC 8653",CHEBI:31399,UNII-4LNU2SU262,UNII4LNU2SU262,4LNU2SU262,UNII-S85436ZG85,UNIIS85436ZG85,"Cilnidipine, 99",MFCD008658
53,S85436ZG85,"Cilnidipine (INN)",NCGC00162150-01,NCGC0016215001,Cinaldipine,DSSTox_CID_26309,DSSToxCID26309,DSSTox-CID-26309,"DSSTox CID 26309",DSSTox_RID_81,DSSToxRID81,DSSTox-RID-81,"DSSTox RID 81"
,T0388,Prestw-1376,Cilnidipine}

> <pdid>
PD000109

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5282138}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
    1.2997    3.7504    0.0000 C   0  0
    2.6000    3.0025    0.0000 C   0  0
    3.8978    3.7546    0.0000 C   0  0
    3.8954    5.2546    0.0000 C   0  0
    5.1933    6.0067    0.0000 Cl  0  0
    2.5952    6.0025    0.0000 C   0  0
    1.2974    5.2504    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -2.5981    6.0000    0.0000 C   0  0
   -3.8972    5.2500    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -5.2089   -5.9859    0.0000 Cl  0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  2  3
 23  7  1  0
 23 24  1  0
 24 25  2  3
 25  5  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11019

> <plate>
PLATE 001

> <well>
G9

> <supplier_cmpd_name>
Clofazimine

> <ctcr_id>
1608

> <supplier_cmpd_id>
T0377

> <smiles>
CC(C)\N=C\1/C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5

> <pd_targets>
{HIF1A,CYP2D6,ABCB11,FFP,SKA,MAPK1,KMT2A,MEN1,LMNA,ABCB1,ABCC2,ABCC3,ABCC4,PPARG,KCNA3}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Transporter,"Epigenetic regulator","Other nuclear protein","Ion channel",Protease,"Cytochrome P450","Primary active transporter",Transferase,Kinase,Reader,"Nuclear recep
tor","Voltage-gated ion channel","Cysteine protease","Cytochrome P450 family 2","ATP-binding cassette","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Potassium channels","Cystein
e protease CA clan","Cytochrome P450 family 2D","ABCB subfamily","CMGC protein kinase group","ABCC subfamily","Nuclear hormone receptor subfamily 1 group C","Voltage-gated potassium channel","Cysteine
 protease C1A family","Cytochrome P450 2D6","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group C member 3","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Ion channels","Cytochrome P450","ATP-binding cassette transporter family","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Voltage-gated ion channels","CYP2 family:
 drug metabolising subset","ABCB subfamily","CMGC: Containing CDK",MAPK,GSK3,"CLK families","ABCC subfamily","1C. Peroxisome proliferator-activated receptors","Potassium channels","Mitogen-activated p
rotein kinases (MAP kinases)","Voltage-gated potassium channels","ERK subfamily"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"Immune System","Cell Cycle",Disease,Hemostasis,"Gene expression (Transcription)","Neuronal System","Cellular responses to stress","Biological oxid
ations","Metabolism of lipids","Innate Immune System",Mitotic,"Abacavir transport and metabolism","Disorders of transmembrane transporters","Platelet activation","signaling and aggregation","RNA Polym
erase II Transcription","Potassium Channels","Cellular response to hypoxia","Phase I - Functionalization of compounds","Metabolism of steroids","Toll-like Receptor Cascades","M Phase","Abacavir transm
embrane transport","ABC transporter disorders","Response to elevated platelet cytosolic Ca2+","Generic Transcription Pathway","Voltage gated Potassium channels","Oxygen-dependent proline hydroxylation
 of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Defectiv
e ABCC2 causes DJS","Platelet degranulation","Transcriptional Regulation by MECP2",Xenobiotics,"Synthesis of bile acids and bile salts","MyD88 cascade initiated on plasma membrane","Mitotic Anaphase",
"Recycling of bile acids and salts","MECP2 regulates transcription factors","CYP2E1 reactions","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAP kinase activation","Nuclear E
nvelope (NE) Reassembly","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"GK0582 inhibitor"}

> <synonyms>
{clofazimine,2030-63-9,2030639,"2030 63 9",Lamprene,Lampren,Chlofazimine,Clofazimina,Clofaziminum,"B 663 (Pharmaceutical)","Clofaziminum (INN-Latin)","Clofaziminum (INNLatin)","Clofaziminum (INN Latin
)","Clofazimina (INN-Spanish)","Clofazimina (INNSpanish)",1505974,Prestw-376,CLOFAZIMINE,Clofazimine}

> <pdid>
PD000250

> <targets>
{Antibiotic,Bacterial}

> <classes>
{antilepretic,antituberculosis,antibacterial,Anti-infection}

> <pubchem_cids>
{2794}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 26  0  0  0  0            999 V2000
    5.1894   -6.0108    0.0000 C   0  0
    3.8917   -5.2586    0.0000 N   0  0
    2.5915   -6.0067    0.0000 C   0  0
    3.8934   -3.7577    0.0000 C   0  0
    2.5949   -3.0050    0.0000 C   0  0
    2.5966   -1.5042    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    5.1956   -1.5125    0.0000 N   0  0
   10.3023   -0.3806    0.0000 O   0  0
   10.3023   -1.8806    0.0000 C   0  0
    9.0030   -2.6302    0.0000 O   0  0
   11.6023   -2.6306    0.0000 C   0  0
   12.9023   -1.8806    0.0000 C   0  0
   12.9037   -0.3798    0.0000 C   0  0
   11.6051    0.3710    0.0000 O   0  0
   14.2030    0.3698    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  6 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11020

> <plate>
PLATE 001

> <well>
G10

> <supplier_cmpd_name>
Pheniramine maleate

> <ctcr_id>
1184

> <supplier_cmpd_id>
T0370

> <smiles>
CN(C)CCC(c1ccccc1)c2ccccn2.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW5,"PHENIRAMINE MALEATE",132-20-7,132207,"Pheniramine maleate salt","Pheniramine (Maleate)",Trimetose,Daneral,CHEBI:31990,"N,N-dimethyl-3-phenyl-3-(pyridin-2-yl)propan-1-amine maleate","N,Ndimeth
yl3phenyl3(pyridin2yl)propan1amine maleate",MFCD00079250,"132-20-7 (MALEATE)","132207 (MALEATE)",Avil-retard,Avilretard,"Pheniramine hydrogen ma",T0370,1500478,Prestw-59,"Pheniramine maleate"}

> <pdid>

> <targets>
{}

> <classes>
{antihistaminic}

> <pubchem_cids>
{5282139,25150753}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.6608   -1.8315    0.0000 O   0  0
   -5.1250   -4.3735    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -2.1885    3.7539    0.0000 O   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1272    4.3728    0.0000 C   0  0
   -6.5954    4.6799    0.0000 C   0  0
   -7.5955    3.5619    0.0000 C   0  0
   -9.0637    3.8689    0.0000 Cl  0  0
   -7.1272    2.1368    0.0000 C   0  0
   -5.6590    1.8298    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 10 15  1  0
 15  6  1  0
 15 16  2  0
 16  3  1  0
  7 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11021

> <plate>
PLATE 001

> <well>
G11

> <supplier_cmpd_name>
Indometacin

> <ctcr_id>
5203

> <supplier_cmpd_id>
T0458

> <smiles>
COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3

> <pd_targets>
{PTGDR2,PPARG,PTGS2,PTGS1,AKR1B1,DHRS9,PTGER2,LMNA,HIF1A,CYP2D6,CYP1A2,AKR1C3,ABCB11,CXCL8,ALB,NOS2,CYP2C9,ABCB1,MT-CO2,MAPT,PMP22,GLO1,ALOX5,TBXAS1,PTGDS,PTGER3,AKR1C2,AKR1C4,KDM4E,ALD,RORC,NPSR1,SLC
O1B1,PON1,SLC22A8,NAPRT,ABCC4,SLC22A6,PTGES,GPR17,ABCC1,AR,SLCO1B3,ABCC3,MTOR,SLC46A1,PLA2G2A,PTGR2,PPARA}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,"Other nuclear protein",Transporter,"Secreted protein","Other cytosolic protein","Unclassified protein","Epigenetic regulator","Family A G protein-co
upled receptor","Nuclear receptor",Oxidoreductase,"Cytochrome P450","Primary active transporter",Protease,Lyase,Isomerase,Eraser,"Electrochemical transporter",Hydrolase,Ligase,Kinase,"Small molecule r
eceptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2","Cytochrome P450 family 1","ATP-binding cassette","Cysteine protease","Oxidoreduction-driven transporters","C
ytochrome P450 family 5","Lysine demethylase","Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 3","Protein Kinase","Lipid-like ligand recepto
r (family A GPCR)","Nuclear hormone receptor subfamily 1 group C","Cytochrome P450 family 2D","Cytochrome P450 family 1A","ABCB subfamily","Cysteine protease CA clan","Cytochrome P450 family 2C","Cyto
chrome P450 family 5A","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","SLC21/SLCO family of organic anion transporting polypeptides
","SLC22 family of organic cation and anion transporters","ABCC subfamily","Nuclear hormone receptor subfamily 3 group C","Atypical protein kinase group","SLC46 family of folate transporters","Prostan
oid receptor","Nuclear hormone receptor subfamily 1 group C member 3","Cytochrome P450 2D6","Cytochrome P450 1A1","Cysteine protease C1A family","Cytochrome P450 2C9","Cytochrome P450 5A1","Nuclear ho
rmone receptor subfamily 1 group F member 3","Neuropeptide receptor","Leukotriene receptor","Nuclear hormone receptor subfamily 3 group C member 4","Atypical protein kinase PIKK family","Nuclear hormo
ne receptor subfamily 1 group C member 1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Nuclear hormone receptors","Eicosanoid turnover","1.-.-.- Oxidoreductases","Cytochrome P450","ATP-binding cassette transporter family","L
-Arginine turnover","Chromatin modifying enzymes","SLC superfamily of solute carriers","Paraoxonase (PON) family","Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","Prostanoid receptors","1C. Pero
xisome proliferator-activated receptors",Cyclooxygenase,"CYP2 family: drug metabolising subset","CYP1 family","Prostaglandin synthases","ABCB subfamily","Nitric oxide synthases",Lipoxygenases,CYP5,"CY
P7 and CYP8 families","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","Neuropeptide S receptor","SLCO family of organic anion transporting polypeptides","SLC22 family of organic c
ation and anion transporters","ABCC subfamily","Orphan and other 7TM receptors","Steroid hormone receptors",Atypical,"SLC46 family of folate transporters","Phospholipase A<sub>2</sub>","Organic anion 
transporters (OATs)","Class A Orphans","3C. 3-Ketosteroid receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Metabolism,Disease,"Cell Cycle","Cellular responses to external stimuli","Neuronal System","Developmental Biology","Transport of small molecule
s",Hemostasis,"Signaling by GPCR","RNA Polymerase II Transcription","Metabolism of lipids","Infectious disease",Mitotic,"Cellular responses to stress","Biological oxidations","Abacavir transport and m
etabolism","Transmission across Chemical Synapses","Nervous system development","The citric acid (TCA) cycle and respiratory electron transport","SLC-mediated transmembrane transport","Metabolism of v
itamins and cofactors","Platelet activation","signaling and aggregation","GPCR ligand binding","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid m
etabolism","Metabolism of steroids","GPCR downstream signalling","Leishmania infection","M Phase","Cellular response to hypoxia","Phase I - Functionalization of compounds","Infection with Mycobacteriu
m tuberculosis","Abacavir transmembrane transport","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Pyruvate metaboli
sm and Citric Acid (TCA) cycle","Transport of bile salts and organic acids","metal ions and amine compounds","Metabolism of water-soluble vitamins and cofactors","Response to elevated platelet cytosol
ic Ca2+","Phospholipid metabolism","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Metabolism of steroid 
hormones","G alpha (i) signalling events","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochr
ome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Response of Mtb to phagocytosis","Transcriptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events
","Pyruvate metabolism","Transcriptional regulation by RUNX3","Organic cation/anion/zwitterion transport","Nicotinate metabolism","Platelet degranulation","Transcriptional regulation by RUNX2","Metabo
lism of folate and pterines","Glycerophospholipid biosynthesis","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Eicosanoid ligand-binding receptors","MECP2 regulates transcription factors",
"Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Pregnenolone biosynthesis","Visual phototransduction","Anti-inflammatory response favouring Leishmania parasite 
infection","Mitotic Anaphase",Xenobiotics,"Synthesis of bile acids and bile salts","Peptide ligand-binding receptors","Recycling of bile acids and salts","Suppression of phagosomal maturation","TP53 R
egulates Metabolic Genes","Post NMDA receptor activation events",Eicosanoids,"RUNX3 Regulates Immune Response and Cell Migration","Synthesis of 5-eicosatetraenoic acids","Organic anion transport","Nic
otinamide salvaging","Synthesis of Leukotrienes (LT) and Eoxins (EX)","RUNX2 regulates bone development","Regulation of TP53 Activity","Acyl chain remodelling of PC","Activation of gene expression by 
SREBF (SREBP)","Prostanoid ligand receptors","The canonical retinoid cycle in rods (twilight vision)","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","CYP2
E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Synthesis of bile acids and bile salts via 7alpha-h
ydroxycholesterol","Chemokine receptors bind chemokines","Inhibition of nitric oxide production","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived 13-series resolvins","Leukotr
iene receptors","RUNX2 regulates osteoblast differentiation","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{GLO1,PLA2G2A,PPARA,PPARG,PTGDR2,PTGR2,PTGS1,PTGS2,SLC46A1}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{RESTW27,indomethacin,53-86-1,53861,indometacin,Indocin,Indometacine,Indomethacine,Indocid,Metindol,Amuno,Indomethazine,Imbrilon,Tannex,Indomethacinum,Artracin,Artrinovo,Artrivia,Confortid,Idomethine,
Indomecol,Indoptic,Indoptol,Inflazon,Infrocin,Metartril,Met,T0458,1500350,Prestw-272,Indometacin,INDOMETHACIN,Indomethacin}

> <pdid>
PD002292

> <targets>
{}

> <classes>
{analgesic,antiinflammatory,antipyretic}

> <pubchem_cids>
{3715}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11022

> <plate>
PLATE 001

> <well>
H2

> <supplier_cmpd_name>
Menadione

> <ctcr_id>
4412

> <supplier_cmpd_id>
T0449

> <smiles>
CC1=CC(=O)c2ccccc2C1=O

> <pd_targets>
{USP2,TGM2,GAPDH,FFP,KMT2A,MEN1,TGR,MAPT,RORC,HIF1A,ALD,LEF,CYP3A4,ABHD5,PLIN5,TST,GROES,GROL,HSPD1,HSPE1,DUSP6,MAOA,IDO1,BLM,LMNA,CDC25B,TP53,CYP2D6,CYP2C9,CYP1A2,ATM,GAA,AOX1,CDC25A,GSR,TPR,UCHL3,CD
C25C,PKM,ALDH1A1,CYP2C19,AMPC,ALDOA,HPGD,HBB,PLIN1,DUSP1,MAOB,GGCX,VKORC1,VKORC1L1,F2,F9,PROC,PROS1,BGLAP,BOTA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Transcription factor","Unclassified protein","Other nuclear protein","Secreted protein",Protease,Aminoacyltransferase,Oxidoreductase,Transfera
se,Reader,"Nuclear receptor","Cytochrome P450",Phosphatase,Kinase,Hydrolase,Lyase,"Cysteine protease","Protein-glutamine glutamyl-transferase",Bromodomain,"Nuclear hormone receptor subfamily 1","Metal
lo protease","Cytochrome P450 family 3","Protein Phosphatase","Cytochrome P450 family 2","Cytochrome P450 family 1","Protein Kinase","Serine protease","Cysteine protease CA clan","Nuclear hormone rece
ptor subfamily 1 group F","Metallo protease MAE clan","Cytochrome P450 family 3A","Serine/threonine/tyrosine protein phosphatase","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Cytochrome P4
50 family 1A","Atypical protein kinase group","Serine protease PA clan","Cysteine protease C19 family","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M34 family","Cytochrome
 P450 3A4","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochrome P450 1A1","Atypical protein kinase PIKK family","Cysteine protease C12 family","Cytochrome P450 2C19","Serine protease S1A subfamily"
,"Metallo protease M27 family"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","2.3.2.- Aminoacyltransferases","Nuclear hormone receptors","Cytochrome P450","Catecholamine turnover","1.13.11.- Dioxygenases","Kinases (EC 2.7.x.x)","
3.2.1.- Glycosidases","1.-.-.- Oxidoreductases","2.7.1.40 Pyruvate kinases","Eicosanoid turnover","Carboxylases and decarboxylases","CA: Cysteine (C) Peptidases","2.3.2.13 Transglutaminases","1F. Reti
noic acid-related orphans","CYP3 family","CYP2 family: drug metabolising subset","CYP1 family",Atypical,"Prostaglandin synthases",Carboxylases,"PA: Serine (S) Peptidases","C19: Ubiquitin-specific prot
ease","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","C12: Ubiquitin C-terminal hydrolase","S1: Chymotrypsin","Other PIKK family kinases"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Neuronal System","Cellular responses to external stimuli",Disease,"Immune System","DNA Repair","Cell Cycle","Metabolism of proteins",Hemostasis,"Signal T
ransduction","RNA Polymerase II Transcription","Metabolism of carbohydrates","Transmission across Chemical Synapses","Cellular responses to stress","Infectious disease","Metabolism of lipids","Metabol
ism of amino acids and derivatives","Innate Immune System","Biological oxidations","DNA Double-Strand Break Repair",Mitotic,"Cell Cycle Checkpoints","Diseases of metabolism","Metabolism of vitamins an
d cofactors","Post-translational protein modification","Platelet activation","signaling and aggregation","MAPK family signaling cascades","Diseases of hemostasis","Generic Transcription Pathway","Gluc
ose metabolism","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving medi
ators (SPMs)","Sulfur amino acid metabolism","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","Tryptophan catabolism","Homology Directed Repair","M Phase","Mitotic G2-G2/M phas
es","G1/S DNA Damage Checkpoints","Diseases of carbohydrate metabolism","Metabolism of water-soluble vitamins and cofactors",Deubiquitination,"Response to elevated platelet cytosolic Ca2+","Neutrophil
 degranulation","Triglyceride metabolism","MAPK1/MAPK3 signaling","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Metabolism of fat-soluble vitamins","Gamma carboxylati
on","hypusine formation and arylsulfatase activation","Transcriptional Regulation by TP53",Gluconeogenesis,"Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3",
"Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Degradation of cysteine and homocysteine","Toll L
ike Receptor 5 (TLR5) Cascade","Amine Oxidase reactions","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","G2/M Transition","p53-Dependent
 G1/S DNA damage checkpoint","Cytochrome P450 - arranged by substrate type","Glycogen storage diseases","Vitamins B6 activation to pyridoxal phosphate","p53-Independent G1/S DNA damage checkpoint","UC
H proteinases",Glycolysis,"Ethanol oxidation","Platelet degranulation","Triglyceride catabolism","RAF/MAP kinase cascade","Defective factor IX causes hemophilia B","Metabolism of vitamin K","Defective
 factor VIII causes hemophilia A",Gamma-carboxylation,transport,"and amino-terminal cleavage of proteins","Transcriptional regulation by RUNX2","Neurotoxicity of clostridium toxins","Regulation of TP5
3 Activity","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Sulfide oxidation to sulfate","MyD88 cascade initiated on plasma mem
brane","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Cyclin A/B1/B2 associated events during G2/M transiti
on","p53-Dependent G1 DNA Damage Response",Xenobiotics,"Glycogen storage disease type II (GAA)","p53-Independent DNA Damage Response","TP53 Regulates Metabolic Genes","TP53 Regulates Transcription of 
Cell Cycle Genes","Biosynthesis of D-series resolvins","Negative regulation of MAPK pathway","Defective gamma-carboxylation of F9","Defective F8 cleavage by thrombin","Defective F9 activation","Gamma-
carboxylation of protein precursors","RUNX2 regulates bone development","Toxicity of botulinum toxin type A (botA)","Regulation of TP53 Expression and Degradation","Activation of AMPK downstream of NM
DARs","Biosynthesis of maresin-like SPMs","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","Stabilization of p53","CYP2E1 reactions","Aromatic am
ines can be N-hydroxylated or N-dealkylated by CYP1A2","Ubiquitin Mediated Degradation of Phosphorylated Cdc25A","TP53 regulates transcription of additional cell cycle genes whose exact role in the p5
3 pathway remain uncertain","RUNX2 regulates osteoblast differentiation","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pa
iring and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AOX1,BGLAP,F10,F2,F7,F9,GGCX,NQO1,NQO2,PROC,PROS1,PROZ,VKORC1,VKORC1L1}

> <broad_moa>
{"mitochondrial DNA polymerase inhibitor","phosphatase inhibitor"}

> <synonyms>
{menadione,58-27-5,58275,"Vitamin K3","2-Methyl-1,4-naphthoquinone","2Methyl1,4naphthoquinone","2-methylnaphthalene-1,4-dione","2methylnaphthalene1,4dione",Menaphthone,Kayquinone,2-Methylnaphthoquinon
e,2Methylnaphthoquinone,"2-Methyl-1,4-naphthalenedione","2Methyl1,4naphthalenedione",Thyloquinone,Kappaxin,Klottone,Panosine,Kayklot,Kolklot,Menaphthon,Menadion,T0449,NSC4170,1502254,"NSC 4170",Menadi
one,MENADIONE,MNQ}

> <pdid>
PD001331

> <targets>
{}

> <classes>
{"prothrombogenic agent"}

> <pubchem_cids>
{4055}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    1.2443   -5.8182    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -2.6933   -6.3162    0.0000 O   0  0
   -0.7603   -8.0518    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  4  1  0
 12  7  1  0
  2 13  1  0
 13 14  1  0
 13 15  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11023

> <plate>
PLATE 001

> <well>
H3

> <supplier_cmpd_name>
L-Tryptophan

> <ctcr_id>
5478

> <supplier_cmpd_id>
T0439

> <smiles>
NC(Cc1c[nH]c2ccccc12)C(O)=O

> <pd_targets>
{LMNA,HCAR3,HTT,MPO,BLM,KDM4E,TSHR,FFP,CASR,KMT2A,MEN1,MAPT,TGR,GPR139,HIF1A,PMP22,SLC36A1,WARS2,TRPS,WARS1,CYP3A4,ALOX15}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor","Unclassified protein","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Carboxylic acid receptor","Hydroxycarboxylic acid r
eceptor",Enzyme,"Epigenetic regulator","Other cytosolic protein","Transcription factor",Transporter,Oxidoreductase,Eraser,Transferase,"Family C G protein-coupled receptor",Reader,"Electrochemical tran
sporter","Lysine demethylase","Peptide receptor (family A GPCR)","Ion receptor (family C GPCR)",Bromodomain,"SLC superfamily of solute carriers","Jumonji domain-containing","Glycohormone receptor","Ca
lcium sensing receptor","SLC36 family of proton-coupled amino acid transporters","Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Hydroxycarboxylic acid receptors",Enzymes,Transporters,"1.-.-.- Oxidoreductases","Chromatin modifying enzymes","SLC superfamily of solute carriers","1.14.11.-
 Histone demethylases","Glycoprotein hormone receptors","Calcium-sensing receptor","Orphan and other 7TM receptors","SLC36 family of proton-coupled amino acid transporters","Class A Orphans","Cytochro
me P450","Eicosanoid turnover","CYP3 family",Lipoxygenases}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction","Gene expression (Transcription)",Mitotic,"Signaling by GPCR","RNA Polymerase II Transcription","M Phase","GPCR ligand binding","Generic Transcription Pathway","Mit
otic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by MECP2","Mitotic Anaphase","Hydroxycarboxylic acid-binding receptors","Regulation of MECP2 expression 
and activity","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation","Immune System","DNA Repair",Disease,"Neuronal System","Cellular responses to external stimuli","Deve
lopmental Biology","Transport of small molecules","Metabolism of proteins","Innate Immune System","DNA Double-Strand Break Repair","Infectious disease","Transmission across Chemical Synapses","Cellula
r responses to stress","Nervous system development","SLC-mediated transmembrane transport",Translation,"ROS and RNS production in phagocytes","Homology Directed Repair","Leishmania infection","GPCR do
wnstream signalling","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Transport of ino
rganic cations/anions and amino acids/oligopeptides","tRNA Aminoacylation","Events associated with phagocytolytic activity of PMN cells","HDR through Homologous Recombination (HRR) or Single Strand An
nealing (SSA)","Leishmania parasite growth and survival","G alpha (i) signalling events","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline hydroxylation of Hypoxia-induc
ible Factor Alpha","Amino acid transport across the plasma membrane","Mitochondrial tRNA aminoacylation","Cytosolic tRNA aminoacylation","HDR through Homologous Recombination (HRR)","Anti-inflammatory
 response favouring Leishmania parasite infection","Post NMDA receptor activation events","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Activa
tion of AMPK downstream of NMDARs","Presynaptic phase of homologous DNA pairing and strand exchange",Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Bios
ynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Biosynthesis of maresins","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins
 and resolvins"}

> <broad_targets>
{CASR,IDO1,SLC36A1,WARS,WARS2}

> <broad_moa>
{"serotonin receptor partial agonist"}

> <synonyms>
{2-azaniumyl-3-(1H-indol-3-yl)propanoate,2azaniumyl3(1Hindol3yl)propanoate,"D-Tryptophan, 20","DTryptophan, 20","L-Tryptophan, 5","LTryptophan, 5","tryptophan zwitterion",BDBM92685,CHEBI:64554,2-ammon
io-3-(1H-indol-3-yl)propanoate,2ammonio3(1Hindol3yl)propanoate,DL-Tryptophan,DLTryptophan,54-12-6,54126,"2-amino-3-(1H-indol-3-yl)propanoic acid","2amino3(1Hindol3yl)propanoic acid","Racemic Tryptopha
n",T0439,T4806,1500600,L-Tryptophan,D-Tryptophan,TRYPTOPHAN}

> <pdid>
PD001170

> <targets>
{}

> <classes>
{antidepressant,"nutrient; LD50(rat) 1634 mg/kg ip"}

> <pubchem_cids>
{4099458,1148}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 11  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11024

> <plate>
PLATE 001

> <well>
H4

> <supplier_cmpd_name>
Glucosamine

> <ctcr_id>
6285

> <supplier_cmpd_id>
T0429

> <smiles>
OCC(O)C(O)C(O)C(O)C=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"Mannose, D-","Mannose, D","2,3,4,5,6-pentahydroxyhexanal","2,3,4,5,6pentahydroxyhexanal",Aldohexose,L-(-)-Glucose,L()Glucose,"Galactose, L- (8CI)","Galactose, L (8CI)",50-99-7,50997,1990-29-0,199029
0,2595-97-3,2595973,CHEBI:33917,"Dextrose (polymer)",NSC406891,15572-79-9,15572799,93780-23-5,93780235,"D-(+) Glucose","D(+) Glucose",D-(-)-GULOSE,D()GULOSE,Sirup,"Glucose liquid",Sugar,gra,T0429,S212
3,Glucosamine,Dextrose}

> <pdid>
PD144372

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{24749}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 28  0  0  0  0            999 V2000
   25.7998    0.3750    0.0000 Ca  0  2
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0
    7.7999   -1.5000    0.0000 O   0  0
    9.0999    0.7500    0.0000 C   0  0
    9.0999    2.2500    0.0000 O   0  5
   10.3992    0.0004    0.0000 O   0  0
   12.9006    0.0004    0.0000 O   0  0
   14.1999    0.7500    0.0000 C   0  0
   15.4999    0.0000    0.0000 C   0  0
   15.4999   -1.5000    0.0000 O   0  0
   16.7999    0.7500    0.0000 C   0  0
   16.7999    2.2500    0.0000 O   0  0
   18.0999    0.0000    0.0000 C   0  0
   18.0999   -1.5000    0.0000 O   0  0
   19.3999    0.7500    0.0000 C   0  0
   19.3999    2.2500    0.0000 O   0  0
   20.6999    0.0000    0.0000 C   0  0
   20.6999   -1.5000    0.0000 O   0  0
   21.9999    0.7500    0.0000 C   0  0
   21.9999    2.2500    0.0000 O   0  5
   23.2991    0.0004    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  2  0
M  CHG  3   1   2  15  -1  30  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11025

> <plate>
PLATE 001

> <well>
H5

> <supplier_cmpd_name>
Calcium gluconate

> <ctcr_id>
2113

> <supplier_cmpd_id>
T0411

> <smiles>
[Ca++].OCC(O)C(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C(O)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"calcium heptonate","Calcium glucoheptonate","D-glycero-D-gulo-Heptonic acid, calcium salt (2:1)","DglyceroDguloHeptonic acid, calcium salt (2:1)","CALCIUM GLUCEPTATE","calcium;2,3,4,5,6,7-hexahydrox
yheptanoate","calcium;2,3,4,5,6,7hexahydroxyheptanoate",29039-00-7,29039007,"a-D-Glucoheptonic acid calcium salt","aDGlucoheptonic acid calcium salt",DB-043867,DB043867,FT-0623394,FT0623394,F,T0416,T0
411,S4311,"Sodium gluconate","Calcium gluconate","Calcium Gluceptate"}

> <pdid>
PD002528

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3665461,109291}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    4.0559   -4.4171    0.0000 N   0  0
    4.8090   -5.7153    0.0000 C   0  0
    6.3090   -5.7153    0.0000 C   0  0
    7.0591   -7.0143    0.0000 C   0  0
    6.3092   -8.3134    0.0000 C   0  0
    4.8092   -8.3134    0.0000 C   0  0
    4.0591   -7.0144    0.0000 C   0  0
    7.0570   -9.6146    0.0000 C   0  0
    8.5570   -9.6172    0.0000 N   0  0
    6.3052  -10.9126    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2947    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -2.6009    2.9941    0.0000 C   0  0
   -2.5962    1.4933    0.0000 C   0  0
   -3.8931    0.7380    0.0000 C   0  0
   -5.1947    1.4836    0.0000 O   0  0
   -3.8885   -0.7620    0.0000 O   0  0
   -1.3069    5.2503    0.0000 C   0  0
   -0.0115    6.0065    0.0000 C   0  0
   -0.0188    7.5065    0.0000 C   0  0
   -1.3214    8.2503    0.0000 C   0  0
   -2.6168    7.4940    0.0000 C   0  0
   -2.6096    5.9940    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 12 14  2  0
  3 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  2  1  0
 21 16  1  0
 18 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 24 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11026

> <plate>
PLATE 001

> <well>
H6

> <supplier_cmpd_name>
Dabigatran etexilate

> <ctcr_id>
7484

> <supplier_cmpd_id>
T0389

> <smiles>
Cn1c(CNc2ccc(cc2)C(N)=N)nc3cc(ccc13)C(=O)N(CCC(O)=O)c4ccccn4

> <pd_targets>
{F2,PLG,NQO2,HPN,PLAT,PRSS1,PRSS2,PRSS3,F10,PROC,SLC47A2,SLC47A1,SLC22A2}

> <pathway_gtopdb>
{Enzyme,Transporter,Protease,Oxidoreductase,"Electrochemical transporter","Serine protease","SLC superfamily of solute carriers","Serine protease PA clan","SLC47 family of multidrug and toxin extrusio
n transporters","SLC22 family of organic cation and anion transporters","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Peptidases and proteinases","SLC superfamily of solute carriers","PA: Serine (S) Peptidases","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organi
c cation and anion transporters","S1: Chymotrypsin","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Disease,Hemostasis,Metabolism,"Signal Transduction","Metabolism of proteins","Transport of small molecules","Diseases of hemostasis","Platelet activation","signaling and aggregation","Biological oxid
ations","Signaling by Receptor Tyrosine Kinases","Post-translational protein modification","SLC-mediated transmembrane transport","Defects of contact activation system (CAS) and kallikrein/kinin syste
m (KKS)","Response to elevated platelet cytosolic Ca2+","Phase I - Functionalization of compounds","Signaling by MET","Signaling by PDGF","Gamma carboxylation","hypusine formation and arylsulfatase ac
tivation","Transport of bile salts and organic acids","metal ions and amine compounds","Defective factor VIII causes hemophilia A","Platelet degranulation","MET Receptor Activation","Defective factor 
IX causes hemophilia B",Gamma-carboxylation,transport,"and amino-terminal cleavage of proteins","Organic cation/anion/zwitterion transport","Defective F8 cleavage by thrombin","Defective F9 variant do
es not activate FX","Gamma-carboxylation of protein precursors","Organic cation transport"}

> <broad_targets>
{F2}

> <broad_moa>
{"thrombin inhibitor"}

> <synonyms>
{A815190,Dabigatran,211914-51-1,211914511,"BIBR 953",BIBR-953,BIBR953,CHEBI:70752,"BIBR 953 (Dabigatran, Pradaxa)",UNII-I0VM4M70GC,UNIII0VM4M70GC,I0VM4M70GC,"BIBR 953 ZW",CHEMBL48361,C25H25N7O3,121060
8-88-0,1210608880,Dabigatran-(13C6),Dabigatran(13C6),"Dabigatran-D3 solution","DabigatranD3 solution","Dabigatran (USAN/INN)",T6295,S2196,"Dabigatran Etexilate"}

> <pdid>
PD012976

> <targets>
{Thrombin}

> <classes>
{}

> <pubchem_cids>
{216210}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 22  0  0  0  0            999 V2000
   10.3003    3.3775    0.0000 Cl  0  5
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 N   0  3
   -3.9118    8.2481    0.0000 C   0  0
   -3.9149    9.7481    0.0000 C   0  0
   -1.3140    8.2549    0.0000 C   0  0
   -1.3188    9.7549    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
  9 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
M  CHG  2   1  -1  19   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11027

> <plate>
PLATE 001

> <well>
H7

> <supplier_cmpd_name>
Oxybuprocaine hydrochloride

> <ctcr_id>
6589

> <supplier_cmpd_id>
T0378

> <smiles>
[Cl-].CCCCOc1cc(ccc1N)C(=O)OCC[NH+](CC)CC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Benoxinate hydrochloride",5987-82-6,5987826,"oxybuprocaine hydrochloride","2-(Diethylamino)ethyl 4-amino-3-butoxybenzoate hydrochloride","2(Diethylamino)ethyl 4amino3butoxybenzoate hydrochloride","O
xybuprocaine HCL","Benoxinate HCL",Cebesine,Conjuncain,Lacrimin,Novesin,Novesina,Novesine,UNII-0,UNII0,S4229,Prestw-57,"Oxybuprocaine HCl"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6420040,22304,74764738}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -5.1984   -1.4978    0.0000 C   0  0
   -6.4971   -0.7455    0.0000 C   0  0
   -7.7984   -1.4932    0.0000 C   0  0
   -9.0975   -0.7433    0.0000 C   0  0
  -10.3965   -1.4933    0.0000 C   0  0
  -10.3966   -2.9933    0.0000 C   0  0
   -9.0975   -3.7433    0.0000 C   0  0
   -7.7985   -2.9933    0.0000 C   0  0
  -11.6963   -3.7436    0.0000 S   0  0
  -11.6959   -5.2436    0.0000 O   0  0
  -12.9950   -4.4942    0.0000 O   0  0
  -12.9965   -2.9940    0.0000 N   0  0
  -14.2963   -3.7444    0.0000 C   0  0
  -14.2959   -5.2444    0.0000 O   0  0
  -15.5965   -2.9948    0.0000 N   0  0
  -16.8963   -3.7452    0.0000 C   0  0
  -18.1969   -2.9979    0.0000 C   0  0
  -19.4944   -3.7505    0.0000 C   0  0
  -19.4914   -5.2505    0.0000 C   0  0
  -18.1909   -5.9979    0.0000 C   0  0
  -16.8933   -5.2453    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2817    2.2191    0.0000 C   0  0
   -3.9144    2.2193    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 27  1  0
 11 33  1  0
 33 34  2  0
 33 35  1  0
 35  6  1  0
 35 36  1  0
 35 37  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11028

> <plate>
PLATE 001

> <well>
H8

> <supplier_cmpd_name>
Gliquidone

> <ctcr_id>
5732

> <supplier_cmpd_id>
T0371

> <smiles>
COc1ccc2c(c1)C(=O)N(CCc3ccc(cc3)[S](=O)(=O)NC(=O)NC4CCCCC4)C(=O)C2(C)C

> <pd_targets>
{HPGD,LMNA,HIF1A,ALD,CYP3A4,CYP2C9,HSD17B10,KDM4E,AMPC,ABCC3,ABCC4,ABCB11,ABCC8,KCNJ8}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Epigenetic regulator",Transporter,"Ion channel","Cytochrome P450",Oxidoreductase,Eraser,Hydrolase,"Primary active transporter","Voltage-gated io
n channel","Cytochrome P450 family 3","Cytochrome P450 family 2","Lysine demethylase","ATP-binding cassette","Potassium channels","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Jumonji domai
n-containing","ABCC subfamily","ABCB subfamily","Inwardly rectifying potassium channel","Cytochrome P450 3A4","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,Transporters,"Ion channels","Eicosanoid turnover","Cytochrome P450","Chromatin modifying enzymes","ATP-binding cassette transporter family","Voltage-gated ion channels","Prostaglandin synthas
es","CYP3 family","CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","ABCC subfamily","ABCB subfamily","Potassium channels","Inwardly rectifying potassium channels"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Cellular responses to external stimuli",Hemostasis,Disease,"Neuronal System","Metabolism of lipids",Mitotic,"Cellular responses to stress","Biological oxidations","Metabolism
 of amino acids and derivatives","Platelet activation","signaling and aggregation","Disorders of transmembrane transporters","Potassium Channels","Biosynthesis of specialized proresolving mediators (S
PMs)","M Phase","Cellular response to hypoxia","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","Metabolism of steroids","Response to elevated platelet cytosolic Ca2+"
,"ABC transporter disorders","Inwardly rectifying K+ channels","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor A
lpha","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Platelet degranulation","Defective ABCC8 can cause hypo- and hyper-glycemias","ATP sensitive Potassium channe
ls","Biosynthesis of D-series resolvins","Mitotic Anaphase","Biosynthesis of maresins",Xenobiotics,"Recycling of bile acids and salts","Synthesis of bile acids and bile salts","Nuclear Envelope (NE) R
eassembly","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ABCC8,KCNJ10,KCNJ8}

> <broad_moa>
{sulfonylurea}

> <synonyms>
{Gliquidone,33342-05-1,33342051,Glurenorm,Gliquidonum,"ARDF 26",C27H33N3O6S,UNII-C7C2QDD75P,UNIIC7C2QDD75P,Beglynor,MFCD00631870,C7C2QDD75P,ARDF-26,ARDF26,NCGC00016819-01,NCGC0001681901,Gliquidona,CAS
-33342-05-1,CAS33342051,DSSTox_CID_3096,DSSToxCID3096,DSSTox-CID-3096,"DSSTox CID 3096",DSSTox_RID_76873,DSSToxRID76873,DSSTox-RID-76873,"DSSTox RID 76873",DSSTox_GSID_23096,DSSToxGSID23096,DSSTox-GSI
D-23096,"DSSTox GSID 23096","Gliquidonum (INN-Latin)","Gliquidonum (INNLatin)",G,T0371,Prestw-991}

> <pdid>
PD000480

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{91610}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    2.5532   -4.4223    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    4.4166   -3.9866    0.0000 O   0  0
    6.3501   -2.2517    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1578   -3.7735    0.0000 C   0  0
   -3.1610   -4.8886    0.0000 C   0  0
   -4.6284   -4.5775    0.0000 C   0  0
   -5.0926   -3.1511    0.0000 C   0  0
   -4.0895   -2.0359    0.0000 C   0  0
   -2.6221   -2.3471    0.0000 C   0  0
   -6.5602   -2.8368    0.0000 S   0  0
   -7.5653   -3.9502    0.0000 C   0  0
   -7.0224   -1.4097    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  3  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
 15  2  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  1  0
 23 25  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11029

> <plate>
PLATE 001

> <well>
H9

> <supplier_cmpd_name>
Sulindac

> <ctcr_id>
4819

> <supplier_cmpd_id>
T0459

> <smiles>
CC\1=C(CC(O)=O)c2cc(F)ccc2C1=C\c3ccc(cc3)[S](C)=O

> <pd_targets>
{PMP22,CYP2C19,RORC,GLO1,RXRA,PTGS2,MAPK1,CYP3A4,CYP2C9,PTGS1,KDM4E,MAPT,CYP1A2,LMNA,ALDH1A1,ABCB11,NPSR1,AKR1B1,C5,FFP,PTGES,GLRA1,MAPK3,PPARD,PTGDR2,AKR1B10,KMT2A,TGR}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Transcription factor","Epigenetic regulator","Other cytosolic protein","Other nuclear protein",Transporter,"Membrane receptor","Secreted protein","Ion channel","Cytochr
ome P450","Nuclear receptor",Lyase,Oxidoreductase,Kinase,Eraser,"Primary active transporter","Family A G protein-coupled receptor",Transferase,Isomerase,"Ligand-gated ion channel",Reader,"Cytochrome P
450 family 2","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 2","Protein Kinase","Cytochrome P450 family 3","Lysine demethylase","Cytochrome P450 family 1","ATP-binding cas
sette","Peptide receptor (family A GPCR)","Glycine receptor","Small molecule receptor (family A GPCR)",Bromodomain,"Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","Nuclear h
ormone receptor subfamily 2 group B","CMGC protein kinase group","Cytochrome P450 family 3A","Jumonji domain-containing","Cytochrome P450 family 1A","ABCB subfamily","Short peptide receptor (family A 
GPCR)","Nuclear hormone receptor subfamily 1 group C","Lipid-like ligand receptor (family A GPCR)","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone recep
tor subfamily 2 group B member 1","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 1A1","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 grou
p C member 2","Prostanoid receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","Nuclear hormone receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","ATP-binding cassette transporte
r family","G protein-coupled receptors","1.-.-.- Oxidoreductases","Ligand-gated ion channels","CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","2B. Retinoid X receptors",Cyc
looxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","1.14.11.- Histone demethylases","CYP1 family","ABCB subfamily","Neuropeptide S receptor","Prostaglandin synthases","Glycine r
eceptors","1C. Peroxisome proliferator-activated receptors","Prostanoid receptors","2.1.1.43 Histone methyltransferases (HMTs)","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Developmental Biology",Metabolism,"Gene expression (Transcription)","Immune System","Neuronal System","Cell Cycle",Disease,"Signal Transduction","Nervous system development","Biological oxidations",
"RNA Polymerase II Transcription","The citric acid (TCA) cycle and respiratory electron transport","Metabolism of lipids","Innate Immune System","Transmission across Chemical Synapses",Mitotic,"Infect
ious disease","Signaling by GPCR","Metabolism of vitamins and cofactors","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Phase I - Functionalization of compounds","Generic Transcript
ion Pathway","Pyruvate metabolism and Citric Acid (TCA) cycle","Metabolism of steroids","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Fatty acid metabolism
","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Leishmania infection","GPCR ligand binding","Metabolism of fat-soluble vitamins","Cytochrome P450 - arranged by substrate
 type","Transcriptional regulation by RUNX3","Pyruvate metabolism","Bile acid and bile salt metabolism","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-de
rived SPMs","Arachidonic acid metabolism","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Ethanol oxidation","Leishmania parasite growth and survival","Metabol
ism of steroid hormones","Class A/1 (Rhodopsin-like receptors)","Retinoid metabolism and transport","Transcriptional regulation by RUNX1",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migratio
n","Synthesis of bile acids and bile salts","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Synthesis of Prostaglandins (PG) and Thromboxanes (TX
)","Post NMDA receptor activation events","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Pregnenolone biosynthesis","Peptide ligand-binding receptors","Regula
tion of pyruvate dehydrogenase (PDH) complex","Eicosanoid ligand-binding receptors","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","CYP2E1 reactions","Synthesi
s of bile acids and bile salts via 27-hydroxycholesterol","MAP kinase activation","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Aromatic amines can be N-hydroxylated o
r N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","ADORA2B mediated anti-inflammatory cytokines production","Prostano
id ligand receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AKR1B1}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{J012337,SR-01000075237-2,SR010000752372,sulindac,Clinoril,38194-50-2,38194502,Arthrocine,Sulindaco,Sulindacum,Aflodac,"Sulindac sulfoxide",Sulreuma,Mobilin,"cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl
)benzylidene)indene-3-acetic acid","cis5Fluoro2methyl1((pmethylsulfinyl)benzylidene)indene3acetic acid",CHEBI:9352,"MK 231",Algocetil,A,T0459,SAM002554933,1500556,Prestw-73,Sulindac,CPD000326718,SULIN
DAC}

> <pdid>
PD001740

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{1548887}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 23  0  0  0  0            999 V2000
   11.4915   -1.5060    0.0000 H   0  3
    8.9915   -1.5060    0.0000 Cl  0  5
   -2.6041   -2.9866    0.0000 C   0  0
   -1.3074   -3.7406    0.0000 N   0  0
   -0.0048   -2.9950    0.0000 C   0  0
    1.2926   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5030    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -2.5998    3.0004    0.0000 F   0  0
   -3.8976    0.7500    0.0000 F   0  0
   -3.8982    2.2498    0.0000 F   0  0
    3.8934   -3.7569    0.0000 C   0  0
    5.1961   -3.0132    0.0000 C   0  0
    6.4915   -3.7695    0.0000 C   0  0
    6.4843   -5.2694    0.0000 C   0  0
    5.1817   -6.0132    0.0000 C   0  0
    3.8862   -5.2570    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  7 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11030

> <plate>
PLATE 001

> <well>
H10

> <supplier_cmpd_name>
Fluoxetine

> <ctcr_id>
5037

> <supplier_cmpd_id>
T0450

> <smiles>
[H+].[Cl-].CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2

> <pd_targets>
{SLC6A4,ACHE,HTT,CYP2C19,ADRA1A,ADRA1B,ADRA1D,SLC6A3,ALB,HRH3,SLC6A2,HTR1A,HTR1B,HTR1D,HTR1F,KCNH2,KCNJ6,HTR2C,SLC29A4,NET,LMNA,SIGMAR1,HTR2B,ADRA2A,ADRA2B,ADRA2C,HTR2A,KCNC1,HTR6,KMT2A,MEN1,FTL,PMP22
,HPGD,GMNN,CYP3A4,CHRM5,KCNK2,MTOR,CHRM3,CACNA1C,CYP2D6,CHRM1,ANO1,CHRNA2,CHRNA3,CHRNB4,APEX1,AMPC,ALDH1A1,KDM4E,LEF,RORC,TP53,TSHR,CYP2C9,CYP1A2,NFKB1,ALOX15,THPO,HRH1,MAPK1,ARRB2}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC06 neurotransmitter transporter family",Enzyme,"Unclassified protein","Membrane receptor","Secreted protein","Ion ch
annel","Other nuclear protein","Epigenetic regulator",Hydrolase,"Cytochrome P450","Family A G protein-coupled receptor","Voltage-gated ion channel",Reader,Kinase,"Other ion channel","Ligand-gated ion 
channel","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Potassium channels",Bromodomain,"Cytochrome P450 family 3","Protein Kinase","Voltage-gated calcium channel","Chloride cha
nnel","Nicotinic acetylcholine receptor","Cytochrome P450 family 2C","Monoamine receptor","Voltage-gated potassium channel","Inwardly rectifying potassium channel","SLC28 and SLC29 families of nucleos
ide transporters","Cytochrome P450 family 3A","Two-pore domain potassium channel","Atypical protein kinase group","Cytochrome P450 family 2D","Calcium-activated chloride channel","Nicotinic acetylchol
ine receptor alpha subunit","Nicotinic acetylcholine receptor beta subunit","Cytochrome P450 2C19","Adrenergic receptor","Histamine receptor","Serotonin receptor","SLC29 Facilitative nucleoside transp
orter family","Cytochrome P450 3A4","Acetylcholine receptor","Atypical protein kinase PIKK family","Cytochrome P450 2D6","Atypical protein kinase FRAP subfamily","Transcription factor","Other cytosoli
c protein",Oxidoreductase,Eraser,Protease,"Nuclear receptor","Lysine demethylase","Metallo protease","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Cytochrome P450 family 1
","Jumonji domain-containing","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Glycohormone receptor","Cytochrome P450 family 1A","CMGC protein kinase group","Metallo protea
se M34 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Cytochrome P450 1A1","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC6 neurotransmitter transporter family","Monoamine transporter subfamily",Enzymes,Receptors,"Ion channels","Other protein targets","Acetylcholine 
turnover","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","Sigma receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Other ion channels","Ligand-gated ion channels","
CYP2 family: drug metabolising subset","Histamine receptors","Potassium channels","5-Hydroxytryptamine receptors","SLC28 and SLC29 families of nucleoside transporters","Prostaglandin synthases","CYP3 
family",Adrenoceptors,"Acetylcholine receptors (muscarinic)",Atypical,"Voltage-gated calcium channels","Chloride channels","Nicotinic acetylcholine receptors","Voltage-gated potassium channels","Inwar
dly rectifying potassium channels","SLC29 family","Two P domain potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Calcium activated chloride channel","FRAP subfamily
","Chromatin modifying enzymes","Nuclear hormone receptors","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","Glycoprotein hormone receptors","CYP1 family",Lipoxygenases,"CMGC: Con
taining CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter clearance","Serotonin clearance from the synaptic cleft",Metabolism,"Gene expression (Transcription)",Disease,"Signal Trans
duction","Muscle contraction","Transport of small molecules","Cell Cycle","Vesicle-mediated transport","Developmental Biology","Metabolism of lipids","RNA Polymerase II Transcription","Biological oxid
ations","Disorders of transmembrane transporters","Signaling by GPCR","Cardiac conduction","SLC-mediated transmembrane transport",Mitotic,"Infectious disease","Potassium Channels","Membrane Traffickin
g","Nervous system development","Ion channel transport","Phospholipid metabolism","Generic Transcription Pathway","Phase I - Functionalization of compounds","SLC transporter disorders","Metabolism of 
steroids","GPCR ligand binding","Phase 3 - rapid repolarisation","Neurotransmitter receptors and postsynaptic signal transmission","Transport of vitamins",nucleosides,"and related molecules","M Phase"
,"SARS-CoV Infections","Voltage gated Potassium channels","Leishmania infection","trans-Golgi Network Vesicle Budding","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of
 specialized proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Tandem pore domain potassium channels","Axon guidance","Stimuli-sensing channels","Glycerophospholipid biosynthesis"
,"Transcriptional Regulation by MECP2","Cytochrome P450 - arranged by substrate type","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Bile acid and bile salt metabolism","Class A/1 
(Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","GABA receptor activation","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane"
,"Mitotic Metaphase and Anaphase","Potential therapeutics for SARS","Leishmania parasite growth and survival","Golgi Associated Vesicle Biogenesis","Biosynthesis of DHA-derived SPMs","G1/S Transition"
,"TWIK related potassium channel (TREK)","Transcriptional Regulation by TP53","NCAM signaling for neurite out-growth","Acetylcholine binding and downstream events","Synthesis of PC","Regulation of MEC
P2 expression and activity",Xenobiotics,"Recycling of bile acids and salts","Amine ligand-binding receptors","GABA B receptor activation","Mitotic Anaphase","Anti-inflammatory response favouring Leish
mania parasite infection","Biosynthesis of D-series resolvins","Activation of the pre-replicative complex","Biosynthesis of maresins","Regulation of TP53 Activity","NCAM1 interactions","Postsynaptic n
icotinic acetylcholine receptors","CYP2E1 reactions","Histamine receptors","Activation of GABAB receptors","Serotonin receptors","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory 
cytokines production","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Muscarinic acetylcholine receptors","Regulation of TP53 Expression and Degradation","Highly calcium permeable postsynaptic nico
tinic acetylcholine receptors","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","DNA Repair","Im
mune System",Hemostasis,"Base Excision Repair","Cell Cycle Checkpoints","Cytokine Signaling in Immune system","Platelet activation","signaling and aggregation","Innate Immune System","Resolution of Ab
asic Sites (AP sites)","Uptake and actions of bacterial toxins","G1/S DNA Damage Checkpoints","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","Toll-like Receptor Cascades","Resolut
ion of AP sites via the multiple-nucleotide patch replacement pathway","Ethanol oxidation","Uptake and function of anthrax toxins","Transcriptional regulation by RUNX3","p53-Dependent G1/S DNA damage 
checkpoint","Interleukin-1 family signaling","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","PCNA-Dependent Long Patch Base Excision Repair","RUNX3 Regulates Immune Response 
and Cell Migration","p53-Dependent G1 DNA Damage Response","Interleukin-1 signaling","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Stabilization of p53","Aromatic amines 
can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","Autodegradation of the
 E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ANO1,HTR2B,SLC6A4}

> <broad_moa>
{"selective serotonin reuptake inhibitor (SSRI)"}

> <synonyms>
{"FLUOXETINE HYDROCHLORIDE",56296-78-7,56296787,"Fluoxetine Hcl",Prozac,59333-67-4,59333674,Sarafem,"Fluoxetine (hydrochloride)",Fluoxeren,Adofen,Fluctin,Lovan,Fluctine,Fluoxac,Fludac,Fluxil,Fontex,"L
Y 110140",LY-110140,LY110140,MFCD00214288,Reconcile,Self,T0450,T0450L,S1333,SAM002589965,1504173,Prestw-511,Fluoxetine,"Fluoxetine hydrochloride","Fluoxetine HCl",CPD000058452,FLUOXETINE}

> <pdid>
PD004343

> <targets>
{"5-HT Receptor"}

> <classes>
{antidepressant,"Neuronal Signaling"}

> <pubchem_cids>
{62857,657320,11824156}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    4.1718    0.3758    0.0000 N   0  0
    3.1497   -0.7220    0.0000 C   0  0
    3.5898   -2.1560    0.0000 O   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1476   -0.7184    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19  4  1  0
 19 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11031

> <plate>
PLATE 001

> <well>
H11

> <supplier_cmpd_name>
Oxcarbazepine

> <ctcr_id>
249

> <supplier_cmpd_id>
T0440

> <smiles>
NC(=O)N1c2ccccc2CC(=O)c3ccccc13

> <pd_targets>
{KMT2A,ALD,BLM,FFP,CYP3A4,MAPT,KDM4E,NS1,MEN1,ALDH1A1,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,SCN1B,SCN2B,SCN3B,SCN4B}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other cytosolic protein","Unclassified protein","Ion channel",Reader,Transferase,"Cytochrome P450",Eraser,Oxidoreductase,"Voltage-gated ion channel",Bromodomain,"Cytoch
rome P450 family 3","Lysine demethylase","Voltage-gated sodium channel","Cytochrome P450 family 3A","Jumonji domain-containing","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","2.1.1.43 Histone methyltransferases (HMTs)","CYP3 family","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair",Metabolism,"Neuronal System","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Metabolism of lipids","Transmission across Chemical Syn
apses","Biological oxidations","Generic Transcription Pathway","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signa
l transmission","Phase I - Functionalization of compounds","Transcriptional regulation by RUNX1","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-deri
ved SPMs","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","HDR through Homologous Rec
ombination (HRR)","Biosynthesis of maresins","Post NMDA receptor activation events","Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of N
MDARs","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{OXCARBAZEPINE,28721-07-5,28721075,Trileptal,Oxcarbamazepine,Oxcarbazepina,Oxcarbazepinum,"10-Oxo-10,11-dihydro-5H-dibenzo(b,f)azepine-5-carboxamide","10Oxo10,11dihydro5Hdibenzo(b,f)azepine5carboxamid
e","GP 47680",5-oxo-6H-benzo(b)(1)benzazepine-11-carboxamide,5oxo6Hbenzo(b)(1)benzazepine11carboxamide,KIN-493,KIN493,GP-47680,GP47680,10,11-Dihydro-10-oxo-5H-d,11Dihydro10oxo5Hd,T0440,SAM001246754,15
04243,Prestw-1156,Oxcarbazepine,CPD000048684}

> <pdid>
PD001213

> <targets>
{Apoptosis,Sodium Channel}

> <classes>
{antipsychotic,Apoptosis,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{34312}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 48 50  0  0  0  0            999 V2000
   30.8551   -0.9588    0.0000 O   0  0
   -1.8778    2.7573    0.0000 C   0  0
   -1.0947    1.4779    0.0000 N   0  0
    0.0000    0.6568    0.0000 C   0  0
   -0.6568   -0.6386    0.0000 C   0  0
   -1.8063   -1.3319    0.0000 C   0  0
   -0.8393    0.0000    0.0000 C   0  0
    0.9488    0.0000    0.0000 C   0  0
    1.8975   -0.8028    0.0000 C   0  0
    1.6421    0.6933    0.0000 C   0  0
    2.6654   -2.0798    0.0000 O   0  0
    4.1661   -2.0555    0.0000 C   0  0
    4.8945   -0.7443    0.0000 O   0  0
    4.9382   -3.3425    0.0000 C   0  0
    4.2067   -4.6529    0.0000 C   0  0
    2.7069   -4.6756    0.0000 O   0  0
    6.4389   -3.3181    0.0000 C   0  0
    7.2125   -4.6033    0.0000 C   0  0
    8.7123   -4.5759    0.0000 C   0  0
    9.4385   -3.2634    0.0000 C   0  0
    8.6649   -1.9783    0.0000 C   0  0
    7.1652   -2.0056    0.0000 C   0  0
   11.9389    2.7573    0.0000 C   0  0
   12.7219    1.4779    0.0000 N   0  0
   13.8166    0.6568    0.0000 C   0  0
   13.1598   -0.6386    0.0000 C   0  0
   12.0103   -1.3319    0.0000 C   0  0
   12.9773    0.0000    0.0000 C   0  0
   14.7654    0.0000    0.0000 C   0  0
   15.7141   -0.8028    0.0000 C   0  0
   15.4587    0.6933    0.0000 C   0  0
   16.4820   -2.0798    0.0000 O   0  0
   17.9827   -2.0555    0.0000 C   0  0
   18.7111   -0.7443    0.0000 O   0  0
   18.7549   -3.3425    0.0000 C   0  0
   18.0233   -4.6529    0.0000 C   0  0
   16.5235   -4.6756    0.0000 O   0  0
   20.2555   -3.3181    0.0000 C   0  0
   21.0291   -4.6033    0.0000 C   0  0
   22.5289   -4.5759    0.0000 C   0  0
   23.2551   -3.2634    0.0000 C   0  0
   22.4815   -1.9783    0.0000 C   0  0
   20.9818   -2.0056    0.0000 C   0  0
   27.0551    0.5412    0.0000 O   0  0
   27.0551   -0.9588    0.0000 S   0  0
   25.7558   -1.7084    0.0000 O   0  0
   28.3543   -1.7084    0.0000 O   0  0
   27.0551   -2.4588    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  4  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 24  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 25  1  0
 30 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 35 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 38  1  0
 44 45  1  0
 45 46  2  0
 45 47  2  0
 45 48  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11032

> <plate>
PLATE 002

> <well>
A2

> <supplier_cmpd_name>
Atropine sulfate monohydrate

> <ctcr_id>
660

> <supplier_cmpd_id>
T0375L

> <smiles>
O.CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3.CN4C5CCC4CC(C5)OC(=O)C(CO)c6ccccc6.OS(=O)(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Atropine sulfate monohydrate",CHEMBL4303419,DTXSID3040724,HMS3713B12,5908-99-6,5908996,"5908 99 6",AKOS015895631,CCG-220565,CCG220565,"CCG 220565",Prestw-565}

> <pdid>
PD002296

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{66509063}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 36  0  0  1  0            999 V2000
    5.0987    4.5037    0.0000 Ca  0  2
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -6.4971    0.7455    0.0000 N   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -9.0975    0.7432    0.0000 C   0  0
  -10.3965    1.4932    0.0000 C   0  0
  -10.3966    2.9932    0.0000 C   0  0
   -9.0976    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
  -11.6948    3.7462    0.0000 C   0  0
  -12.9951    2.9985    0.0000 O   0  0
  -11.6927    5.2471    0.0000 N   0  0
  -12.9910    6.0001    0.0000 C   0  0  1  0  0  0
  -12.9889    7.5009    0.0000 C   0  0
  -14.2871    8.2540    0.0000 C   0  0
  -14.2850    9.7548    0.0000 C   0  0
  -12.9847   10.5026    0.0000 O   0  5
  -15.5825   10.5074    0.0000 O   0  0
  -14.2935    5.2546    0.0000 C   0  0
  -14.2987    3.7546    0.0000 O   0  5
  -15.5902    6.0087    0.0000 O   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.6012    3.0008    0.0000 C   0  0
   -3.9013    3.7490    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 23 22  1  6
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 23 29  1  0
 29 30  1  0
 29 31  2  0
 11 32  1  0
 32  7  1  0
 32 33  1  0
 33 34  2  0
  8 35  1  0
 35  3  1  0
M  CHG  3   1   2  27  -1  30  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11033

> <plate>
PLATE 002

> <well>
A3

> <supplier_cmpd_name>
Folinic Acid Calcium Salt Pentahydrate

> <ctcr_id>
2448

> <supplier_cmpd_id>
T0148L

> <smiles>
[Ca++].NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW73,"calcium folinate",1492-18-8,1492188,AKOS015960758,T6431,T0148L,T0148,1500364,Prestw-738,"Calcium Levofolinate","Folinic Acid Calcium Salt Pentahydrate","Calcium folinate","LEUCOVORIN CALCIUM
","Folinic acid calcium salt"}

> <pdid>

> <targets>
{}

> <classes>
{antianemic,"antidote to folic acid antagonists"}

> <pubchem_cids>
{15150,78759347,443893}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  3
   -3.8983    0.7459    0.0000 O   0  0
   -2.6030    2.9977    0.0000 O   0  5
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  3  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
M  CHG  2  12   1  14  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11034

> <plate>
PLATE 002

> <well>
A4

> <supplier_cmpd_name>
Nitroxoline

> <ctcr_id>
10917

> <supplier_cmpd_id>
T0400

> <smiles>
Oc1c2ncccc2c(cc1)[N+](=O)[O-]

> <pd_targets>
{HTT,PTGS2,BRD4,RORC,DNAB,RECA,TGR,ALOX12,ALD,MAPT,ALDH1A1,COMT,METAP2,CASP6,CTSB,KDM4E,HSP90AA1,APE1,LMNA}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Epigenetic regulator","Transcription factor","Other cytosolic protein","Other nuclear protein",Oxidoreductase,Reader,"Nuclear receptor",Transferase,Protease,Eraser,Brom
odomain,"Nuclear hormone receptor subfamily 1","Metallo protease","Cysteine protease","Lysine demethylase","Nuclear hormone receptor subfamily 1 group F","Metallo protease MG clan","Cysteine protease 
CD clan","Cysteine protease CA clan","Jumonji domain-containing","Metallo protease MH clan","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M24A subfamily","Cysteine protease
 C14 family","Cysteine protease C1A family","Metallo protease M18 family"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Eicosanoid turnover","Chromatin modifying enzymes","Nuclear hormone receptors","Catecholamine turnover","Peptidases and proteinases","Heat shock proteins",C
yclooxygenase,"Enzymatic bromodomain-containing proteins","1F. Retinoic acid-related orphans",Lipoxygenases,"MG: Metallo (M) Peptidases","CD: Cysteine (C) Peptidases","CA: Cysteine (C) Peptidases","1.
14.11.- Histone demethylases","Bromodomain kinase (BRDK) family","M24: Methionyl aminopeptidase","C14: Caspase","C1: Papain"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Neuronal System","Signal Transduction","Immune System","Cell Cycle","RNA Polymerase II Transcription","Metabolism of lipids","Infectious disease"
,"Transmission across Chemical Synapses","Biological oxidations","Signaling by GPCR","Innate Immune System",Mitotic,"Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators 
(SPMs)","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Neurotransmitter clearance","GPCR downstream signalling","To
ll-like Receptor Cascades","Mitotic G2-G2/M phases","M Phase","Transcriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","Potential therapeutics for SARS","Transcriptional regulation by 
RUNX3","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Dopamine clearance from the synaptic cleft","G alpha (i) signalling events","Transcriptional Regulation by TP53","Tra
fficking and processing of endosomal TLR","G2/M Transition","Mitotic Metaphase and Anaphase","Regulation of MECP2 expression and activity","Biosynthesis of DPAn-3 SPMs","RUNX3 Regulates Immune Respons
e and Cell Migration","Post NMDA receptor activation events","Enzymatic degradation of dopamine by COMT","Visual phototransduction","TP53 Regulates Transcription of Cell Death Genes","Centrosome matur
ation","Mitotic Anaphase","Biosynthesis of DPAn-3-derived maresins","Activation of AMPK downstream of NMDARs","The phototransduction cascade","TP53 Regulates Transcription of Caspase Activators and Ca
spases","Loss of proteins required for interphase microtubule organization from the centrosome","Nuclear Envelope (NE) Reassembly",Inactivation,"recovery and regulation of the phototransduction cascad
e","Loss of Nlp from mitotic centrosomes","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{METAP2}

> <broad_moa>
{"cathepsin inhibitor"}

> <synonyms>
{NITROXOLINE,5-nitroquinolin-8-ol,5nitroquinolin8ol,4008-48-4,4008484,8-Hydroxy-5-nitroquinoline,8Hydroxy5nitroquinoline,5-Nitro-8-hydroxyquinoline,5Nitro8hydroxyquinoline,5-Nitro-8-quinolinol,5Nitro8
quinolinol,Nitroxolin,5-Nitrox,5Nitrox,Noxibiol,"8-Quinolinol, 5-nitro-","8Quinolinol, 5nitro",5-Nitroxine,5Nitroxine,5-Nitroks,5Nitroks,5-NOK,5NOK,Nibiol,Noxin,5-Nitro-8-oxyquinoline,5Nitro8oxyquinol
ine,Ni,T0400,Nitroxoline}

> <pdid>
PD000164

> <targets>
{Fe2+/Zn2+ ions,Antibiotic,Autophagy,Bacterial}

> <classes>
{Others,Anti-infection,Autophagy}

> <pubchem_cids>
{19910}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   -2.6003    1.4977    0.0000 N   0  3
   -2.6030    2.9977    0.0000 O   0  5
   -3.8983    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
  7 11  1  0
 11 12  1  0
 11 13  2  0
M  CHG  2  11   1  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11035

> <plate>
PLATE 002

> <well>
A5

> <supplier_cmpd_name>
Alkomide

> <ctcr_id>
1584

> <supplier_cmpd_id>
T0390

> <smiles>
NC(=O)c1ccc(cc1Cl)[N+]([O-])=O

> <pd_targets>
{KMT2A}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","RUNX1 regulates genes involved in megakaryocyte differentiat
ion and platelet function"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{aklomide,2-Chloro-4-nitrobenzamide,2Chloro4nitrobenzamide,3011-89-0,3011890,Aklomix,Alkomide,Clomide,"Benzamide, 2-chloro-4-nitro-","Benzamide, 2chloro4nitro","component of Aklomix","component of Nov
astat-W","component of NovastatW",UNII-B0E341RA20,UNIIB0E341RA20,"2-CHLORO-4-NITRO BENZAMIDE","2CHLORO4NITRO BENZAMIDE",MFCD00017119,"NSC 191832",B0E341RA20,NCGC00094557-0,NCGC000945570,T0390,1503014,
AKLOMIDE}

> <pdid>
PD001107

> <targets>
{}

> <classes>
{coccidiostat,antiprotozoal}

> <pubchem_cids>
{2075}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7537    0.0000 C   0  0
    3.9019    0.7463    0.0000 C   0  0
    5.2031    1.4926    0.0000 N   0  0
    6.4999    0.7389    0.0000 C   0  0
    6.4957   -0.7611    0.0000 C   0  0
    5.1945   -1.5074    0.0000 C   0  0
    3.8933   -3.7570    0.0000 P   0  0
    3.8912   -5.2570    0.0000 O   0  0
    5.1912   -4.5090    0.0000 O   0  0
    5.1937   -3.0093    0.0000 O   0  0
    1.2704   -2.2385    0.0000 P   0  0
   -0.0294   -2.9873    0.0000 O   0  0
   -0.0281   -1.4875    0.0000 O   0  0
    1.2713   -0.7385    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  2 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
  2 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11036

> <plate>
PLATE 002

> <well>
A6

> <supplier_cmpd_name>
Risedronic Acid

> <ctcr_id>
10918

> <supplier_cmpd_id>
T0379

> <smiles>
OC(Cc1cnccc1)(P(=O)(O)O)P(=O)(O)O

> <pd_targets>
{FDPS,FPPS}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Lanosterol biosynthesis pathway"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of steroids","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Activation of gene expression by SREBF (SREBP)"}

> <broad_targets>
{FDPS}

> <broad_moa>
{"osteoclast inhibitor"}

> <synonyms>
{"Risedronic acid",Risedronate,105462-24-6,105462246,Atelvia,"Risedronic acid monohydrate",Benet,NE-58095,NE58095,UNII-KM2Z91756Z,UNIIKM2Z91756Z,"(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic 
acid","(1hydroxy1phosphono2pyridin3ylethyl)phosphonic acid","Phosphonic acid, (1-hydroxy-2-(3-pyridinyl)ethylidene)bis-","Phosphonic acid, (1hydroxy2(3pyridinyl)ethylidene)bis",(1-,(1,T0379,"Risedroni
c Acid"}

> <pdid>
PD009664

> <targets>
{Hydroxylapatite,"Farnesyl pyrophosphate synthase"}

> <classes>
{Metabolism,Others}

> <pubchem_cids>
{5245}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    7.6894   -1.1361    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  3
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 O   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 10 21  1  0
 21 22  2  0
 22  7  1  0
M  CHG  2   1  -1  15   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11037

> <plate>
PLATE 002

> <well>
A7

> <supplier_cmpd_name>
Pramoxine hydrochloride

> <ctcr_id>
2926

> <supplier_cmpd_id>
T0460

> <smiles>
[Cl-].CCCCOc1ccc(OCCC[NH+]2CCOCC2)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Pramoxine hydrochloride",637-58-1,637581,"Pramoxine HCl","Pramocaine hydrochloride","Prax Lotion","Pramocaine (hydrochloride)","Morpholine, 4-(3-(4-butoxyphenoxy)propyl)-, hydrochloride","Morpholine
, 4(3(4butoxyphenoxy)propyl), hydrochloride",UNII-88AYB867L5,UNII88AYB867L5,4-(3-(4-butoxyphenoxy)propyl)mor,4(3(4butoxyphenoxy)propyl)mor,1501139,Prestw-716,"PRAMOXINE HYDROCHLORIDE"}

> <pdid>

> <targets>
{Others}

> <classes>
{anesthetic (topical),Others}

> <pubchem_cids>
{73957,517298,657208,57425260}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  3
    0.0000   -3.0000    0.0000 O   0  5
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  8  9  1  0
  4 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
M  CHG  2   8   1   9  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11038

> <plate>
PLATE 002

> <well>
A8

> <supplier_cmpd_name>
Minoxidil

> <ctcr_id>
2865

> <supplier_cmpd_id>
T0451

> <smiles>
Nc1cc(nc(N)[n+]1[O-])N2CCCCC2

> <pd_targets>
{TSHR,CYP1A2,LEF,FFP,KCNJ8,KCNJ11,ABCC9,KCNJ1,PTGS1,ADRA1A}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Ion channel","Family A G protein-coupled receptor","Cytochrome P450",Protease,Transferase,"Voltage-gated ion channel",Oxidoreductase,"Peptide receptor (family A GPCR)","Cy
tochrome P450 family 1","Metallo protease","Potassium channels","Small molecule receptor (family A GPCR)","Glycohormone receptor","Cytochrome P450 family 1A","Metallo protease MAE clan","Inwardly rect
ifying potassium channel","Monoamine receptor","Cytochrome P450 1A1","Metallo protease M34 family","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","Cytochrome P450","Voltage-gated ion channels","Eicosanoid turnover","Glycoprotein hormone receptors","CYP1 family","Potassium channels"
,Cyclooxygenase,Adrenoceptors,"Inwardly rectifying potassium channels"}

> <pathway_reactome>
{Disease,Metabolism,"Neuronal System","Signal Transduction","Infectious disease","Biological oxidations","Potassium Channels","Disorders of transmembrane transporters","Metabolism of lipids","Signalin
g by GPCR","Leishmania infection","Phase I - Functionalization of compounds","Uptake and actions of bacterial toxins","Inwardly rectifying K+ channels","ABC transporter disorders","Fatty acid metaboli
sm","GPCR ligand binding","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Uptake and function of anthrax toxins","ATP sensitive Potassium channels","Defective
 ABCC8 can cause hypo- and hyper-glycemias","Potassium transport channels","Arachidonic acid metabolism","Class A/1 (Rhodopsin-like receptors)","Anti-inflammatory response favouring Leishmania parasit
e infection",Xenobiotics,"Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Amine ligand-binding receptors","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N-h
ydroxylated or N-dealkylated by CYP1A2",Adrenoceptors}

> <broad_targets>
{ABCC9,KCNJ1,KCNJ10,KCNJ11,KCNJ8,PTGS1}

> <broad_moa>
{"KATP activator","Kir6 channel (KATP) activator",vasodilator}

> <synonyms>
{minoxidil,38304-91-5,Rogaine,Loniten,Regaine,Minoximen,Theroxidil,Lonolox,U-10858,"6-(1-Piperidinyl)-2,4-pyrimidinediamine 3-oxide","2,4-Pyrimidinediamine, 6-(1-piperidinyl)-, 3-oxide",C9H15N5O,3-hyd
roxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine,CHEBI:6942,"6-(piperidin-1-yl)pyrimidine-2,4-diamine 3-oxide",Tricoxidil,"6-Amino-1,2-dihydro-1-hydroxy-2-imino-4-piperidinopyrimidine",Alopexil,Alostil,
MFCD00063409,Minodyl,MLS000028566,Normoxidil,CHEMBL1372483,"6-(1-piperidinyl)-2,4-pyrimidinediamine-3-oxide","Minossidile (Italian)","Minoxidilum (INN-Latin)",NCGC00015673-08,Minoxidilum,SMR000058963,
CAS-38304-91-5,Apo-Gain,DSSTox_CID_20685,DSSTox_RID_79541,"6-Piperidin-1-ylpyrimidine-2,4-diamine 3-oxide",DSSTox_GSID_40685,RiUP,"2,6-diamino-4-(piperidin-1-yl)pyrimidin-1-ium-1-olate",Neoxidil,"Avac
or and Mintop","2,6-diamino-4-piperidylpyrimidin-1-ol",SMR000326812,"Loniten (TN)","Rogaine (TN)","Riup (TN)","2,4-Diamino-6-piperidinopyrimidine 3-oxide",SR-01000075331,SR-05000001479,"3-oxido-6-pipe
ridin-1-ylpyrimidin-3-ium-2,4-diamine","U-10,858",Kopdil,"Regaine For Men","Minoxidil,(S)","Regaine For Women",UNII-5965120SH1,Prestwick_521,3-hydroxy-2-imino-6-(1-piperidyl)pyrimidin-4-amine,TM-160,"
Men''''s Rogaine","Women''''s rogaine",6-amino-2-imino-4-(piperidin-1-yl)pyrimidin-1(2H)-ol,"Rogaine Extra Strength",pyrimidin-1(2H)-ol,Spectrum_000969,Tocris-0583,"Minoxidil Extra Strength",regid8555
72,Opera_ID_1150,Prestwick0_000020,Prestwick1_000020,Prestwick2_000020,Prestwick3_000020,Spectrum2_001053,Spectrum3_000509,Spectrum4_000063,Spectrum5_001299,Lopac-M-4145,M1389,CHEMBL802,"M 4145","Mino
xidil (JAN/USP/INN)",CBiol_001798,Lopac0_000786,SCHEMBL29698,BSPBio_000059,BSPBio_001385,BSPBio_002037,KBioGR_000105,KBioGR_000585,KBioSS_000105,KBioSS_001449,MLS000859953,MLS001077294,DivK1c_000160,S
CHEMBL232565,SPECTRUM1500415,SPBio_001006,SPBio_001980,BPBio1_000065,CHEMBL609587,GTPL4254,"Minoxidil, >=99 (TLC)",SGCUT00112,ZINC1735,DTXSID9040685,BCBcMAP01_000193,BDBM81463,CHEBI:92128,HMS500H22,KB
io1_000160,KBio2_000105,KBio2_001449,KBio2_002673,KBio2_004017,KBio2_005241,KBio2_006585,KBio3_000209,KBio3_000210,KBio3_001537,NINDS_000160,BCPP000162,Bio1_000084,Bio1_000573,Bio1_001062,Bio2_000105,
Bio2_000585,HMS1361F07,HMS1568C21,HMS1791F07,HMS1920P03,HMS1989F07,HMS2089L08,HMS2091F20,HMS2095C21,HMS2233E04,HMS2235N21,HMS3259P21,HMS3262M14,HMS3266O06,HMS3371E15,HMS3372M19,HMS3402F07,HMS3411G16,H
MS3675G16,HMS3712C21,Pharmakon1600-01500415,ACT04612,BCP01409,CAS_4201,HY-B0112,NSC_4201,to_000070,ZINC6507066,Tox21_110193,Tox21_500786,3853AH,BDBM50237593,CCG-40112,NSC757106,s1383,SBB056986,STL4532
11,AKOS015920078,AKOS016339636,Tox21_110193_1,6-amino-2-imino-4-(piperidin-1-yl),AC-5271,BCP9000929,CCG-220020,CS-1867,DB00350,GS-3605,KS-5164,LP00786,NC00686,NSC-757106,SDCCGSBI-0050764.P005,IDI1_000
160,IDI1_033855,SMP1_000192,NCGC00015673-01,NCGC00015673-02,NCGC00015673-03,NCGC00015673-04,NCGC00015673-05,NCGC00015673-06,NCGC00015673-07,NCGC00015673-09,NCGC00015673-10,NCGC00015673-11,NCGC00015673
-13,NCGC00015673-20,NCGC00018278-01,NCGC00018278-02,NCGC00018278-03,NCGC00018278-04,NCGC00024666-01,NCGC00024666-02,NCGC00024666-03,NCGC00024666-04,NCGC00024666-05,NCGC00024666-06,NCGC00024666-07,NCGC
00024666-08,NCGC00179672-01,NCGC00261471-01,H766,SBI-0050764.P004,AB0013244,AB0093459,"2,6-Diamino-4-piperidinopyrimidine 1-Oxide",5965120SH1,AB00513797,EU-0100786,FT-0620793,ST50993884,D00418,J10235,
M-7481,U10858,"6-(1-Piperidinyl)-2,4-pyrimidinediamine3-oxide",AB00052047-08,AB00052047_09,AB00052047_10,AB00513797-02,NC1=CC(=N/C(/N1O)=N/(H))N1CCCCC1,102666-EP2272841A1,102666-EP2281816A1,102666-EP2
301936A1,304M915,A824098,Q424165,"2,4-diamino-6-(1-piperidinyl)-pyrimidine-3-oxide",Q-201408,SR-01000075331-1,SR-01000075331-3,SR-01000075331-5,SR-05000001479-1,SR-05000001479-2,3-hydroxy-2-imino-6-(1
-piperidinyl)-4-pyrimidinamine,BRD-K06902185-001-05-2,BRD-K06902185-001-10-2,BRD-K14888893-001-02-3,"Minoxidil, British Pharmacopoeia (BP) Reference Standard",Z1541638524,"Minoxidil, European Pharmaco
poeia (EP) Reference Standard",2-azanylidene-3-oxidanyl-6-piperidin-1-yl-pyrimidin-4-amine,"6-amino-1,2-dihydro-1-hydroxy-2-imino-4-piperidino-pyrimidine","Minoxidil, United States Pharmacopeia (USP) 
Reference Standard","6-amino-2-imino-4-(piperidin-1-yl)-1,2-dihydropyrimidin-1-ol",1500415,MINOXIDIL}

> <pdid>
PD002726

> <targets>
{}

> <classes>
{antihypertensive,"antialopecia agent"}

> <pubchem_cids>
{4201}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   12.8946   -3.3802    0.0000 N   0  0
   11.5955   -2.6303    0.0000 C   0  0
   11.5955   -1.1302    0.0000 C   0  0
   10.2965   -0.3803    0.0000 C   0  0
    8.9975   -1.1303    0.0000 C   0  0
    7.6992   -0.3772    0.0000 C   0  0
    6.3989   -1.1249    0.0000 O   0  0
    7.7014    1.1228    0.0000 O   0  0
    8.9975   -2.6303    0.0000 C   0  0
    7.6984   -3.3803    0.0000 O   0  0
   10.2965   -3.3803    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 15 19  1  0
 19 20  1  0
 19 21  2  0
 21 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11039

> <plate>
PLATE 002

> <well>
A9

> <supplier_cmpd_name>
Pasiniazid

> <ctcr_id>
6510

> <supplier_cmpd_id>
T0441

> <smiles>
NNC(=O)c1ccncc1.Nc2ccc(C(O)=O)c(O)c2

> <pd_targets>
{RORC,ALDH1A1,MAPT,KDM4E}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other cytosolic protein","Epigenetic regulator","Nuclear receptor",Oxidoreductase,Eraser,"Nuclear hormone receptor subfamily 1","Lysine demethylase","Nuclear hormone re
ceptor subfamily 1 group F","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Chromatin modifying enzymes","1F. Retinoic acid-related orphans","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Neuronal System","RNA Polymerase II Transcription","Biological oxidations","Transmission across Chemical Synapses","Generic Transcription Pathway","Phase
 I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Transcriptional regulation by RUNX3","Ethanol oxidation","Activation of NMDA receptors and posts
ynaptic events","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Pasiniazid,2066-89-9,2066899,Pasiniazide,"Pasiniazid (INN:DCF)",UNII-83J17CN0MN,UNII83J17CN0MN,"Isoniazid 4-aminosalicylate","Isoniazid 4aminosalicylate","Aminosalicylic acid mixture with Isoniazid",
83J17CN0MN,"isonicotinohydrazide 4-amino-2-hydroxybenzoate","isonicotinohydrazide 4amino2hydroxybenzoate","Isonicotinic acid hydrazide compound",T0441,S4404}

> <pdid>
PD000992

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{16367}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 14  0  0  0  0            999 V2000
    8.9990   -0.7508    0.0000 Na  0  3
    5.1983   -3.0012    0.0000 C   0  0
    5.1988   -1.5012    0.0000 C   0  0
    6.4983   -0.7520    0.0000 O   0  0
    3.8990   -0.7508    0.0000 N   0  5
    2.5988   -1.5004    0.0000 S   0  0
    3.8975   -2.2510    0.0000 O   0  0
    2.5983   -3.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
M  CHG  2   1   1   5  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11040

> <plate>
PLATE 002

> <well>
A10

> <supplier_cmpd_name>
Sulfacetamide sodium

> <ctcr_id>
5581

> <supplier_cmpd_id>
T0087L

> <smiles>
[Na+].CC(=O)[N-][S](=O)(=O)c1ccc(N)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sulfacetamide sodium",127-56-0,127560,"Sodium sulfacetamide","Sulfacetamide (Sodium)","Sulfacetamide sodium anhydrous","Sodium sulamyd","Sodium sulfanilylacetamide","Isopto cetamide","Sodium N-sulfa
nilylacetamide","Sodium Nsulfanilylacetamide","Sulphacetamide sodium",T0087,T0087L,S4081,"Sulfacetamide sodium salt hydrate","Sulfacetamide Sodium"}

> <pdid>

> <targets>
{Autophagy}

> <classes>
{Ubiquitin}

> <pubchem_cids>
{24883923,4022878,24883924,74344375}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  6
  5  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  6
  9 11  1  0
 11  2  1  0
 11 12  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11041

> <plate>
PLATE 002

> <well>
A11

> <supplier_cmpd_name>
Inositol

> <ctcr_id>
1106

> <supplier_cmpd_id>
T0421

> <smiles>
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O

> <pd_targets>
{LMNA,APP,CDIPT}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor",Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation","Immune System",Metabolism,"Inn
ate Immune System","Metabolism of lipids","Toll-like Receptor Cascades","Phospholipid metabolism","Toll Like Receptor 5 (TLR5) Cascade","Glycerophospholipid biosynthesis","MyD88 cascade initiated on p
lasma membrane","Synthesis of PI","TAK1 activates NFkB by phosphorylation and activation of IKKs complex"}

> <broad_targets>
{CDIPT}

> <broad_moa>
{"insulin sensitizer"}

> <synonyms>
{inositol,myo-inositol,myoinositol,Scyllo-inositol,Scylloinositol,Muco-Inositol,MucoInositol,epi-Inositol,epiInositol,Allo-inositol,Alloinositol,i-Inositol,iInositol,meso-Inositol,mesoInositol,87-89-8
,87898,Neo-inositol,Neoinositol,1D-Chiro-inositol,1DChiroinositol,1L-Chiro-inositol,1LChiroinositol,cis-Inositol,cisInositol,Myoinositol,D-chiro-Inositol,DchiroInositol,643-12-9,643129,488-59-5,488595
,Scyllitol,D-(+)-chiro-Ino,D(+)chiroIno,T0421,1500352,Inositol,INOSITOL}

> <pdid>
PD001929

> <targets>
{}

> <classes>
{"growth factor"}

> <pubchem_cids>
{892}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 31  0  0  0  0            999 V2000
    8.9990    0.3638    0.0000 Cl  0  5
    6.4983   -0.7520    0.0000 C   0  0
    5.1988   -1.5012    0.0000 C   0  0
    5.1983   -3.0012    0.0000 C   0  0
    6.4975   -2.2518    0.0000 C   0  0
    3.8990   -0.7508    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 N   0  3
  -10.4029    2.9841    0.0000 C   0  0
   -9.1027    2.2366    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -14.2993    0.7296    0.0000 C   0  0
  -15.5984    1.4796    0.0000 C   0  0
  -15.5984    2.9796    0.0000 C   0  0
  -14.2994    3.7296    0.0000 C   0  0
  -13.0004    2.9796    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 13 30  1  0
 30 31  2  0
 31 10  1  0
M  CHG  2   1  -1  20   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11042

> <plate>
PLATE 002

> <well>
B2

> <supplier_cmpd_name>
Benzethonium chloride

> <ctcr_id>
5464

> <supplier_cmpd_id>
T0401

> <smiles>
[Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1

> <pd_targets>
{RORC,CASP9,LMNA,FTL,HIF1A,CYP2D6,APAF1,KISS1R,TSHR,FFP,USP2,ALDH1A1,GROES,GROL,HSPD1,HSPE1,RAD52,KMT2A,MEN1,CYP3A4,MAPT,HTT,TP53,LEF,ADRA2C,CHRM1,SLC6A3,CHRM3,KCNH2,HTR2A,HTR2C,SLC6A4,CHRM2,CHRM4,FYN
,ADRA2B,SLC6A2,TACR2,ERBB2,ADRA2A,CHRM5,ACHE}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other nuclear protein","Unclassified protein","Membrane receptor","Other cytosolic protein","Epigenetic regulator",Transporter,"Ion channel","Nuclear receptor",Protease
,"Cytochrome P450","Family A G protein-coupled receptor",Transferase,Oxidoreductase,Reader,"Electrochemical transporter","Voltage-gated ion channel",Kinase,Hydrolase,"Nuclear hormone receptor subfamil
y 1","Cysteine protease","Cytochrome P450 family 2","Peptide receptor (family A GPCR)",Bromodomain,"Cytochrome P450 family 3","Metallo protease","Small molecule receptor (family A GPCR)","SLC superfam
ily of solute carriers","Potassium channels","Protein Kinase","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CD clan","Cytochrome P450 family 2D","Short peptide receptor (family A G
PCR)","Glycohormone receptor","Cysteine protease CA clan","Cytochrome P450 family 3A","Metallo protease MAE clan","Monoamine receptor","SLC06 neurotransmitter transporter family","Voltage-gated potass
ium channel","TK protein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C14 family","Cytochrome P450 2D6","RF amide receptor","Cysteine protease C19 family","
Cytochrome P450 3A4","Metallo protease M34 family","Adrenergic receptor","Acetylcholine receptor","Serotonin receptor","Tyrosine protein kinase Src family","Neurokinin receptor","Tyrosine protein kina
se EGFR family","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","Nuclear hormone receptors","Peptidases and proteinases","Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Voltage-ga
ted ion channels","Catalytic receptors","Acetylcholine turnover","1F. Retinoic acid-related orphans","CD: Cysteine (C) Peptidases","CYP2 family: drug metabolising subset","Kisspeptin receptor","Glycop
rotein hormone receptors","CA: Cysteine (C) Peptidases","CYP3 family",Adrenoceptors,"Acetylcholine receptors (muscarinic)","SLC6 neurotransmitter transporter family","Potassium channels","5-Hydroxytry
ptamine receptors","Receptor kinases","Tachykinin receptors","C14: Caspase","C19: Ubiquitin-specific protease","Monoamine transporter subfamily","Voltage-gated potassium channels","TK: Tyrosine kinase
","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Programmed Cell Death","Cell Cycle","Vesicle-mediated transport","Cellular responses to external stimuli",Metabolism,"Signal Transduction",Disease,"DNA Repair","Neu
ronal System","Muscle contraction","Developmental Biology","RNA Polymerase II Transcription",Apoptosis,Mitotic,"Membrane Trafficking","Cellular responses to stress","Biological oxidations","Signaling 
by GPCR","Infectious disease","DNA Double-Strand Break Repair","Metabolism of lipids","Transmission across Chemical Synapses","Cell Cycle Checkpoints","Disorders of transmembrane transporters","Cardia
c conduction","Nervous system development","Generic Transcription Pathway","Intrinsic Pathway for Apoptosis","M Phase","trans-Golgi Network Vesicle Budding","Cellular response to hypoxia","Phase I - F
unctionalization of compounds","GPCR ligand binding","Leishmania infection","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and posts
ynaptic signal transmission","G1/S DNA Damage Checkpoints","Uptake and actions of bacterial toxins","SLC transporter disorders","Phase 3 - rapid repolarisation","Neurotransmitter clearance","HIV Infec
tion","Axon guidance","Phospholipid metabolism","Transcriptional regulation by RUNX3","Apoptotic factor-mediated response","Mitotic Metaphase and Anaphase","Golgi Associated Vesicle Biogenesis","Oxyge
n-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Tr
anscriptional Regulation by TP53","Ethanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and
 postsynaptic events","Transcriptional Regulation by MECP2","p53-Dependent G1/S DNA damage checkpoint","Uptake and function of anthrax toxins","Defective SLC6A3 causes Parkinsonism-dystonia infantile 
(PKDYS)","Serotonin clearance from the synaptic cleft","Host Interactions of HIV factors","Defective SLC6A2 causes orthostatic intolerance (OI)","Semaphorin interactions","Glycerophospholipid biosynth
esis","RUNX3 Regulates Immune Response and Cell Migration","Cytochrome c-mediated apoptotic response","Mitotic Anaphase",Xenobiotics,"Peptide ligand-binding receptors","Anti-inflammatory response favo
uring Leishmania parasite infection","Regulation of TP53 Activity","HDR through Single Strand Annealing (SSA)","Biosynthesis of maresins","Post NMDA receptor activation events","Regulation of MECP2 ex
pression and activity","p53-Dependent G1 DNA Damage Response","Amine ligand-binding receptors","The role of Nef in HIV-1 replication and disease pathogenesis","Sema4D in semaphorin signaling","Synthes
is of PC","Formation of apoptosome","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Bio
synthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Stabilization of p53",Adrenoceptors,"Muscarinic acetylcholine receptors","Serotonin receptors","Nef and signal transduction",
"Tachykinin receptors bind tachykinins","Sema4D induced cell migration and growth-cone collapse","Regulation of the apoptosome activity","Initiation of Nuclear Envelope (NE) Reformation","Regulation o
f TP53 Degradation","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{SCN10A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{"benzethonium chloride",121-54-0,121540,Phemeride,Quatrachlor,Hyamine,Benzethoniumchloride,"Phemerol Chloride","Hyamine 1622",Phemithyn,Disilyn,Kylacol,Diapp,"Polymine D","Benzetonium chloride","Anti
-germ 77","Antigerm 77","Benzethonii chloridum",Antis,T0401,1500138,Prestw-708,"Benzethonium chloride","BENZETHONIUM CHLORIDE"}

> <pdid>
PD013208

> <targets>
{nAChR}

> <classes>
{antiinfective (topical),Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{8478}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  1  0            999 V2000
    6.0333   -7.4056    0.0000 C   0  0
    6.9148   -6.1919    0.0000 C   0  0
    8.4065   -6.3489    0.0000 O   0  0
    6.3037   -4.8211    0.0000 N   0  0
    4.8111   -4.6641    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0  1  0  0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 O   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  6  1  0
  8 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 15 22  1  0
 22 23  1  0
 22 24  2  0
 24 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11043

> <plate>
PLATE 002

> <well>
B3

> <supplier_cmpd_name>
Linezolid

> <ctcr_id>
3583

> <supplier_cmpd_id>
T0391

> <smiles>
CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2

> <pd_targets>
{SKA,MAOA,LMNA,SDHA,MAOB,PTGS1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Kinase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Catecholamine turnover","Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Biological oxidations",Mitotic,"The citric acid (TCA) cycle and respiratory electron transport","Metabolism of lipids","Phase I - Functionalization of compounds","M Phase","P
yruvate metabolism and Citric Acid (TCA) cycle","Fatty acid metabolism","Amine Oxidase reactions","Mitotic Metaphase and Anaphase","Citric acid cycle (TCA cycle)","Arachidonic acid metabolism","Biogen
ic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Mitotic Anaphase","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Nuclear Envelope (NE) Reassembly","Initiation of Nuclea
r Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{linezolid,165800-03-3,165800033,Zyvox,Zyvoxid,PNU-100766,PNU100766,U-100766,U100766,Zyvoxam,"PNU 100766","U 100766",C16H20FN3O4,UNII-ISQ9I6J12J,UNIIISQ9I6J12J,CHEMBL126,ISQ9I6J12J,CHEBI:63607,"Linezo
lid, 98",MFCD00937825,"U-100,766","U100,766",ZLD,Zivoxid,Zyvoxa,SMR000466335,"Zyvox (TN)","HSDB 7478",T0391,SAM001246624,Prestw-1429,Linezolid,CPD000466335}

> <pdid>
PD001291

> <targets>
{Antibiotic,Bacterial}

> <classes>
{Anti-infection}

> <pubchem_cids>
{441401}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    5.1983   -3.0012    0.0000 C   0  0
    5.1988   -1.5012    0.0000 C   0  0
    4.3327   -2.0011    0.0000 O   0  0
    3.8990   -0.7508    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    2.5983   -3.0004    0.0000 O   0  0
    3.4646   -2.0008    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4990   -0.7516    0.0000 C   0  0
    6.4995    0.7484    0.0000 O   0  0
    7.7988   -1.5020    0.0000 N   0  0
    9.0990   -0.7525    0.0000 C   0  0
   10.3991   -1.5006    0.0000 C   0  0
   11.6971   -0.7487    0.0000 C   0  0
   11.6950    0.7512    0.0000 C   0  0
   12.9937    1.5035    0.0000 C   0  0
   14.2917    2.2553    0.0000 N   0  0
   10.3949    1.4994    0.0000 C   0  0
    9.0969    0.7476    0.0000 C   0  0
   10.3928    3.0003    0.0000 C   0  0
   11.6903    3.7529    0.0000 F   0  0
    9.0925    3.7480    0.0000 F   0  0
   10.3900    4.5002    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  2 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  3  0
 21 24  1  0
 24 25  2  0
 25 18  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11044

> <plate>
PLATE 002

> <well>
B4

> <supplier_cmpd_name>
Bicalutamide

> <ctcr_id>
768

> <supplier_cmpd_id>
T0380

> <smiles>
CC(O)(C[S](=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F

> <pd_targets>
{ABCB11,RORC,AR,PGR,AMPC,CYP2C19}

> <pathway_gtopdb>
{Transporter,"Transcription factor",Enzyme,"Primary active transporter","Nuclear receptor",Hydrolase,"ATP-binding cassette","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3
","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfa
mily 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 3","Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 2C","Cytochrome P450 2C19"}

> <pathway_chembl>
{Transporters,Receptors,"ATP-binding cassette transporter family","Nuclear hormone receptors","ABCB subfamily","1F. Retinoic acid-related orphans","Steroid hormone receptors","3C. 3-Ketosteroid recept
ors",Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of proteins","Metabolism of lipids","RNA Polymerase II Transcription","Post-translational protein modification","Metabolism of steroids","Gene
ric Transcription Pathway",SUMOylation,"Bile acid and bile salt metabolism","Transcriptional regulation by RUNX3","Transcriptional regulation by RUNX2","SUMO E3 ligases SUMOylate target proteins","Syn
thesis of bile acids and bile salts","RUNX3 Regulates Immune Response and Cell Migration","RUNX2 regulates bone development","SUMOylation of intracellular receptors","Synthesis of bile acids and bile 
salts via 7alpha-hydroxycholesterol","RUNX2 regulates osteoblast differentiation","Biological oxidations","Phase I - Functionalization of compounds","Cytochrome P450 - arranged by substrate type",Xeno
biotics,"CYP2E1 reactions"}

> <broad_targets>
{AR}

> <broad_moa>
{"androgen receptor antagonist"}

> <synonyms>
{RESTW123,bicalutamide,90357-06-5,90357065,Casodex,Cosudex,"Bicalutamide (CDX)",Calutide,"ICI 176334",ICI-176334,ICI176334,"Bicalutamide (Casodex)",CHEMBL409,"ICI 176,334",MFCD00869971,Raffolutil,Kalu
mid,(R)-(-)Bicalutamide,(R)()Bicalutamide,SMR000466329,"Casodex (TN)",SR-01000759410,SR01000759410,BRN,T0380,SAM001246612,Prestw-1239,Bicalutamide,CPD000466329}

> <pdid>
PD000730

> <targets>
{Androgen Receptor,Autophagy}

> <classes>
{Autophagy,Others}

> <pubchem_cids>
{2375}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -6.4842    5.2598    0.0000 C   0  0
   -6.4790    6.7598    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 O   0  0
   -2.6109   -7.4988    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 18 20  1  0
 20 21  3  0
 12 22  2  0
 22  8  1  0
 22 23  1  0
 23 24  2  0
 24  6  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11045

> <plate>
PLATE 002

> <well>
B5

> <supplier_cmpd_name>
Erlotinib

> <ctcr_id>
2421

> <supplier_cmpd_id>
T0373

> <smiles>
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

> <pd_targets>
{PIP4K2C,ERBB2,BRAF,EGFR,JAK2,FLT3,FLT4,FRK,CSNK1D,TUBA1A,MET,AURKC,FLT1,RPS6KA4,ABL1,ABL2,BLK,STK10,GAK,ALK,DMPK,COQ8A,CDC42BPG,PDGFRB,MAP2K5,EPHA7,KIT,EIF2AK4,RET,ULK3,MAP3K2,LTK,TYRO3,JAK3,SYK,EPHA
3,TIE1,MAPK4,PDGFRA,CIT,FGR,LYN,TNNI3K,LCK,MYLK2,RIPK2,BMP2K,COQ8B,ERBB4,KDR,EPHA6,PKN2,SRC,AAK1,MAP3K3,SBK1,YES1,CSNK1E,CAMK2D,ERBB3,EPHB6,STK17B,CSK,EPHB4,MKNK2,MAPK9,SRPK3,MAP3K19,SLK,AURKA,AURKB,A
XL,HIPK4,GRK4,DDR1,STK17A,LRRK2,CYP3A4,MKNK1,MAPK10,STK36,EPHA8,TNK1,HCK,PLK4,MERTK,TNIK,TXK,TTK,LMNA,MINK1,SLCO2B1,DAPK3,TYK2,TBK1,DYRK2,PTK2,ABCG2,EIF2AK2,SIK2,RIPK4,EPHB1,EPHA5,ABCC2,ABCB1,RAF1,FGF
R2,PRKD2,SLC22A1,SLCO1B3,SLCO1B1,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Structural protein","Unclassified protein","Other nuclear protein",Transporter,"Transcription factor",Transferase,Kinase,"Cytochrome P450","Electrochemical transporter","Primary active transp
orter","Nuclear receptor","Protein Kinase","Cytochrome P450 family 3","SLC superfamily of solute carriers","ATP-binding cassette","Nuclear hormone receptor subfamily 1","TK protein kinase group","TKL 
protein kinase group","CK1 protein kinase group","Other protein kinase group","AGC protein kinase group","STE protein kinase group","Atypical protein kinase group","CMGC protein kinase group","CAMK pr
otein kinase group","Cytochrome P450 family 3A","SLC21/SLCO family of organic anion transporting polypeptides","ABCG subfamily","ABCC subfamily","ABCB subfamily","SLC22 family of organic cation and an
ion transporters","Nuclear hormone receptor subfamily 1 group I","Tyrosine protein kinase EGFR family","TKL protein kinase RAF family","Tyrosine protein kinase JakA family","Tyrosine protein kinase PD
GFR family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Src family","CK1 protein kinase CK1 family","Tyrosine protein kinase Met family","Other protein kinase AUR family","AGC prot
ein kinase RSK family","Tyrosine protein kinase Abl family","STE protein kinase STE20 family","Other protein kinase NAK family","TKL protein kinase STKR family","AGC protein kinase DMPK family","STE p
rotein kinase STE7 family","Tyrosine protein kinase Eph family","Other protein kinase PEK family","Tyrosine protein kinase Ret family","Other protein kinase ULK family","STE protein kinase STE11 famil
y","Tyrosine protein kinase Alk family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Tie family","CMGC protein kinase MAPK family","TKL protein ki
nase MLK family","CAMK protein kinase MLCK family","TKL protein kinase RIPK family","Atypical protein kinase ABC1 family","AGC protein kinase PKN family","Other protein kinase NKF1 family","CAMK prote
in kinase CAMK2 family","CAMK protein kinase DAPK family","Tyrosine protein kinase Csk family","CAMK protein kinase MAPKAPK family","CMGC protein kinase SRPK family","CMGC protein kinase DYRK family",
"AGC protein kinase GRK family","Tyrosine protein kinase DDR family","TKL protein kinase LRRK family","Cytochrome P450 3A4","Tyrosine protein kinase Ack family","Other protein kinase PLK family","Tyro
sine protein kinase Tec family","Other protein kinase TTK family","Other protein kinase IKK family","Tyrosine protein kinase Fak family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase FGF
R family","CAMK protein kinase PKD family","Nuclear hormone receptor subfamily 1 group I member 2","AGC protein kinase MSK subfamily","STE protein kinase SLK subfamily","TKL protein kinase STKR Type 1
 subfamily","AGC protein kinase GEK subfamily","Other protein kinase GCN2 subfamily","STE protein kinase MEKK2","CMGC protein kinase ERK3","AGC protein kinase CRIK subfamily","TKL protein kinase HH498
 subfamily","Atypical protein kinase ABC1-A subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase JNK subfamily","CMGC protein kinase HIPK subfamily","AGC protein kinase GRK subfamily","
STE protein kinase MSN subfamily","CMGC protein kinase Dyrk2 subfamily","Other protein kinase PKR","CAMK protein kinase QIK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Kinases (EC 2.7.x.x)","Catalytic receptors",Tubulins,"Cytochrome P450","SLC superfamily of solute carriers","ATP-binding cassette transporter f
amily","Nuclear hormone receptors","Lipid modifying kinases","Receptor kinases","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile
 20 kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","CYP3 family","SLCO family of organic anion transporting polypeptides","ABCG 
subfamily","ABCC subfamily","ABCB subfamily","SLC22 family of organic cation and anion transporters","1I. Vitamin D receptor-like receptors","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-
kinase family)","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Casein kinase 1 (CK1) family","Other protein kinases","RSK family","STE20 family","DMPK family","ABC1 family","STE7 family","STE11 fa
mily","Mitogen-activated protein kinases (MAP kinases)","Myosin Light Chain Kinase (MLCK) family","Protein kinase N (PKN) family","CAMK2 family","Death-associated kinase (DAPK) family","MAPK-Activated
 Protein Kinase (MAPKAPK) family","SRPK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","G protein-coupled receptor kinases (GRKs)","CAMK-like (CAMKL) family","P
rotein kinase D (PKD) family","Organic cation transporters (OCT)","Receptor tyrosine kinases (RTKs)","RAF family","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family","MSK subfamily","
SLK subfamily","Numb-associated kinase (NAK) family","GEK subfamily","ABC1-B subfamily","PEK family","Unc-51-like kinase (ULK) family","ERK subfamily","Other DMPK family kinases","Mixed Lineage Kinase
 (MLK) family","Receptor interacting protein kinase (RIPK) family","NAK family","NKF1 family","MKN subfamily","JNK subfamily","STE20 subfamily","HIPK subfamily","GRK4 subfamily","Leucine-rich repeat k
inase (LRRK) family","Polo-like kinase (PLK) family","MSN subfamily","TTK family","IKK family","Dyrk2 subfamily","QIK subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Janus ki
nase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Src family","Type X RTKs: HGF (hepatocyte growth f
actor) receptor family","Abl family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIII RTKs: Ephrin receptor family","GCN2 subfamily","Type XIV RTKs: RET","Type XI RTKs: TAM 
(TYRO3-","AXL- and MER-TK) receptor family","Syk family","Type XII RTKs: TIE family of angiopoietin receptors","HH498 subfamily","Csk family","Type XVI RTKs: DDR (collagen receptor) family","Ack famil
y","Tec family","Fak family","Other PEK family kinases","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Developmental Biology","Signal Transduction","Cell Cycle",Disease,"Immune System","Vesicle-mediated transport","Muscle contraction","Cellular responses to external 
stimuli","Neuronal System","Extracellular matrix organization",Metabolism,Hemostasis,"Transport of small molecules","Programmed Cell Death","Metabolism of proteins","RNA Polymerase II Transcription","
Nervous system development","Signaling by Receptor Tyrosine Kinases","Signaling by GPCR",Mitotic,"Intracellular signaling by second messengers","Infectious disease","Innate Immune System","Membrane Tr
afficking","Cardiac conduction","Diseases of signal transduction by growth factor receptors and second messengers","Cellular responses to stress","Signaling by Hedgehog","Cytokine Signaling in Immune 
system","MAPK family signaling cascades","Signaling by Rho GTPases","Transmission across Chemical Synapses","Non-integrin membrane-ECM interactions","Signaling by Non-Receptor Tyrosine Kinases","Metab
olism of lipids","Cell surface interactions at the vascular wall","SLC-mediated transmembrane transport",Apoptosis,"Abacavir transport and metabolism","Disorders of transmembrane transporters","Post-t
ranslational protein modification","Generic Transcription Pathway","Axon guidance","Signaling by NTRKs","GPCR downstream signalling","Mitotic G1 phase and G1/S transition","Signaling by Insulin recept
or","Signaling by VEGF","PIP3 activates AKT signaling","Mitotic G2-G2/M phases","Leishmania infection","Neutrophil degranulation","trans-Golgi Network Vesicle Budding","Ion homeostasis","Signaling by 
KIT in disease","Response of EIF2AK4 (GCN2) to amino acid deficiency","Hedgehog 'on' state","Signaling by Interleukins","MAPK6/MAPK4 signaling","Signaling by PDGFR in disease","RHO GTPase Effectors","
HIV Infection","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Clathrin-mediated endocytosis","Oncogenic MAPK signaling","M Phase","Signaling by PTK6",
"Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by FGFR","Cellular Senescence","Fc epsilon receptor (FCERI) signaling","Transport of vitamins",nucleosides,"and related molecules
","Caspase activation via extrinsic apoptotic signalling pathway","Interferon Signaling","Abacavir transmembrane transport","Influenza Infection","ABC transporter disorders","MAPK1/MAPK3 signaling","S
ignaling by FGFR in disease","Sphingolipid metabolism","Transport of bile salts and organic acids","metal ions and amine compounds","Metabolism of steroids",SUMOylation,"Transcriptional Regulation by 
TP53","Semaphorin interactions","Signaling by NTRK1 (TRKA)","G alpha (q) signalling events","G1 Phase","Insulin receptor signalling cascade","VEGF ligand-receptor interactions","PTEN Regulation","G2/M
 Transition","L1CAM interactions","Parasite infection","Signaling by ROBO receptors","Transcriptional regulation by RUNX1","Golgi Associated Vesicle Biogenesis","Negative regulation of the PI3K/AKT ne
twork","EPH-Ephrin signaling","Drug resistance of KIT mutants","RET signaling","Interleukin-2 family signaling","Leishmania parasite growth and survival","Drug resistance of PDGFR mutants","RHO GTPase
s activate CIT","Host Interactions of HIV factors","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","VEGFA-VEGFR2 Pathway","RHO GTPases activate PKNs","Carg
o recognition for clathrin-mediated endocytosis","Interleukin-1 family signaling","Signaling by RAS mutants","Mitotic Metaphase and Anaphase","G alpha (i) signalling events","PTK6 promotes HIF1A stabi
lization","Biosynthesis of DHA-derived SPMs","Signaling by FGFR4","Oxidative Stress Induced Senescence","FCERI mediated Ca+2 mobilization","Transport of organic anions","Caspase activation via Depende
nce Receptors in the absence of ligand","Interferon alpha/beta signaling","Toll Like Receptor 4 (TLR4) Cascade","NS1 Mediated Effects on Host Pathways","Defective ABCC2 causes DJS","RAF/MAP kinase cas
cade","Signaling by FGFR2 in disease","Sphingolipid de novo biosynthesis","Organic cation/anion/zwitterion transport","Bile acid and bile salt metabolism","SUMO E3 ligases SUMOylate target proteins","
Regulation of TP53 Activity","Sema4D in semaphorin signaling","Signalling to ERKs","Gastrin-CREB signalling pathway via PKC and MAPK","Cyclin D associated events in G1","IRS-mediated signalling","VEGF
 binds to VEGFR leading to receptor dimerization","Regulation of PTEN stability and activity","Centrosome maturation","Recycling pathway of L1","Leishmania phagocytosis","Role of ABL in ROBO-SLIT sign
aling","RUNX1 regulates transcription of genes involved in BCR signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Signalling to ERK5","EPHA-mediated growth cone collapse","Dasatinib-resistan
t KIT mutants","Interleukin-15 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Imatinib-resistant PDGFR mutants","The role of Nef in HIV-1 replication and disease path
ogenesis","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","VEGFR2 mediated cell proliferation","Interleukin-1 signaling","EPHB-mediated forward signaling","Signalin
g downstream of RAS mutants","Mitotic Anaphase","Visual phototransduction","Biosynthesis of maresins","Negative regulation of FGFR4 signaling","Regulation of IFNA signaling","MyD88-independent TLR4 ca
scade","Inhibition of PKR","Negative regulation of MAPK pathway","FGFR2 mutant receptor activation","Organic cation transport","Recycling of bile acids and salts","SUMOylation of intracellular recepto
rs","Regulation of TP53 Activity through Acetylation","Sema4D induced cell migration and growth-cone collapse","Prolonged ERK activation events","EGFR Transactivation by Gastrin","PI3K Cascade","Loss 
of proteins required for interphase microtubule organization from the centrosome","Sema4D mediated inhibition of cell attachment and migration","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 syn
thesis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","MAP kinase activation","Long-term potentiation","Signalling to RAS","CREB1 phosphorylation thr
ough NMDA receptor-mediated activation of RAS signaling","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids","The phototransduction cascade","Biosynthesis of maresi
n-like SPMs","Spry regulation of FGF signaling","Nef and signal transduction","Nuclear Envelope (NE) Reassembly","TRIF(TICAM1)-mediated TLR4 signaling","Negative feedback regulation of MAPK pathway","
Activated point mutants of FGFR2","PI5P Regulates TP53 Acetylation","ARMS-mediated activation","Loss of Nlp from mitotic centrosomes","Nef Mediated CD4 Down-regulation","activated TAK1 mediates p38 MA
PK activation","p38MAPK events","Ras activation upon Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear events mediated by MAP kinases",Inactivation,"recovery and regulation of the phototransdu
ction cascade","Initiation of Nuclear Envelope (NE) Reformation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{EGFR,NR1I2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{HMS3244N19,Erlotinib,183321-74-6,183321746,"N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine","N(3Ethynylphenyl)6,7bis(2methoxyethoxy)quinazolin4amine","Erlotinib free base","4-((3-Ethy
nylphenyl)amino)-6,7-bis(2-methoxyethoxy)quinazoline","4((3Ethynylphenyl)amino)6,7bis(2methoxyethoxy)quinazoline",OSI-774,OSI774,4-Quinazolinamine,4Quinazolinamine,N-(3-ethynylphenyl)-6,N(3ethynylphen
yl)6,7-bis(2-me,7bis(2me,T0373,S1023,Prestw-1242,"Erlotinib Hydrochloride",ERLOTINIB}

> <pdid>
PD003356

> <targets>
{EGFR(HER),EGFR}

> <classes>
{}

> <pubchem_cids>
{176870}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    6.3990    0.8119    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -6.8067    5.2165    0.0000 O   0  0
   -8.2985    5.3732    0.0000 C   0  0
   -8.9086    4.0029    0.0000 O   0  0
   -7.7943    2.9999    0.0000 C   0  0
   -7.7943    1.4999    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  3
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 12  2  0
 16 17  1  0
 17 18  2  0
 18 10  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21  9  1  0
 21 22  2  0
 22 23  1  0
 23  7  1  0
 23 24  2  0
 24  4  1  0
 24 25  1  0
 25 26  1  0
M  CHG  2   1  -1  21   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11046

> <plate>
PLATE 002

> <well>
B6

> <supplier_cmpd_name>
Berberine hydrochloride

> <ctcr_id>
5845

> <supplier_cmpd_id>
T0461

> <smiles>
[Cl-].COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC

> <pd_targets>
{PTPN1,SENP8,NA,BCHE,FTSZ,TERT,GSC2,TSHR,KCNH2,CYP1B1,ALDH1A1,CYP2D6,ACHE,HIF1A,ALD,IMPA1,KMT2A,MEN1,CYP3A4,MAPT,CYP1A2,HTT,HTR4,RAD52,LEF,RORC,LMNA,AMPC,AKR1C3,AKR1C2,ADRA2B,CHRM1,ADRA2C,HTR2B,SIGMAR
1,NPSR1,SAE1,UBA2,POLB,KDM4E,UBE2I,HPGD}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Membrane receptor","Ion channel","Transcription factor","Epigenetic regulator","Unclassified protein","Other nuclear protein",Phosphatase,Protease,Hydrolase,Transfer
ase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Cytochrome P450",Oxidoreductase,Reader,"Nuclear receptor","Protein Phosphatase","Cysteine protease","Peptide receptor (family A G
PCR)","Potassium channels","Cytochrome P450 family 1","Cytochrome P450 family 2",Bromodomain,"Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Metallo protease","Nuclear hormone re
ceptor subfamily 1","Tyrosine protein phosphatase","Cysteine protease CE clan","Glycohormone receptor","Voltage-gated potassium channel","Cytochrome P450 family 1B","Cytochrome P450 family 2D","Cytoch
rome P450 family 3A","Cytochrome P450 family 1A","Monoamine receptor","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Cysteine protease C48 family","Cytochrome P450 1B1","C
ytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1","Serotonin receptor","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group F member 3","Adrenergic receptor","Acetyl
choline receptor",Aminoacyltransferase,Eraser,"Lysine demethylase","Short peptide receptor (family A GPCR)","Jumonji domain-containing","Neuropeptide receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Other protein targets",Phosphatases,"Peptidases and proteinases","Acetylcholine turnover","G protein-coupled receptors","Voltage-gated ion channels","Cytochrome P450
","Inositol phosphate turnover","Nuclear hormone receptors","Eicosanoid turnover","Sigma receptors","Protein tyrosine phosphatases non-receptor type (PTPN)","CE: Cysteine (C) Peptidases","Glycoprotein
 hormone receptors","Potassium channels","CYP1 family","CYP2 family: drug metabolising subset","Inositol monophosphatase","CYP3 family","5-Hydroxytryptamine receptors","1F. Retinoic acid-related orpha
ns","Prostaglandin synthases",Adrenoceptors,"Acetylcholine receptors (muscarinic)","C48: Ulp1 endopeptidase","Voltage-gated potassium channels","Chromatin modifying enzymes","Neuropeptide S receptor",
"1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins",Metabolism,"Cell Cycle",Disease,"Muscle contraction","Cellular responses to external stimuli","Neuronal System","DNA Repair","Signal Transdu
ction","RNA Polymerase II Transcription","Post-translational protein modification","Metabolism of lipids","Chromosome Maintenance","Infectious disease","Cardiac conduction","Biological oxidations","Ce
llular responses to stress","Inositol phosphate metabolism","Transmission across Chemical Synapses","DNA Double-Strand Break Repair",Mitotic,"Signaling by GPCR","Generic Transcription Pathway",Deubiqu
itination,"Phospholipid metabolism","Telomere Maintenance","Leishmania infection","Phase 3 - rapid repolarisation","Phase I - Functionalization of compounds","Cellular response to hypoxia","Influenza 
Infection","Synthesis of IP2",IP,"and Ins in the cytosol","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Homology Direct
ed Repair","Uptake and actions of bacterial toxins","M Phase","Metabolism of steroids","GPCR ligand binding","SARS-CoV Infections","Transcriptional Regulation by MECP2","UCH proteinases","Glycerophosp
holipid biosynthesis","Extension of Telomeres","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Oxygen-dependent proline hydroxylation of H
ypoxia-inducible Factor Alpha","Virus Assembly and Release","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","HDR through Homologous Recombination (HRR) or Sin
gle Strand Annealing (SSA)","Uptake and function of anthrax toxins","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism","Class A/1 (Rhodopsin-li
ke receptors)","Potential therapeutics for SARS","MECP2 regulates neuronal receptors and channels","Synthesis of PC","Telomere Extension By Telomerase","Anti-inflammatory response favouring Leishmania
 parasite infection","Endogenous sterols",Xenobiotics,"Assembly of Viral Components at the Budding Site","Biosynthesis of maresins","Post NMDA receptor activation events","Regulation of MECP2 expressi
on and activity","HDR through Single Strand Annealing (SSA)","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Synthesis of bile acids and bile salts","Amine ligand-binding rece
ptors","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","Biosyn
thesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids an
d bile salts via 24-hydroxycholesterol",Adrenoceptors,"Muscarinic acetylcholine receptors","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformation","Base Excision Repair",SUMOylation,"R
esolution of Abasic Sites (AP sites)","Processing and activation of SUMO","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","SUMO is conjugated to E1 (UBA2:SAE1)","PCNA-De
pendent Long Patch Base Excision Repair","Biosynthesis of D-series resolvins","Postmitotic nuclear pore complex (NPC) reformation"}

> <broad_targets>
{LDLR}

> <broad_moa>
{"LDL receptor activator"}

> <synonyms>
{"berberine chloride","Berberine hydrochloride",633-65-8,633658,"Natural Yellow 18","Berberinium chloride","Berberine (chloride)","Berberine HCl",UNII-UOT4O1BYV8,UNIIUOT4O1BYV8,"Berberin  hydrochlorid
e",Benzodioxide,MFCD00011939,UOT4O1BYV8,NSC-163088,NSC163088,MLS002702530,T4S0797,T0461,1500811,"NSC 163088",Berberine,"BERBERINE CHLORIDE","Berberine chloride"}

> <pdid>
PD006954

> <targets>
{Antibiotic,Autophagy,Bacterial,Reactive Oxygen Species,Topoisomerase}

> <classes>
{cholinesterase,alpha2 agonist,antiinflammatory,antibacterial,antifungal,antitrypanosomal,immunostimulant,antiarrhythmic,anticonvulsant,antineoplastic,Anti-infection,Autophagy,Cell Cycle/DNA Damage,Im
munology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{12456,6426334}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11047

> <plate>
PLATE 002

> <well>
B7

> <supplier_cmpd_name>
Dropropizine

> <ctcr_id>
739

> <supplier_cmpd_id>
T0452

> <smiles>
OCC(O)CN1CCN(CC1)c2ccccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{antitussive}

> <synonyms>
{dropropizine,17692-31-8,17692318,"3-(4-phenylpiperazin-1-yl)propane-1,2-diol","3(4phenylpiperazin1yl)propane1,2diol",(+-)-Dropropizine,(+)Dropropizine,(+/-)-DROPROPIZINE,(+/)DROPROPIZINE,"1,2-Propane
diol, 3-(4-phenyl-1-piperazinyl)-","1,2Propanediol, 3(4phenyl1piperazinyl)","3-(4-Phenyl-1-piperazinyl)-1,2-propanediol","3(4Phenyl1piperazinyl)1,2propanediol","Dropropizine (R,S)",Dipropizine,"( inve
rted",T0217L,T0452,T0217,1501004,Prestw-245,S4131,Levodropropizine,Dropropizine,DROPROPIZINE}

> <pdid>
PD001510

> <targets>
{"Histamine Receptor"}

> <classes>
{"Neuronal Signaling",antitussive}

> <pubchem_cids>
{3169}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 C   0  0
   -7.7996    1.4882    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
  7 15  1  0
 15 16  2  3
 16  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11048

> <plate>
PLATE 002

> <well>
B8

> <supplier_cmpd_name>
Bucetin

> <ctcr_id>
10920

> <supplier_cmpd_id>
T0442

> <smiles>
CCOC1=CC=C(NC(=O)CC(C)O)C=C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"analgesic agent"}

> <synonyms>
{Bucetin,1083-57-4,1083574,3-Hydroxy-p-butyrophenetidine,3Hydroxypbutyrophenetidine,Betadid,3-Hydroxy-p-butyrophenetidide,3Hydroxypbutyrophenetidide,N-(4-Ethoxyphenyl)-3-hydroxybutanamide,N(4Ethoxyphe
nyl)3hydroxybutanamide,"Butanamide, N-(4-ethoxyphenyl)-3-hydroxy-","Butanamide, N(4ethoxyphenyl)3hydroxy",Bucetinum,4'-Ethoxy-3-hydroxybutyranilide,4'Ethoxy3hydroxybutyranilide,3-Hydroxy-4-butyrophene
tidide,3Hydroxy4butyrophenetidide,p-BUT,pBUT,T0442}

> <pdid>
PD000284

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{14130}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.1992    0.0004    0.0000 C   0  0
   15.5036    3.3817    0.0000 O   0  0
   15.5062    1.8817    0.0000 C   0  0
   16.8068    1.1344    0.0000 O   0  0
   14.2075    1.1294    0.0000 C   0  0
   12.9062    1.8772    0.0000 C   0  0
   12.9062    3.3772    0.0000 C   0  0
   11.6072    4.1272    0.0000 C   0  0
   10.3081    3.3772    0.0000 C   0  0
   10.3082    1.8772    0.0000 C   0  0
   11.6072    1.1272    0.0000 C   0  0
   11.6041   -0.3737    0.0000 N   0  0
   10.3033   -1.1222    0.0000 C   0  0
   10.2980   -2.6223    0.0000 C   0  0
   11.5944   -3.3768    0.0000 Cl  0  0
    8.9964   -3.3678    0.0000 C   0  0
    7.7000   -2.6133    0.0000 C   0  0
    7.7051   -1.1133    0.0000 C   0  0
    9.0068   -0.3678    0.0000 C   0  0
    9.0119    1.1322    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 17  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11049

> <plate>
PLATE 002

> <well>
B9

> <supplier_cmpd_name>
Diclofenac diethylamine

> <ctcr_id>
5338

> <supplier_cmpd_id>
T0432

> <smiles>
CCNCC.OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl

> <pd_targets>
{NFO,AKR1C3,HIF1A,GAA,CYP2C9,PTGS1,CYP3A4,PTGS2,ALD,BLM,FTL,TSHR,PPARG,FABP1,TTR,UGT1A10,ABCB11,CXCL8,UGT1A1,ASIC3,TRPM3,AKR1B10,UGT1A6,UGT1A9,UGT1A7,ALB,FABP2,CACNA1C,TRPA1,SLC22A6,CXCR1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Membrane receptor","Auxiliary transport protein","Secreted protein",Transporter,"Ion channel",Hydrolase,"Cytochrome P450",Oxidoreductase,"Family 
A G protein-coupled receptor","Nuclear receptor","Fatty acid binding protein family",Transferase,"Primary active transporter","Ligand-gated ion channel","Voltage-gated ion channel","Electrochemical tr
ansporter","Cytochrome P450 family 2","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","ATP-binding cassette","Acid-sensing ion channel","Voltage-ga
ted calcium channel","Transient receptor potential channel","SLC superfamily of solute carriers","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Glycohormone receptor","Nuclear hormone recept
or subfamily 1 group C","ABCB subfamily","SLC22 family of organic cation and anion transporters","Chemokine receptor","Cytochrome P450 2C9","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 
group C member 3","CXC chemokine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Ion channels","Eicosanoid turnover","3.2.1.- Glycosidases","Cytochrome P450","G protein-coupled receptors","Nuclear hormone receptors","Fatty a
cid-binding proteins",Transthyretin,"ATP-binding cassette transporter family","UDP glucuronosyltransferases (UGT)","Ligand-gated ion channels","Voltage-gated ion channels","SLC superfamily of solute c
arriers","Prostaglandin synthases","CYP2 family: drug metabolising subset",Cyclooxygenase,"CYP3 family","Glycoprotein hormone receptors","1C. Peroxisome proliferator-activated receptors","ABCB subfami
ly","Acid-sensing (proton-gated) ion channels (ASICs)","Transient Receptor Potential channels","Voltage-gated calcium channels","SLC22 family of organic cation and anion transporters","Chemokine recep
tors","Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli",Disease,"DNA Repair","Vesicle-mediated transport","Gene expression (Transcription)","Signal Transduction","Transport of small molecules","Developme
ntal Biology","Metabolism of lipids","Cellular responses to stress","Diseases of metabolism","Biological oxidations","DNA Double-Strand Break Repair","Membrane Trafficking","Infectious disease","RNA P
olymerase II Transcription","Signaling by GPCR","Ion channel transport","Metabolism of vitamins and cofactors","Nervous system development","SLC-mediated transmembrane transport","Metabolism of steroi
ds","Cellular response to hypoxia","Diseases of carbohydrate metabolism","Phase I - Functionalization of compounds","Fatty acid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)",
"Homology Directed Repair","trans-Golgi Network Vesicle Budding","Leishmania infection","Generic Transcription Pathway","Regulation of lipid metabolism by PPARalpha","GPCR downstream signalling","Phas
e II - Conjugation of compounds","GPCR ligand binding","Metabolic disorders of biological oxidation enzymes","Stimuli-sensing channels","Metabolism of fat-soluble vitamins","Triglyceride metabolism","
Axon guidance","Transport of bile salts and organic acids","metal ions and amine compounds","Bile acid and bile salt metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alp
ha","Glycogen storage diseases","Cytochrome P450 - arranged by substrate type","Arachidonic acid metabolism","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","HDR through Homologo
us Recombination (HRR) or Single Strand Annealing (SSA)","Golgi Associated Vesicle Biogenesis","Leishmania parasite growth and survival","Transcriptional Regulation by MECP2","PPARA activates gene exp
ression","G alpha (i) signalling events",Glucuronidation,"Class A/1 (Rhodopsin-like receptors)","Defective UGT1A1 causes hyperbilirubinemia","TRP channels","Retinoid metabolism and transport","Triglyc
eride catabolism","NCAM signaling for neurite out-growth","Organic cation/anion/zwitterion transport","Synthesis of bile acids and bile salts","Glycogen storage disease type II (GAA)",Xenobiotics,"Syn
thesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of maresins","Biosynthesis of DPAn-3 SPMs","HDR through Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishma
nia parasite infection","MECP2 regulates transcription factors","Visual phototransduction","Peptide ligand-binding receptors","Recycling of bile acids and salts","NCAM1 interactions","Organic anion tr
ansport","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-i
nflammatory cytokines production","The canonical retinoid cycle in rods (twilight vision)","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Chemokine receptors bind chemokines",
"Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{AKR1C3,ALOX5,ASIC1,ASIC3,KCNQ2,KCNQ3,PLA2G2A,PPARG,PTGS1,PTGS2,SCN4A}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{"Diclofenac diethylamine",78213-16-8,78213168,"Diclofenac (diethylamine)",UNII-6TGQ35Z71K,UNII6TGQ35Z71K,6TGQ35Z71K,MFCD01862249,"2-(2-(2,6-dichloroanilino)phenyl)acetic acid;N-ethylethanamine","2(2(
2,6dichloroanilino)phenyl)acetic acid;Nethylethanamine","Diclofenac diethylammonium salt","Voltaren Emulgel (TN)","Diethylammonium Dicl",T0432,S3063,"Diclofenac Diethylamine"}

> <pdid>
PD009905

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{115087,13365607}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 11  0  0  0  0            999 V2000
   31.7999    0.3750    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 Mg  0  0
    3.8007    0.0004    0.0000 O   0  0
    5.1000    0.7500    0.0000 Mg  0  0
    7.6007    0.0004    0.0000 O   0  0
    8.9000    0.7500    0.0000 Mg  0  0
   11.4007    0.0004    0.0000 O   0  0
   12.7000    0.7500    0.0000 Si  0  0
   13.9992    0.0004    0.0000 O   0  0
   16.5007    0.0004    0.0000 O   0  0
   17.7999    0.7500    0.0000 Si  0  0
   19.0992    0.0004    0.0000 O   0  0
   21.6006    0.0004    0.0000 O   0  0
   22.8999    0.7500    0.0000 Si  0  0
   24.1992    0.0004    0.0000 O   0  0
   26.7006    0.0004    0.0000 O   0  0
   27.9999    0.7500    0.0000 Si  0  0
   29.2992    0.0004    0.0000 O   0  0
  2  3  2  0
  4  5  2  0
  6  7  2  0
  8  9  2  0
  9 10  2  0
 11 12  2  0
 12 13  2  0
 14 15  2  0
 15 16  2  0
 17 18  2  0
 18 19  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11050

> <plate>
PLATE 002

> <well>
B10

> <supplier_cmpd_name>
Talc

> <ctcr_id>
6651

> <supplier_cmpd_id>
T0422

> <smiles>
O.O=[Mg].O=[Mg].O=[Mg].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{14807-96-6,14807966,pulvistalci,"Magnesium silicate, hydrous",dioxosilane;oxomagnesium;hydrate,MFCD00792903,13376-74-4,13376744,"Talc, particle size: -200 mesh (<75 microm)","Talc, particle size: 200
 mesh (<75 microm)","Talc powder","Talc Nanoparticles","Talc, CP","Talc, -350 mesh","Talc, 350 mesh",Talc,S1900}

> <pdid>
PD055284

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{16211421}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 27  0  0  0  0            999 V2000
   24.1049   -1.8584    0.0000 H   0  3
   21.6049   -1.8584    0.0000 H   0  3
   19.1049   -1.8584    0.0000 O   0  0
   16.6049   -1.8584    0.0000 O   0  0
   14.1049   -1.8584    0.0000 Cl  0  5
   11.6049   -1.8584    0.0000 Cl  0  5
    9.1049   -5.2344    0.0000 C   0  0
    9.1018   -3.7344    0.0000 C   0  0
    7.8010   -2.9858    0.0000 N   0  0
    6.5010   -3.7358    0.0000 C   0  0
    5.2018   -2.9862    0.0000 C   0  0
    7.7980   -1.4850    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 Cl  0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    7.7884    1.5181    0.0000 O   0  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
 27 17  1  0
 27 21  1  0
 15 28  2  0
 28 29  1  0
 29 30  2  0
 30 13  1  0
 30 31  1  0
M  CHG  4   1   1   2   1   5  -1   6  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11051

> <plate>
PLATE 002

> <well>
B11

> <supplier_cmpd_name>
Amodiaquine hydrochloride

> <ctcr_id>
364

> <supplier_cmpd_id>
T0381

> <smiles>
[H+].[H+].O.O.[Cl-].[Cl-].CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O

> <pd_targets>
{HIF1A,LEF,CYP2D6,CYP2J2,CYP2C9,CYP3A4,CYP2C8,CYP2C19,CYP1A2,KCNH2,REP,ABCB11,HNMT,HPSE,GAA,APP}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Ion channel",Transporter,"Membrane receptor",Protease,"Cytochrome P450","Voltage-gated ion channel",Transferase,"Primary active transporter",Hydrolase,"Metallo protease
","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","Potassium channels","ATP-binding cassette","Metallo protease MAE clan","Cytochrome P450 family 2D","Cytochrome P450 
family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Voltage-gated potassium channel","ABCB subfamily","Metallo protease M34 family","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochr
ome P450 3A4","Cytochrome P450 2C8","Cytochrome P450 2C19","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Ion channels","Other protein targets",Transporters,"Cytochrome P450","Voltage-gated ion channels","Anti-infective targets","ATP-binding cassette transporter family","3.2.1.- Glycosidases","C
YP2 family: drug metabolising subset","CYP3 family","CYP1 family","Potassium channels","Viral protein targets","ABCB subfamily","Voltage-gated potassium channels","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Disease,Metabolism,"Muscle contraction","Immune System","Cellular responses to stress","Infectious disease","Biological oxidations","Metabolism of lipids","Ca
rdiac conduction","Metabolism of amino acids and derivatives","Metabolism of carbohydrates","Diseases of metabolism","Innate Immune System","Cellular response to hypoxia","Uptake and actions of bacter
ial toxins","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Phase 3 - rapid repolarisation","SARS-CoV Infections","Metabolism of steroids","Sele
noamino acid metabolism","Glycosaminoglycan metabolism","Diseases of carbohydrate metabolism","Toll-like Receptor Cascades","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","
Uptake and function of anthrax toxins","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","SARS-CoV-1 Infection","SARS-CoV-2 Infection","Bile acid and bile salt metaboli
sm","Metabolism of ingested SeMet",Sec,"MeSec into H2Se","Heparan sulfate/heparin (HS-GAG) metabolism","Glycogen storage diseases","Toll Like Receptor 5 (TLR5) Cascade",Xenobiotics,"Fatty acids","Bios
ynthesis of maresins","SARS-CoV-1 Genome Replication and Transcription","SARS-CoV-2 Genome Replication and Transcription","Synthesis of bile acids and bile salts","HS-GAG degradation","Glycogen storag
e disease type II (GAA)","MyD88 cascade initiated on plasma membrane","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Replica
tion of the SARS-CoV-1 genome","Replication of the SARS-CoV-2 genome","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","TAK1 activates NFkB by phosphorylation and activation of I
KKs complex"}

> <broad_targets>
{HNMT}

> <broad_moa>
{"histamine receptor agonist"}

> <synonyms>
{RESTW30,CHEBI:50652,AKOS026749883,"Amodiaquinium dihydrochloride dihydrate","Amodiaquin dihydrochloride dihydrate",6398-98-7,6398987,"Amodiaquine dihydrochloride dihydrate","Amodiaquine HCl",UNII-K6P
W2S574L,UNIIK6PW2S574L,"Amodiaquin HCl hydrate",K6PW2S574L,"Amodiaquine hydr",T0381,Prestw-309,"Amodiaquine hydrochloride"}

> <pdid>
PD009890

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{24906321,517313,64646}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0934   -6.1101    0.0000 S   0  0
   -0.5570   -7.5366    0.0000 C   0  0
   -2.0570   -7.5366    0.0000 C   0  0
   -2.5205   -6.1100    0.0000 C   0  0
   -3.9443   -5.6380    0.0000 C   0  0
    8.9987   -1.1433    0.0000 O   0  0
    8.9987   -2.6433    0.0000 C   0  0
    7.6987   -3.3933    0.0000 C   0  0
    7.6987   -4.8933    0.0000 O   0  0
    6.3987   -2.6433    0.0000 C   0  0
    6.3987   -1.1433    0.0000 O   0  0
    5.0994   -3.3929    0.0000 O   0  0
   10.2987   -3.3933    0.0000 C   0  0
   10.2987   -4.8933    0.0000 O   0  0
   11.5980   -2.6437    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 10  2  0
 14 15  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 17 23  1  0
 23 24  1  0
 23 25  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11052

> <plate>
PLATE 002

> <well>
C2

> <supplier_cmpd_name>
Morantel tartrate

> <ctcr_id>
74

> <supplier_cmpd_id>
T0363

> <smiles>
CN1CCCN=C1/C=C/c2sccc2C.OC(C(O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"MORANTEL TARTRATE","MORANTEL TARTRATE SALT",26155-31-7,26155317,MLS000069820,"26155-31-7 (tartrate)","26155317 (tartrate)",SMR000058831,"Morantel (tartrate)",Prestwick_508,Prestwick508,Prestwick-508
,"Prestwick 508","CP-12,009-18","CP12,00918",Opera_ID_226,OperaID226,Opera-ID-226,"Opera ID 226",Prestwick2_000061,Prestwick2000061,Prestwick2-000061,"Prestwick2 000061",Prestwick3_000061,Prestwick300
0061,Prestwick3-000061,"Prestwick3 000061",BSPBio_000241,BSPBio000241,BSPBio-000241,"BSPBio 000241",MLS001148663,SC,T0363,Prestw-61,"Morantel tartrate"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6419965}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    1.2948   -3.7516    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 C   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.2524    0.2436    0.0000 C   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -5.5608    2.8298    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
  9 17  1  0
 17 18  2  0
 18  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11053

> <plate>
PLATE 002

> <well>
C3

> <supplier_cmpd_name>
Loxoprofen

> <ctcr_id>
10922

> <supplier_cmpd_id>
T0463

> <smiles>
CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1

> <pd_targets>
{PTGS2,PTGS1,NFO,KMT2A}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Oxidoreductase,Hydrolase,Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Chromatin modifying enzymes",Cyclooxygenase,"2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of lipids","RNA Polymerase II Transcription","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism","Generic Tran
scription Pathway","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Transcriptional regulation by RUNX1","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxan
es (TX)","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function"}

> <broad_targets>
{PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor","prostanoid receptor antagonist"}

> <synonyms>
{68767-14-6,68767146,"2-(4-((2-Oxocyclopentyl)methyl)phenyl)propanoic acid","2(4((2Oxocyclopentyl)methyl)phenyl)propanoic acid",Loxoprofene,Loxoprofeno,Koloxo,Loxoprofenum,"Loxoprofen (INN)","2-(4-((2
-oxocyclopentyl)methyl)phenyl)propanoic acid","2(4((2oxocyclopentyl)methyl)phenyl)propanoic acid",UNII-3583H0GZAP,UNII3583H0GZAP,MFCD00864331,CHEMBL19299,3583H0GZ,T0463,Loxoprofen}

> <pdid>
PD001290

> <targets>
{COX}

> <classes>
{Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{3965}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 12  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5978   -1.5022    0.0000 C   0  0  1  0  0  0
   -2.5953   -3.0022    0.0000 O   0  0
   -3.8990   -0.7544    0.0000 C   0  0
   -5.1978   -1.5065    0.0000 N   0  0
   -6.4983   -0.7591    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.0987   -0.7515    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  0
 10 11  1  0
  6 12  2  0
 12  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11054

> <plate>
PLATE 002

> <well>
C4

> <supplier_cmpd_name>
Phenylephrine hydrochloride

> <ctcr_id>
10923

> <supplier_cmpd_id>
T0453

> <smiles>
Oc1cccc([C@@H](O)CNC)c1.Cl

> <pd_targets>
{HIF1A,ADRA1A,ADRA1D,ADRA1B,ADRA2A,ADRA2B,ADRA2C,ADRB1,ADRB2,ADRB3,NFKB1,TSHR,GAA,BLM,LMNA,KDM4E}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor","Other cytosolic protein",Enzyme,"Other nuclear protein","Epigenetic regulator","Family A G protein-coupled receptor",Hydrolase,Eraser,"Small molecule recep
tor (family A GPCR)","Peptide receptor (family A GPCR)","Lysine demethylase","Monoamine receptor","Glycohormone receptor","Jumonji domain-containing","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","3.2.1.- Glycosidases","Chromatin modifying enzymes",Adrenoceptors,"Glycoprotein hormone receptors","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Signal Transduction",Disease,"Immune System","DNA Repair","Cell Cycle","Cellular responses to stress","Signaling by GPCR","Infectious disease","Cytokine Sign
aling in Immune system","Diseases of metabolism","DNA Double-Strand Break Repair",Mitotic,"Cellular response to hypoxia","GPCR ligand binding","Leishmania infection","Signaling by Interleukins","Disea
ses of carbohydrate metabolism","Homology Directed Repair","M Phase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Class A/1 (Rhodopsin-like receptors)","Leishmania paras
ite growth and survival","Interleukin-1 family signaling","Glycogen storage diseases","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Am
ine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Interleukin-1 signaling","Glycogen storage disease type II (GAA)","HDR through Homologous Recombinat
ion (HRR)","Mitotic Anaphase",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Homologous DNA Pairing and Strand Exchange","Nuclear
 Envelope (NE) Reassembly","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{"PHENYLEPHRINE HYDROCHLORIDE","Phenylephrine HCl",61-76-7,61767,"L-PHENYLEPHRINE HYDROCHLORIDE","LPHENYLEPHRINE HYDROCHLORIDE","Metaoxedrine chloride",Adrianol,Biomydrin,Mydfrin,Neophryn,Nostril,Pref
rin,Rhinall,Neo-Synephrine,NeoSynephrine,"Alcon Efrin",(R)-(-)-Phenylephrine,(R)()Phenylephrine,T0453,"Phenylephrine hydrochloride"}

> <pdid>
PD010076

> <targets>
{"¦Á-adrenergic receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{5284443}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
    3.9020    3.7405    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    0.0136    6.0070    0.0000 C   0  0
    0.0209    7.5070    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  1  0
  5 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  1  6
 17 19  1  0
 19  3  1  0
 19 20  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11055

> <plate>
PLATE 002

> <well>
C5

> <supplier_cmpd_name>
Salicoside

> <ctcr_id>
2134

> <supplier_cmpd_id>
T0443

> <smiles>
OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"anti-inflammatory agent"}

> <synonyms>
{EAD32BE1-198E-432C-9F44-DC0DC9A3305B,EAD32BE1198E432C9F44DC0DC9A3305B,salicin,138-52-3,138523,Salicoside,Salicine,D-(-)-Salicin,D()Salicin,"Salicyl alcohol glucoside",D-Salicin,DSalicin,"2-(Hydroxyme
thyl)phenyl beta-D-glucopyranoside","2(Hydroxymethyl)phenyl betaDglucopyranoside","Saligenin beta-D-glucopyranoside","Saligenin betaDglucopyranoside","alpha-Hydroxy-o-tolyl beta-D-glucopy","alphaHydro
xyotolyl betaDglucopy",T0443,1502255,SALICIN}

> <pdid>
PD001330

> <targets>
{COX}

> <classes>
{analgesic,antipyretic,Immunology/Inflammation}

> <pubchem_cids>
{439503}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
   -0.6010    4.3285    0.0000 C   0  0
    0.1500    3.0300    0.0000 C   0  0
    1.8400    3.0300    0.0000 C   0  0
    2.6900    1.5700    0.0000 C   0  0
    1.8400    0.1000    0.0000 C   0  0
    2.6900   -1.3600    0.0000 C   0  0
    4.1900   -1.3600    0.0000 C   0  0
    1.8400   -2.8200    0.0000 C   0  0
    2.5846   -4.1210    0.0000 O   0  0
    1.8301   -5.4184    0.0000 C   0  0
    0.3301   -5.4132    0.0000 O   0  0
    2.5756   -6.7210    0.0000 C   0  0
    1.8211   -8.0184    0.0000 C   0  0
    2.5666   -9.3209    0.0000 C   0  0
    1.8126  -10.6176    0.0000 O   0  0
    4.0666   -9.3261    0.0000 O   0  0
    0.1500   -2.8200    0.0000 O   0  0
   -0.6900   -1.3600    0.0000 C   0  0
   -1.9100   -1.3600    0.0000 O   0  0
   -2.7600   -0.5000    0.0000 C   0  0  1  0  0  0
   -1.3725    0.0700    0.0000 C   0  0
   -2.7600    0.7100    0.0000 C   0  0
   -1.9100    1.5700    0.0000 C   0  0
   -0.6900    1.5700    0.0000 C   0  0
    0.1500    0.1000    0.0000 C   0  0  1  0  0  0
   -1.1700    0.6900    0.0000 O   0  0
   -2.1000    0.1500    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  8 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24  2  1  0
 24 25  1  0
 25  5  1  0
 25 18  1  0
 25 26  1  6
 26 27  1  0
 27 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11056

> <plate>
PLATE 002

> <well>
C6

> <supplier_cmpd_name>
Artesunate

> <ctcr_id>
7793

> <supplier_cmpd_id>
T0433

> <smiles>
CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3O[C@@]4(C)CCC1[C@@]23OO4

> <pd_targets>
{EXP-1,HTT}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by MECP2","Regulation of MECP2 expression and activity"}

> <broad_targets>
{}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{HMS3393I14,S2265,Artesunate}

> <pdid>
PD000729

> <targets>
{Ferroptosis,Parasite,STAT,Virus Protease}

> <classes>
{Anti-infection,Apoptosis,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{71296895}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 19  0  0  0  0            999 V2000
   19.1999    0.3750    0.0000 Na  0  3
   16.6999    0.3750    0.0000 Na  0  3
   14.1999    0.3750    0.0000 Na  0  3
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 N   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   10.3999   -1.0000    0.0000 O   0  5
   11.6992    0.7496    0.0000 O   0  0
    7.8030   -1.5008    0.0000 C   0  0
    9.1038   -2.2494    0.0000 C   0  0
    9.9690   -1.7479    0.0000 O   0  5
    9.1069   -3.7494    0.0000 O   0  0
    3.9031    2.2508    0.0000 C   0  0
    5.2039    2.9994    0.0000 C   0  0
    6.5016    2.2471    0.0000 O   0  5
    5.2070    4.4994    0.0000 O   0  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 11 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
  8 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
M  CHG  6   1   1   2   1   3   1  14  -1  18  -1  22  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11057

> <plate>
PLATE 002

> <well>
C7

> <supplier_cmpd_name>
Edetate Trisodium

> <ctcr_id>
10924

> <supplier_cmpd_id>
T0423

> <smiles>
[Na+].[Na+].[Na+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Edetate trisodium",150-38-9,150389,"Trisodium ethylenediaminetetraacetate","EDTA trisodium salt","Trisodium edetate","Ethylenediaminetetraacetic acid trisodium salt",UNII-420IP921MB,UNII420IP921MB,"
Trisodium hydrogen ethylenediaminetetraacetate","Trisodium e",T0423,Edetate Trisodium}

> <pdid>
PD009038

> <targets>
{"metal ion"}

> <classes>
{Others}

> <pubchem_cids>
{9008}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 11  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11058

> <plate>
PLATE 002

> <well>
C8

> <supplier_cmpd_name>
D-Mannitol

> <ctcr_id>
3567

> <supplier_cmpd_id>
T0414

> <smiles>
OCC(O)C(O)C(O)C(O)CO

> <pd_targets>
{L3MBTL1,LMNA,RORC}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein",Reader,"Methyl-lysine/arginine binding protein","MBT domain","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear h
ormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","RNA Polymerase II Transcription",Mitotic,"Generic Transcription Pathway","M Phase","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase
","Regulation of TP53 Activity","Mitotic Anaphase","Regulation of TP53 Activity through Methylation","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation","Transcription
al regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{}

> <broad_moa>
{"mucolytic agent"}

> <synonyms>
{MANNITO,Hexitol,"hexane-1,2,3,4,5,6-hexol","hexane1,2,3,4,5,6hexol","hexane-1,2,3,4,5,6-hexaol","hexane1,2,3,4,5,6hexaol",Allodulcitol,Mannitol;Mannite,45007-61-2,45007612,Sorbitol;D-Glucitol,Sorbito
l;DGlucitol,DL-Mannitol,DLMannitol,"SORBITOL, (D)",Sorbit,Sorbo,Hexahydroxyhexane,NSC1944,NSC9256,"Dulcitol; Melampyrit; NSC 1944",NSC25944,Res,S2381,D-Mannitol}

> <pdid>
PD000463

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{453}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 11  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11059

> <plate>
PLATE 002

> <well>
C9

> <supplier_cmpd_name>
Hydroxyquinoline

> <ctcr_id>
1344

> <supplier_cmpd_id>
T0404

> <smiles>
Oc1cccc2cccnc12

> <pd_targets>
{HSP90AA1,METAP2,RORC,ALD,BOTA,METAP1,COMT,LEF,LSS,TSHR,FFP,LMNA,ALOX12,ALDH1A1,KDM4E}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Transcription factor","Membrane receptor","Other nuclear protein","Epigenetic regulator",Protease,"Nuclear receptor",Transferase,Isomerase,"Family A G protein-couple
d receptor",Oxidoreductase,Eraser,"Metallo protease","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Lysine demethylase","Metallo protease MG clan","Nuclear hormone receptor
 subfamily 1 group F","Metallo protease MAE clan","Glycohormone receptor","Jumonji domain-containing","Metallo protease M24A subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Metallo
 protease M27 family","Metallo protease M34 family"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"Heat shock proteins","Peptidases and proteinases","Nuclear hormone receptors","Catecholamine turnover","Lanosterol biosynthesis pathway","G protein-coupled 
receptors","Eicosanoid turnover","Chromatin modifying enzymes","MG: Metallo (M) Peptidases","1F. Retinoic acid-related orphans","Glycoprotein hormone receptors",Lipoxygenases,"1.14.11.- Histone demeth
ylases","M24: Methionyl aminopeptidase"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction","Gene expression (Transcription)",Disease,"Neuronal System",Metabolism,Mitotic,"Signaling by GPCR","RNA Polymerase II Transcription","Infectious disease","Transmiss
ion across Chemical Synapses","Metabolism of lipids","Biological oxidations","Mitotic G2-G2/M phases","GPCR downstream signalling","Generic Transcription Pathway","Uptake and actions of bacterial toxi
ns","Neurotransmitter clearance","Metabolism of steroids","Leishmania infection","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","G2/M 
Transition","G alpha (i) signalling events","Transcriptional regulation by RUNX3","Neurotoxicity of clostridium toxins","Dopamine clearance from the synaptic cleft","Uptake and function of anthrax tox
ins","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Biosynthesis of DPA-derived SPMs","Ethanol oxidation","Centro
some maturation","Visual phototransduction","RUNX3 Regulates Immune Response and Cell Migration","Toxicity of botulinum toxin type A (botA)","Enzymatic degradation of dopamine by COMT","Activation of 
gene expression by SREBF (SREBP)","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","Loss of proteins required for interphase microt
ubule organization from the centrosome","The phototransduction cascade","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived mar
esins","Loss of Nlp from mitotic centrosomes",Inactivation,"recovery and regulation of the phototransduction cascade","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{METAP2}

> <broad_moa>
{"chelating agent"}

> <synonyms>
{8-HYDROXYQUINOLINE,8HYDROXYQUINOLINE,quinolin-8-ol,quinolin8ol,8-quinolinol,8quinolinol,148-24-3,148243,Oxyquinoline,Oxine,Quinophenol,Oxychinolin,8-Quinol,8Quinol,8-Oxyquinoline,8Oxyquinoline,Phenop
yridine,8-Hydroxychinolin,8Hydroxychinolin,Bioquin,Oxybenzopyridine,Hydroxybenzopyridine,Oxin,1-Azanaphthalene-8-ol,1Azanaphthalene8ol,Tumex,8-Chinoli,8Chinoli,T0404,NSC285166,"NSC 285166",Hydroxyquin
oline}

> <pdid>
PD011920

> <targets>
{Antibiotic,Bacterial}

> <classes>
{Anti-infection}

> <pubchem_cids>
{1923}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 20  0  0  0  0            999 V2000
    8.8990   -1.1247    0.0000 H   0  3
    6.3990   -1.1247    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    2.6016    2.9971    0.0000 C   0  0
    1.3070    5.2494    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 N   0  0
   -2.6109   -7.4988    0.0000 C   0  0
   -3.9055   -5.2465    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  8 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16  6  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11060

> <plate>
PLATE 002

> <well>
C10

> <supplier_cmpd_name>
Moxisylyte hydrochloride

> <ctcr_id>
612

> <supplier_cmpd_id>
T0394

> <smiles>
[H+].[Cl-].CC(C)c1cc(OC(C)=O)c(C)cc1OCCN(C)C

> <pd_targets>
{CYP2D6,PKM,HIF1A,ADRA2B,CHRM1,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2C,CYP1A2,BLM}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Membrane receptor","Cytochrome P450","Family A G protein-coupled receptor","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Cytochrome P450 family 
1","Cytochrome P450 family 2D","Monoamine receptor","Cytochrome P450 family 1A","Cytochrome P450 2D6","Adrenergic receptor","Acetylcholine receptor","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","2.7.1.40 Pyruvate kinases","G protein-coupled receptors","CYP2 family: drug metabolising subset",Adrenoceptors,"Acetylcholine receptors (muscarinic)","CYP1 family
"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Signal Transduction","DNA Repair","Biological oxidations","Metabolism of carbohydrates","Cellular responses to stress","Signaling by GPCR","DNA Do
uble-Strand Break Repair","Phase I - Functionalization of compounds","Glucose metabolism","Cellular response to hypoxia","GPCR ligand binding","Homology Directed Repair","Cytochrome P450 - arranged by
 substrate type",Glycolysis,"Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Class A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR) or Single Stra
nd Annealing (SSA)",Xenobiotics,"Amine ligand-binding receptors","HDR through Homologous Recombination (HRR)","CYP2E1 reactions",Adrenoceptors,"Muscarinic acetylcholine receptors","Aromatic amines can
 be N-hydroxylated or N-dealkylated by CYP1A2","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{Arlitene,Carlytene,Vasoklin,Opilon,M-101,M101,"M 101","Moxisylyte HCl","WV 365",UNII-WK2KZM9V6X,UNIIWK2KZM9V6X,"UNII WK2KZM9V6X",WK2KZM9V6X,Enfrental,Limatene,"Moxisylyte hydrochloride (JAN)","5-(2-(
N,N-Dimethylamino)ethoxy)carvacrol acetate hydrochloride","5(2(N,NDimethylamino)ethoxy)carvacrol acetate hydrochloride","5 (2 (N,N Dimethylamino)ethoxy)carvacrol acetate hydrochloride","EINECS 213-519
-4","EINECS 2135194","EINECS 213 519 4",T0394,Prestw-42,"Moxisylyte hydrochloride","Moxisylyte hydrochoride"}

> <pdid>
PD009005

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{13758,6420039,657313}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 10  0  0  0  0            999 V2000
   12.7999    1.1254    0.0000 Na  0  3
    1.3000    2.2500    0.0000 O   0  5
    1.3000    0.7500    0.0000 S   0  0
    0.0007    0.0004    0.0000 O   0  0
    0.0011    1.5002    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 S   0  0
    7.7992    0.0004    0.0000 O   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7989    1.5002    0.0000 O   0  5
   10.2999    1.1254    0.0000 Na  0  3
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
M  CHG  4   1   1   2  -1  12  -1  13   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11061

> <plate>
PLATE 002

> <well>
C11

> <supplier_cmpd_name>
Eprodisate disodium

> <ctcr_id>
10925

> <supplier_cmpd_id>
T0382

> <smiles>
[Na+].[O-]S(=O)(=O)CCCS(=O)(=O)[O-].[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Eprodisate disodium",36589-58-9,36589589,"Eprodisate sodium","Disodium 1,3-Propanedisulfonate","Disodium 1,3Propanedisulfonate",NC-503,NC503,"Disodium propane-1,3-disulfonate","Disodium propane1,3di
sulfonate",Kiacta,"1,3-Propanedisulfonic acid disodium salt","1,3Propanedisulfonic acid disodium salt","1,3-Propanedisulfonic acid, disodium salt","1,3Propanedisulfonic acid, disodium salt",Eprodisat,
T0382}

> <pdid>

> <targets>
{SAA}

> <classes>
{Others}

> <pubchem_cids>
{6451143}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3039    3.7494    0.0000 N   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6078    5.9988    0.0000 C   0  0
    2.6109    7.4996    0.0000 N   0  0
    3.9117    8.2482    0.0000 C   0  0
    3.9148    9.7482    0.0000 C   0  0
    1.3140    8.2550    0.0000 C   0  0
    1.3187    9.7549    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
  8 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 19  1  0
 24 25  2  0
 25  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11062

> <plate>
PLATE 002

> <well>
D2

> <supplier_cmpd_name>
Dibucaine

> <ctcr_id>
796

> <supplier_cmpd_id>
T0364

> <smiles>
CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1

> <pd_targets>
{CYP2D6,KDM4E,ABCB11,HPGD,SCN1A,SCN2A,SCN3A,LMNA,ALDH1A1,GAA,EIF4G1,CYP1A2,HTT,RORC,ALOX15,SCN10A,SCN5A,CALM1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transporter,"Ion channel","Other nuclear protein","Unclassified protein","Transcription factor","Cytochrome P450",Eraser,"Primary active transporter","Voltage-gated ion 
channel",Oxidoreductase,Hydrolase,"Nuclear receptor","Cytochrome P450 family 2","Lysine demethylase","ATP-binding cassette","Voltage-gated sodium channel","Cytochrome P450 family 1","Nuclear hormone r
eceptor subfamily 1","Cytochrome P450 family 2D","Jumonji domain-containing","ABCB subfamily","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 2D6","Cytochro
me P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Ion channels","Cytochrome P450","Chromatin modifying enzymes","ATP-binding cassette transporter family","Eicosanoid turnover","3.2.1.- Glycosidases","Nuclear hormone r
eceptors","Voltage-gated ion channels","CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","ABCB subfamily","Prostaglandin synthases","CYP1 family","1F. Retinoic acid-related orph
ans",Lipoxygenases,"Voltage-gated sodium channels"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Metabolism of proteins","Gene expression (Transcription)","Developmental Biology","Neuronal System","Biological oxidations","Metabolism of lipids",Mitotic,"Diseases o
f metabolism",Translation,"RNA Polymerase II Transcription","Nervous system development","Transmission across Chemical Synapses","Phase I - Functionalization of compounds","Metabolism of steroids","Bi
osynthesis of specialized proresolving mediators (SPMs)","M Phase","Diseases of carbohydrate metabolism","Eukaryotic Translation Initiation","Generic Transcription Pathway","Axon guidance","Neurotrans
mitter receptors and postsynaptic signal transmission","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Ana
phase","Ethanol oxidation","Glycogen storage diseases","Cap-dependent Translation Initiation","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived S
PMs","L1CAM interactions","Activation of NMDA receptors and postsynaptic events",Xenobiotics,"Synthesis of bile acids and bile salts","Biosynthesis of D-series resolvins","Mitotic Anaphase","Glycogen 
storage disease type II (GAA)","Activation of the mRNA upon binding of the cap-binding complex and eIFs","and subsequent binding to 43S","Regulation of MECP2 expression and activity","RUNX3 Regulates 
Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Interaction between L1 and Ankyrins","Post NMDA receptor activation events","CYP2E1 reactions","Synthesis of bile acids and bile salt
s via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Translation initiation complex formation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of DPAn-
3-derived protectins and resolvins","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Initiation of Nuclear Envelope (NE) Reformation","Ras activation upon Ca2+ influ
x through NMDA receptor"}

> <broad_targets>
{CALM1,SCN10A,SCN5A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{RESTW7,dibucaine,Cinchocaine,85-79-0,85790,Nupercaine,Nupercainal,Dermacaine,Dibucain,Sovcaine,"Dibucaine Base",Percamine,Cinchocainum,Cincocainio,2-butoxy-N-(2-(diethylamino)ethyl)quinoline-4-carbox
amide,2butoxyN(2(diethylamino)ethyl)quinoline4carboxamide,"Dibucaine (USP)","2-Butoxyquinoline-4-carboxylic aci","2Butoxyquinoline4carboxylic aci",T0364,Prestw-76,Dibucaine}

> <pdid>
PD009977

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3025}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 37  0  0  0  0            999 V2000
    9.0765  -12.7726    0.0000 C   0  0
    7.7791  -12.0198    0.0000 C   0  0
    7.7813  -10.5190    0.0000 N   0  0
    9.0809   -9.7683    0.0000 C   0  0
    9.0815   -8.2683    0.0000 C   0  0
    6.4832   -9.7658    0.0000 C   0  0
    6.4855   -8.2650    0.0000 C   0  0
    5.1873   -7.5118    0.0000 O   0  0
    5.1896   -6.0110    0.0000 C   0  0
    3.8914   -5.2578    0.0000 C   0  0
    3.8937   -3.7570    0.0000 O   0  0
    2.5955   -3.0038    0.0000 C   0  0
    1.2951   -3.7514    0.0000 O   0  0
    2.5978   -1.5030    0.0000 C   0  0
    2.7019   -0.0432    0.0000 C   0  0
    4.1696    0.2662    0.0000 C   0  0
    4.9175   -1.0340    0.0000 C   0  0
    3.9119   -2.1471    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   12.8815   -4.8954    0.0000 O   0  0
   12.8815   -6.3954    0.0000 C   0  0
   11.5822   -7.1449    0.0000 O   0  0
   14.1815   -7.1454    0.0000 C   0  0
   15.4815   -6.3954    0.0000 C   0  0
   16.7801   -7.1462    0.0000 O   0  0
   15.4829   -4.8945    0.0000 C   0  0
   16.7829   -4.1445    0.0000 C   0  0
   18.0815   -4.8954    0.0000 O   0  0
   16.7843   -2.6445    0.0000 O   0  0
   15.4827   -7.9253    0.0000 C   0  0
   14.1840   -8.6759    0.0000 O   0  0
   16.7819   -8.6751    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
 14 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 29 35  1  0
 35 36  1  0
 35 37  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11063

> <plate>
PLATE 002

> <well>
D3

> <supplier_cmpd_name>
Carbetapentane citrate

> <ctcr_id>
783

> <supplier_cmpd_id>
T0464

> <smiles>
CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Carbetapentane citrate","Pentoxyverine citrate",23142-01-0,23142010,"Pentoxiverine citrate","Carbetapentane (citrate)","Carbetapentane citrate salt",UNII-4SH0MFJ5HJ,UNII4SH0MFJ5HJ,4SH0MFJ5HJ,Loucarb
ate,Toclase,MFCD00055697,"Toclase citrate",2-(2-diethy,2(2diethy,T0464,1501129,Prestw-387,"CARBETAPENTANE CITRATE"}

> <pdid>

> <targets>
{}

> <classes>
{antitussive}

> <pubchem_cids>
{90010}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  1  0            999 V2000
    2.5983   -3.0004    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0  2  0  0  0
   -3.8995   -0.7554    0.0000 C   0  0
   -5.1983   -1.5058    0.0000 F   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0983    0.7368    0.0000 Cl  0  0
   -7.8029    2.9887    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11064

> <plate>
PLATE 002

> <well>
D4

> <supplier_cmpd_name>
Florfenicol

> <ctcr_id>
3346

> <supplier_cmpd_id>
T0454

> <smiles>
C[S](=O)(=O)c1ccc(cc1)C(O)[C@H](CF)NC(=O)C(Cl)Cl

> <pd_targets>
{CYP3A4,LMNA,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Epigenetic regulator","Cytochrome P450",Reader,"Cytochrome P450 family 3",Bromodomain,"Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Metabolism of lipids",Mitotic,"Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Biosy
nthesis of maresins","Mitotic Anaphase","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{SR-05000001818,SR05000001818,CHEBI:95150,HMS2093J18,CCG-213585,CCG213585,SBI-0206883.P001,SBI0206883.P001,AB01563337_01,AB0156333701,AB01563337-01,"AB01563337 01",SR-05000001818-1,SR050000018181,SR-0
5000001818-3,SR050000018183,BRD-A30886737-001-01-1,BRDA30886737001011,Q27166943,1505978,FLORFENICOL}

> <pdid>
PD000246

> <targets>
{Antibiotic,Bacterial}

> <classes>
{antibacterial,Anti-infection}

> <pubchem_cids>
{45114154}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.1517    0.8676    0.0000 C   0  0
  -10.1554    1.9823    0.0000 C   0  0
   -9.4054    3.2814    0.0000 N   0  0
   -7.9382    2.9695    0.0000 C   0  0
   -5.2029    2.9939    0.0000 C   0  0
   -6.5023    3.7436    0.0000 C   0  0
   -7.3681    3.2433    0.0000 Cl  0  0
   -6.5029    5.2436    0.0000 C   0  0
   -5.2041    5.9941    0.0000 C   0  0
   -5.2047    7.4941    0.0000 Cl  0  0
   -3.9048    5.2446    0.0000 C   0  0
   -3.9042    3.7446    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
  8 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 15  1  0
  5 23  1  0
 23 24  2  0
 24  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11065

> <plate>
PLATE 002

> <well>
D5

> <supplier_cmpd_name>
Econazole

> <ctcr_id>
10926

> <supplier_cmpd_id>
T0444

> <smiles>
Clc1ccc(COC(Cn2ccnc2)c2c(Cl)cc(Cl)cc2)cc1

> <pd_targets>
{HIF1A,RECA,RORC,CYP3A4,DNAB,HSP90AA1,MAPT,KMT2A,MEN1,MAPK1,TP53,SKA,USP2,NPSR1,LMNA,HTT,POLB,MDH1,AMPC,IDO1,NR1H4,IDO2,ADRA2B,CHRM3,HTR2B,HTR2C,TACR2,HTR2A,ADRA2A,SLC6A3,CHRM4,ADRA2C,SLC6A2,CYP1A2,DR
D3,CHRM5,SLC6A4,CYP2C9,CYP2D6,ADORA3,CHRM1,TBXAS1,CYP2C19,FYN,ERG11,AR,NPY2R,PGR,BCHE,CYP8B1,CYP51,CYP17A1,HTR1B,ABCB11,ACHE,ADRA1A,CNR1,CYP121,FFP,GAA,NPY1R,TSHR,ALDH1A1,LEF,RECQL,OPRM1,HTR1A,HTR6,OR
AI1,DRD2,MC3R,OPRD1,OPRK1,MMP9,EGFR,ADORA2A,ADRB3,DRD4,ADORA1,ADRB1,CHRM2,MC5R,SIGMAR1,TACR1,ERBB2,CYP51A1,HRH2,ADRA1D,TRPM2,TRPV5,NR1I2,ULK1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other cytosolic protein","Epigenetic regulator","Unclassified protein","Membrane receptor","Other nuclear protein",Transporter,"Nuclear receptor","Cytochrome P450",Read
er,Kinase,Protease,"Family A G protein-coupled receptor",Oxidoreductase,Hydrolase,"Electrochemical transporter","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3",Bromodomain,"Protein K
inase","Cysteine protease","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 1","Cytochrome P450 family 2","Cyto
chrome P450 family 5","Cytochrome P450 family 51","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","CMGC protein kinase group","Cysteine protease CA clan","Short peptide rece
ptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group H","Monoamine receptor","SLC06 neurotransmitter transporter family","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Cytochrom
e P450 family 2D","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 family 5A","TK protein kinase group","Cytochrome P450 family 51A","Nuclear hormone receptor subfamily 1 group F member 3",
"Cytochrome P450 3A4","CMGC protein kinase MAPK family","Cysteine protease C19 family","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group H member 4","Adrenergic receptor","Acetylchol
ine receptor","Serotonin receptor","Neurokinin receptor","Cytochrome P450 1A1","Dopamine receptor","Cytochrome P450 2C9","Cytochrome P450 2D6","Adenosine receptor","Cytochrome P450 5A1","Cytochrome P4
50 2C19","Tyrosine protein kinase Src family","Cytochrome P450 51A1","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA","Ion channel","Primary active transporter",Transferase,"Other ion channel
","Voltage-gated ion channel","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 17","ATP-binding cassette","Metallo protease","Miscellaneous ion channel","Transient receptor potential cha
nnel","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 family 17A","ABCB subfamily","Lipid-like ligand receptor (family A GPCR)","Glycohormone receptor","Metallo protease MAE clan","Ca2
+ release-activated Ca2+ channel family","Metallo protease MAM clan","Nuclear hormone receptor subfamily 1 group I","Other protein kinase group","Nuclear hormone receptor subfamily 3 group C member 4"
,"Neuropeptide Y receptor","Nuclear hormone receptor subfamily 3 group C member 3","Cytochrome P450 17A1","Cannabinoid receptor","Metallo protease M34 family","Opioid receptor","Melanocortin receptor"
,"Metallo protease M10A subfamily","Tyrosine protein kinase EGFR family","Histamine receptor","Nuclear hormone receptor subfamily 1 group I member 2","Other protein kinase ULK family"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Nuclear hormone receptors","Cytochrome P450","Heat shock proteins","Kinases (EC 2.7.x.x)","Peptidases and proteinases","G protein-coupled recep
tors","1.13.11.- Dioxygenases","SLC superfamily of solute carriers","Catalytic receptors","1F. Retinoic acid-related orphans","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CA: Cystein
e (C) Peptidases","Neuropeptide S receptor","1H. Liver X receptor-like receptors",Adrenoceptors,"Acetylcholine receptors (muscarinic)","5-Hydroxytryptamine receptors","Tachykinin receptors","SLC6 neur
otransmitter transporter family","CYP1 family","Dopamine receptors","CYP2 family: drug metabolising subset","Adenosine receptors",CYP5,"CYP7 and CYP8 families","Receptor kinases","Mitogen-activated pr
otein kinases (MAP kinases)","C19: Ubiquitin-specific protease","Monoamine transporter subfamily","TK: Tyrosine kinase","ERK subfamily","Non-receptor tyrosine kinases (nRTKs)","Src family","Ion channe
ls","Acetylcholine turnover","ATP-binding cassette transporter family","3.2.1.- Glycosidases","Other ion channels","Sigma receptors","Voltage-gated ion channels","Steroid hormone receptors","Neuropept
ide Y receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","ABCB subfamily","Cannabinoid receptors","Glycoprotein hormone receptors","Opioid receptors","Store-operated ion channels","Melanocortin r
eceptors","MA: Metallo (M) Peptidases",CYP39,"CYP46 and CYP51 families","Histamine receptors","Transient Receptor Potential channels","1I. Vitamin D receptor-like receptors","3C. 3-Ketosteroid recepto
rs","Orai channels","M10: Matrix metallopeptidase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Unc-51-like kinase (ULK) family","Type I RTKs: ErbB (epidermal growth factor) receptor fa
mily"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Gene expression (Transcription)",Metabolism,"Cell Cycle","Neuronal System","Immune System",Disease,"DNA Repair","Signal Transduction","Cellular responses to 
stress","RNA Polymerase II Transcription","Metabolism of lipids",Mitotic,"Transmission across Chemical Synapses","Innate Immune System","Cell Cycle Checkpoints","Infectious disease","Base Excision Rep
air","Metabolism of carbohydrates","Metabolism of amino acids and derivatives","Signaling by GPCR","Disorders of transmembrane transporters","Biological oxidations","Cellular response to hypoxia","Gen
eric Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G2-G2/M phases","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor C
ascades","G1/S DNA Damage Checkpoints","Leishmania infection","M Phase","Resolution of Abasic Sites (AP sites)","Glucose metabolism","Tryptophan catabolism","Metabolism of steroids","GPCR ligand bindi
ng","SLC transporter disorders","Phase I - Functionalization of compounds","Neurotransmitter clearance","HIV Infection","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Tran
scriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","G2/M Transition","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","p53-Dependent G1/S D
NA damage checkpoint","Transcriptional Regulation by TP53","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Resolution of AP sites via 
the multiple-nucleotide patch replacement pathway",Gluconeogenesis,"Bile acid and bile salt metabolism","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A3 causes Parkinsonism-dystonia infantile 
(PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)","Cytochrome P450 - arranged by substrate type","Serotonin clearance from the synaptic cleft","Host Interactions of HIV factors","RUNX3 R
egulates Immune Response and Cell Migration","Biosynthesis of maresins","Centrosome maturation","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","p53-Dependent G1 DN
A Damage Response","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Regulation of MECP2 expression and activity","PCNA-Dependent L
ong Patch Base Excision Repair","Synthesis of bile acids and bile salts","Amine ligand-binding receptors","Peptide ligand-binding receptors",Xenobiotics,"Nucleotide-like (purinergic) receptors",Eicosa
noids,"The role of Nef in HIV-1 replication and disease pathogenesis","Biosynthesis of maresin-like SPMs","Loss of proteins required for interphase microtubule organization from the centrosome","Activ
ation of AMPK downstream of NMDARs","MAP kinase activation","Stabilization of p53","Regulation of TP53 Expression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","Nuclear En
velope (NE) Reassembly","Synthesis of bile acids and bile salts via 27-hydroxycholesterol",Adrenoceptors,"Muscarinic acetylcholine receptors","Serotonin receptors","Tachykinin receptors bind tachykini
ns","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Dopamine receptors","CYP2E1 reactions","Adenosine P1 receptors","Nef and signal transduction","Loss of Nlp from mitotic centroso
mes","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","Initiation of Nuclear Envelope (NE) Reformation","ERK/MA
PK targets","ERKs are inactivated",Hemostasis,"Developmental Biology","Transport of small molecules","Metabolism of proteins",Autophagy,"Diseases of metabolism","Platelet homeostasis","Nervous system 
development","Ion channel transport","Post-translational protein modification",Macroautophagy,"Phospholipid metabolism","GPCR downstream signalling","Diseases of carbohydrate metabolism","Uptake and a
ctions of bacterial toxins","Platelet calcium homeostasis","Axon guidance","SARS-CoV Infections","Stimuli-sensing channels",SUMOylation,"Selective autophagy","Transcriptional regulation by RUNX2","Gly
cerophospholipid biosynthesis","Metabolism of steroid hormones","G alpha (i) signalling events","Glycogen storage diseases","Ethanol oxidation","Uptake and function of anthrax toxins","Elevation of cy
tosolic Ca2+ levels","EPH-Ephrin signaling","G alpha (q) signalling events","Potential therapeutics for SARS","Semaphorin interactions","TRP channels","SUMO E3 ligases SUMOylate target proteins",Mitop
hagy,"RUNX2 regulates bone development","Synthesis of PC","Endogenous sterols","Androgen biosynthesis","Glycogen storage disease type II (GAA)","Opioid Signalling","MECP2 regulates neuronal receptors 
and channels","EPH-ephrin mediated repulsion of cells","Gastrin-CREB signalling pathway via PKC and MAPK","Sema4D in semaphorin signaling","SUMOylation of intracellular receptors","Receptor Mediated M
itophagy","RUNX2 regulates osteoblast differentiation","Sterols are 12-hydroxylated by CYP8B1","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","G-protein activation","EGFR Trans
activation by Gastrin","Sema4D induced cell migration and growth-cone collapse"}

> <broad_targets>
{}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{"1-(2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl)imidazole","1(2(4chlorobenzyloxy)2(2,4dichlorophenyl)ethyl)imidazole","Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-","Imidazo
le, 1(2,4dichlorobeta((pchlorobenzyl)oxy)phenethyl)",econazole,27220-47-9,27220479,Ecostatin,(+-)-Econazole,(+)Econazole,Spectazole,1-(2-((4-chlorophenyl)methoxy)-2-(2,1(2((4chlorophenyl)methoxy)2(2,4
-dichlorophenyl)et,4dichlorophenyl)et,T0444,Econazole}

> <pdid>
PD005536

> <targets>
{14-¦Á Demethylase,Antibiotic,Fungal}

> <classes>
{Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{3198}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  1  0            999 V2000
    1.8949   -4.8318    0.0000 O   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0  2  0  0  0
    3.1202   -2.0921    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
    1.2135    0.3943    0.0000 C   0  0  2  0  0  0
    2.6401    0.8578    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0  2  0  0  0
    0.0000    2.7760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -2.6401    0.8578    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  2  0
 10 12  1  0
  5 12  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11066

> <plate>
PLATE 002

> <well>
D6

> <supplier_cmpd_name>
Dicurone

> <ctcr_id>
10927

> <supplier_cmpd_id>
T0434

> <smiles>
O=C[C@H](O)[C@@H]1[C@H](O)[C@H](O)C(=O)O1

> <pd_targets>
{CTDSP1,DNMT1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Phosphatase,Writer,"Protein Phosphatase","DNA methyltransferase","Serine/threonine protein phosphatase"}

> <pathway_chembl>
{Enzymes,"2.1.1.- Methyltransferases"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of DNA methylation proteins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"D-Glucurono-3,6-lactone","DGlucurono3,6lactone",glucuronolactone,32449-92-6,32449926,GLUCUROLACTONE,"D-Glucurono-6,3-lactone","DGlucurono6,3lactone",Glucurone,"D-Glucuronic acid lactone","DGlucuroni
c acid lactone","Glucurono-6,3-lactone","Glucurono6,3lactone","d(+)-glucurono-3,6-lactone","d(+)glucurono3,6lactone",Glucuronosan,Dicurone,"D-Glucofuranuronic acid","DGlucofuranuronic acid",gamma-lact
on,gammalacton,T0434}

> <pdid>
PD013688

> <targets>
{Others,Endogenous Metabolite}

> <classes>
{Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{92283}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 10  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  5
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  5
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    8.8982   -0.7518    0.0000 Bi  0  1
    6.3982   -0.7518    0.0000 O   0  5
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
M  CHG  4   3  -1   6  -1  11   3  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11067

> <plate>
PLATE 002

> <well>
D7

> <supplier_cmpd_name>
Bismuth subsalicylat

> <ctcr_id>
10928

> <supplier_cmpd_id>
T0424

> <smiles>
O=C([O-])c1c([O-])cccc1.[Bi+3].[OH-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{s4032,Q81890,89262-EP2275420A1,89262EP2275420A1,89262-EP2305652A2,89262EP2305652A2,AB01568264_01,AB0156826401,AB01568264-01,"AB01568264 01",T0424,"Bismuth subsalicylat"}

> <pdid>

> <targets>
{COX-1,COX-2}

> <classes>
{Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{53629521}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  5  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11068

> <plate>
PLATE 002

> <well>
D8

> <supplier_cmpd_name>
Flopropione

> <ctcr_id>
6319

> <supplier_cmpd_id>
T0525

> <smiles>
CCC(=O)c1c(O)cc(O)cc1O

> <pd_targets>
{CYP3A4,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Cytochrome P450",Reader,"Cytochrome P450 family 3",Bromodomain,"Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{HTR1A}

> <broad_moa>
{"serotonin receptor antagonist"}

> <synonyms>
{2295-58-1,2295581,"2',4',6'-Trihydroxypropiophenone","2',4',6'Trihydroxypropiophenone",Phloropropiophenone,Cospanon,Phloropropionone,Propiophloroglucine,Flopropion,Argobyl,Chlonarin,Ecapron,Gasstenon
,Labroda,Labrodax,Supanate,Supazlun,1-(2,1(2,4,6-trihydroxyphenyl)propan-1-on,6trihydroxyphenyl)propan1on,T0525,1500629,Flopropione,FLOPROPIONE}

> <pdid>
PD001711

> <targets>
{5-HT Receptor,COMT}

> <classes>
{antispasmodic,GPCR/G Protein,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{3362}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.5205   -6.1100    0.0000 S   0  0
   -2.0570   -7.5366    0.0000 C   0  0
   -0.5570   -7.5366    0.0000 C   0  0
   -0.0934   -6.1100    0.0000 C   0  0
    8.9987   -1.1433    0.0000 O   0  0
    8.9987   -2.6433    0.0000 C   0  0  2  0  0  0
    7.6987   -3.3933    0.0000 C   0  0  1  0  0  0
    7.6987   -4.8933    0.0000 O   0  0
    6.3987   -2.6433    0.0000 C   0  0
    6.3987   -1.1433    0.0000 O   0  0
    5.0994   -3.3929    0.0000 O   0  0
   10.2987   -3.3933    0.0000 C   0  0
   10.2987   -4.8933    0.0000 O   0  0
   11.5980   -2.6437    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 10  2  0
 16 15  1  1
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 19 21  2  0
 16 22  1  0
 22 23  1  0
 22 24  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11069

> <plate>
PLATE 002

> <well>
D9

> <supplier_cmpd_name>
Pyrantel tartrate

> <ctcr_id>
1886

> <supplier_cmpd_id>
T0395

> <smiles>
CN1CCCN=C1\C=C\c2sccc2.O[C@H]([C@@H](O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW21,"PYRANTEL TARTRATE",33401-94-4,33401944,"Pyrantel tartrate salt","Pyrantel (+)-tartrate salt","Pyrantel (+)tartrate salt","Pyrantel (tartrate)",UNII-SC82VF0480,UNIISC82VF0480,SC82VF0480,"Pyre
quan tartrate",DSSTox_CID_28784,DSSToxCID28784,DSSTox-CID-28784,"DSSTox CID 28784",DSSTox_RID_83053,DSSToxRID83053,DSSTox-RID-83053,"DSSTox RID 83053",DSSTox_GSID_48858,DSSToxGSID48858,DSSTox-GSID-488
58,"DSSTox GSID 48858","Pyrantel hydrogen tartrate",Pyrantel,T0395,Prestw-212,"Pyrantel tartrate"}

> <pdid>

> <targets>
{Antibiotic,Parasite}

> <classes>
{Anti-infection}

> <pubchem_cids>
{6434144}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    9.2502   -0.6546    0.0000 Cl  0  0
   -6.5334   -1.6407    0.0000 O   0  0
   -5.3236   -0.7540    0.0000 C   0  0
   -5.3236    0.7390    0.0000 N   0  0
   -3.8909    1.2065    0.0000 C   0  0
   -3.0162    0.0000    0.0000 C   0  0
   -2.2621    1.2970    0.0000 C   0  0
   -0.7540    1.2970    0.0000 C   0  0
    0.0000    0.0000    0.0000 N   0  0
    1.5008   -0.0031    0.0000 C   0  0
    2.2493   -1.3039    0.0000 C   0  0
    3.7501   -1.3070    0.0000 C   0  0
    4.5002   -2.6060    0.0000 C   0  0
    6.0002   -2.6061    0.0000 C   0  0
    6.7502   -1.3070    0.0000 C   0  0
    6.0003   -0.0080    0.0000 C   0  0
    4.5003   -0.0080    0.0000 C   0  0
   -0.7540   -1.2970    0.0000 C   0  0
   -2.2621   -1.2970    0.0000 C   0  0
   -3.8909   -1.2065    0.0000 O   0  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  9 18  1  0
 18 19  1  0
 19  6  1  0
  6 20  1  0
 20  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11070

> <plate>
PLATE 002

> <well>
D10

> <supplier_cmpd_name>
Fenspiride hydrochloride

> <ctcr_id>
638

> <supplier_cmpd_id>
T0383

> <smiles>
Cl.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1

> <pd_targets>
{KMT2A,NFO,MAPT,LMNA,CYP2D6,CHRM1,TSHR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other cytosolic protein","Other nuclear protein","Membrane receptor",Reader,Hydrolase,"Cytochrome P450","Family A G protein-coupled receptor",Bromodomain,"Cytochrome P4
50 family 2","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cytochrome P450 family 2D","Monoamine receptor","Glycohormone receptor","Cytochrome P450 2D6","Acetylcholine 
receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Cytochrome P450","G protein-coupled receptors","2.1.1.43 Histone methyltransferases (HMTs)","CYP2 family: drug metabolising subset","Acetylcholine rec
eptors (muscarinic)","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System","Cell Cycle",Metabolism,"Signal Transduction",Disease,"RNA Polymerase II Transcription","Transmission across Chemical Synapses",Mitotic,"Biological
 oxidations","Signaling by GPCR","Infectious disease","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Phase I - Functionalization of compou
nds","GPCR ligand binding","Leishmania infection","Transcriptional regulation by RUNX1","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Cytochrome P450 - arran
ged by substrate type","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Post NM
DA receptor activation events","Mitotic Anaphase",Xenobiotics,"Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Activation of AMPK downstream of NM
DARs","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformat
ion"}

> <broad_targets>
{}

> <broad_moa>
{bronchodilator}

> <synonyms>
{"Fenspiride hydrochloride","Fenspiride HCl",5053-08-7,5053087,"Fenspiride (Hydrochloride)","JP 428",NDR-5998A,NDR5998A,NAT-333,NAT333,"8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro(4.5)decan-2-one hydrochlo
ride","8(2Phenylethyl)1oxa3,8diazaspiro(4.5)decan2one hydrochloride",UNII-832NBX878V,UNII832NBX878V,Decaspiride,"Fenspiride hydroch",T0383,1501021,Prestw-213,"FENSPIRIDE HYDROCHLORIDE"}

> <pdid>
PD009425

> <targets>
{}

> <classes>
{antiinflammatory,bronchodilator}

> <pubchem_cids>
{68626,118307188}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    7.5973   -3.3752    0.0000 H   0  3
    5.0973   -3.3752    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 S   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5950   -3.0008    0.0000 C   0  0
   -1.2942   -3.7494    0.0000 C   0  0
   -1.2911   -5.2502    0.0000 C   0  0
   -2.5901   -6.0004    0.0000 C   0  0
   -2.5900   -7.5004    0.0000 C   0  0
   -1.2910   -8.2503    0.0000 C   0  0
    0.0080   -7.5003    0.0000 C   0  0
    0.0080   -6.0003    0.0000 N   0  0
    1.3070   -5.2503    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 24 25  1  0
 16 26  1  0
 26  8  1  0
 26 27  2  0
 27  5  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11071

> <plate>
PLATE 002

> <well>
D11

> <supplier_cmpd_name>
Thioridazine hydrochloride

> <ctcr_id>
103

> <supplier_cmpd_id>
T0365

> <smiles>
[H+].[Cl-].CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1

> <pd_targets>
{GMNN,ALDH1A1,STAT6,MAPT,LMNA,KMT2A,PIM1,MEN1,NPSR1,CYP3A4,RORC,KDM4E,PMP22,NFO,FFP,MAPK1,TP53,RAD52,ADRA1A,HTR2A,DRD5,HTR7,DRD2,PDR5,KCNH2,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,HTT,ALB,CHRM2,SCN1A,SCN2A
,SCN3A,CHRM5,HTR2C,DRD4,REP,CHRM4,CACNA1C,HRH1,CHRM1,DRD3,HTR6,KCNJ6,HTR1A,CHRM3,HTR2B,ABCB11,HTR1B,HTR1D,HTR1F,SIGMAR1,DRD1,PSMA6,EGFR,CYP2C19,SLC6A3,HRH2,OPRK1,SLC6A2,CYP1A2,CYP2D6,SLC6A4,SCN5A,MTOR
,FYN,CACNA1D,CACNA1F,CACNA1S}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Transcription factor","Other cytosolic protein","Other nuclear protein","Epigenetic regulator","Membrane receptor",Transporter,"Ion channel","Secreted protein",Oxidored
uctase,Reader,Kinase,"Family A G protein-coupled receptor","Cytochrome P450","Nuclear receptor",Eraser,Hydrolase,Transferase,"Voltage-gated ion channel","Primary active transporter","Electrochemical t
ransporter",Bromodomain,"Protein Kinase","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Lysine demethylase","Small molecule receptor (family A GP
CR)","Potassium channels","Voltage-gated sodium channel","Voltage-gated calcium channel","ATP-binding cassette","Cytochrome P450 family 2","SLC superfamily of solute carriers","Cytochrome P450 family 
1","CAMK protein kinase group","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Jumonji domain-containing","CMGC protein kinase grou
p","Monoamine receptor","Voltage-gated potassium channel","Inwardly rectifying potassium channel","ABCB subfamily","TK protein kinase group","Cytochrome P450 family 2C","SLC06 neurotransmitter transpo
rter family","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Atypical protein kinase group","CAMK protein kinase PIM family","Neuropeptide receptor","Cytochrome P450 3A4","Nuclear hormone rec
eptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Adrenergic receptor","Dopamine receptor","Serotonin receptor","Acetylcholine receptor","Histamine receptor","Tyrosine protein kin
ase EGFR family","Cytochrome P450 2C19","Opioid receptor","Cytochrome P450 1A1","Cytochrome P450 2D6","Atypical protein kinase PIKK family","Tyrosine protein kinase Src family","CMGC protein kinase ER
K1","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"Ion channels",Transporters,"Transcription factors","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cytochrome P450","Nuc
lear hormone receptors","Voltage-gated ion channels","Anti-infective targets","ATP-binding cassette transporter family","Sigma receptors","Catalytic receptors","SLC superfamily of solute carriers","ST
AT transcription factors","2.1.1.43 Histone methyltransferases (HMTs)","CAMK: Calcium/calmodulin-dependent protein kinases","Neuropeptide S receptor","CYP3 family","1F. Retinoic acid-related orphans",
"1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Adrenoceptors,"Dopamine receptors","5-Hydroxytryptamine receptors","Potassium channels","Acetylcholine receptors (musca
rinic)","Viral protein targets","Voltage-gated calcium channels","Histamine receptors","ABCB subfamily","Receptor kinases","CYP2 family: drug metabolising subset","SLC6 neurotransmitter transporter fa
mily","Opioid receptors","CYP1 family","Voltage-gated sodium channels",Atypical,"PIM family","Mitogen-activated protein kinases (MAP kinases)","Voltage-gated potassium channels","Coronavirus (CoV) pro
teins","Inwardly rectifying potassium channels","TK: Tyrosine kinase","Monoamine transporter subfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","Receptor tyrosi
ne kinases (RTKs)","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Immune System","Neuronal System","Gene expression (Transcription)",Disease,"Developmental Biology","DNA Repair","Signal Transduction","Muscle contraction",Mitotic,"Biological
 oxidations","Innate Immune System","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Infect
ious disease","Metabolism of lipids","Nervous system development","Cell Cycle Checkpoints","DNA Double-Strand Break Repair","Signaling by GPCR","Cardiac conduction","Disorders of transmembrane transpo
rters","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compounds","Cytosolic sensors of pathogen-associated DNA","Neurotransmitter receptors and postsynaptic signal transmission
","M Phase","Generic Transcription Pathway","FLT3 signaling in disease","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","EGR2 and SOX10-mediated initiation of Schwan
n cell myelination","Toll-like Receptor Cascades","G1/S DNA Damage Checkpoints","Homology Directed Repair","GPCR ligand binding","Phase 3 - rapid repolarisation","Metabolism of steroids","SARS-CoV Inf
ections","Axon guidance","Regulation of mitotic cell cycle","GPCR downstream signalling","SLC transporter disorders","Neurotransmitter clearance","HIV Infection","G1/S Transition","Ethanol oxidation",
"STING mediated induction of host immune responses","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX1","Signaling by FLT3 ITD
 and TKD mutants","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5) Cascade","p53-Dependent G1/S DNA damag
e checkpoint","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by MECP2","Bile acid and bile salt metabo
lism","SARS-CoV-2 Infection","NCAM signaling for neurite out-growth","GABA receptor activation","Potential therapeutics for SARS","APC/C-mediated degradation of cell cycle proteins","G alpha (q) signa
lling events","Cytochrome P450 - arranged by substrate type","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)","Serotonin clearan
ce from the synaptic cleft","L1CAM interactions","Transcriptional Regulation by TP53","Host Interactions of HIV factors","Activation of the pre-replicative complex","STAT6-mediated induction of chemok
ines","Post NMDA receptor activation events","Mitotic Anaphase","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","STAT5 activation downstream of FLT3 ITD mutants
","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma membrane","p53
-Dependent G1 DNA Damage Response","HDR through Single Strand Annealing (SSA)","Amine ligand-binding receptors","Regulation of MECP2 expression and activity","Recycling of bile acids and salts","SARS-
CoV-2 Genome Replication and Transcription","NCAM1 interactions","GABA B receptor activation","Synthesis of bile acids and bile salts","Activation of APC/C and APC/C:Cdc20 mediated degradation of mito
tic proteins","Gastrin-CREB signalling pathway via PKC and MAPK",Xenobiotics,"MECP2 regulates neuronal receptors and channels","Interaction between L1 and Ankyrins","Regulation of TP53 Activity","The 
role of Nef in HIV-1 replication and disease pathogenesis","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosy
nthesis of maresin-like SPMs","MAP kinase activation","Stabilization of p53",Adrenoceptors,"Serotonin receptors","Dopamine receptors","Muscarinic acetylcholine receptors","Replication of the SARS-CoV-
2 genome","Histamine receptors","Activation of GABAB receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","APC/C:Cdc20 mediated degradation of mitotic proteins","EGFR Tran
sactivation by Gastrin","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Regulation of TP53 Expression and Degradation","Nef and signal transduction","Initiation 
of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","Inhibition  of voltage gated Ca2+ channels via Gbeta/gam
ma subunits","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","ERK/MAPK targets","Cdc20:Phospho-APC/C mediated
 degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
{DRD1,DRD2,DRD3,DRD4,DRD5,HRH1,HTR1A,HTR2A,HTR2C,HTR6,HTR7}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{RESTW7,"Thioridazine hydrochloride",130-61-0,130610,"Thioridazine Hcl","Sonapax hydrochloride","Thioridazine chloride","Mellaril hydrochloride",Thioridazine.HCl,Aldazine,"USAF SZ-B","USAF SZB","USAF 
SZ-3","USAF SZ3","Thioridazine (hydrochloride)","Thioridazine-d3 Hydrochloride","Thioridazined3 Hydrochloride",ML,T0365,SAM002564240,1500575,Prestw-78,CPD000058380,"THIORIDAZINE HYDROCHLORIDE"}

> <pdid>
PD009853

> <targets>
{5-HT Receptor,Apoptosis,Autophagy,Bacterial,Dopamine Receptor}

> <classes>
{antipsychotic,Anti-infection,Apoptosis,Autophagy,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{66062,657213}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 O   0  0
   -6.4971    0.7454    0.0000 C   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -9.0971    0.7409    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -11.6971    0.7364    0.0000 C   0  0
  -11.8298   -0.7450    0.0000 N   0  0
  -13.2959   -1.0620    0.0000 N   0  0
  -14.0504    0.2345    0.0000 N   0  0
  -13.0506    1.3527    0.0000 N   0  0
  -13.3590    2.8214    0.0000 C   0  0
  -12.3278    3.9034    0.0000 C   0  0
  -12.7516    5.3423    0.0000 C   0  0
  -14.2097    5.6947    0.0000 C   0  0
  -15.2438    4.6082    0.0000 C   0  0
  -14.8200    3.1693    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
  7 24  2  0
 24 25  1  0
 25 26  2  0
 26  5  1  0
 26 27  1  0
 27  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11072

> <plate>
PLATE 002

> <well>
E2

> <supplier_cmpd_name>
Cilostazol

> <ctcr_id>
882

> <supplier_cmpd_id>
T0462

> <smiles>
O=C1CCc2cc(OCCCCc3nnnn3C4CCCCC4)ccc2N1

> <pd_targets>
{LMNA,TSHR,MAPK1,THPO,CYP3A4,PMP22,NPSR1,PDE3A,NFO,CYP2C9,CYP1A2,PDE3B,KMT2A,MEN1,RORC,ALDH1A1,BLM,CACNA1C,CACNA1D,CACNA1F,CACNA1S,ABCC4}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor",Enzyme,"Unclassified protein","Epigenetic regulator","Transcription factor","Ion channel",Transporter,"Family A G protein-coupled receptor",Kinase,"Cytochr
ome P450",Phosphodiesterase,Hydrolase,Reader,"Nuclear receptor",Oxidoreductase,"Voltage-gated ion channel","Primary active transporter","Peptide receptor (family A GPCR)","Protein Kinase","Cytochrome 
P450 family 3","Phosphodiesterase 3","Cytochrome P450 family 2","Cytochrome P450 family 1",Bromodomain,"Nuclear hormone receptor subfamily 1","Voltage-gated calcium channel","ATP-binding cassette","Gl
ycohormone receptor","CMGC protein kinase group","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","Phosphodiesterase 3A","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Nu
clear hormone receptor subfamily 1 group F","Phosphodiesterase 3B","ABCC subfamily","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Neuropeptide receptor","Cytochrome P450 2C9","Cytochrome P4
50 1A1","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Cyclic nucleotide turnover/signalling","Nuclear hormone receptors","ATP-binding cassette transpo
rter family","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Neuropeptide S receptor",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","CYP2 family: 
drug metabolising subset","CYP1 family","1F. Retinoic acid-related orphans","ABCC subfamily","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Immune System",Hemostasis,Metabolism,"Developmental Biology","Signal Transduction","Gene expression (Transcription)","DNA Repair",Mitotic,"Infectious disease","Innate Immune Sys
tem","Platelet activation","signaling and aggregation","Metabolism of lipids","Nervous system development","Signaling by GPCR","Biological oxidations","RNA Polymerase II Transcription","Signaling by R
eceptor Tyrosine Kinases","DNA Double-Strand Break Repair","M Phase","Leishmania infection","Toll-like Receptor Cascades","Platelet Aggregation (Plug Formation)","Biosynthesis of specialized proresolv
ing mediators (SPMs)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR downstream signalling","Phase I - Functionalization of compounds","Generic Transcription Pathway","Signalin
g by Insulin receptor","Homology Directed Repair","Response to elevated platelet cytosolic Ca2+","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5)
 Cascade","Biosynthesis of DHA-derived SPMs","G alpha (s) signalling events","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX3","Insulin receptor signalling cascade",
"Ethanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Platelet degranulation","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite 
infection","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","IRS-mediated signalling","HDR through Homologous Re
combination (HRR)","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Aromatic
 amines can be N-hydroxylated or N-dealkylated by CYP1A2","PI3K Cascade","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events me
diated by MAP kinases","PKB-mediated events","Presynaptic phase of homologous DNA pairing and strand exchange","ERK/MAPK targets","PDE3B signalling","ERKs are inactivated"}

> <broad_targets>
{PDE3A,PDE3B}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{cilostazol,73963-72-1,73963721,Pletal,Cilostazole,Pletaal,OPC-13013,OPC13013,Cilostazolum,"Cilostazolum (INN-Latin)","Cilostazolum (INNLatin)","OPC 13013","OPC 21",OPC-21,OPC21,"6-(4-(1-cyclohexyltet
razol-5-yl)butoxy)-3,4-dihydro-1H-quinolin-2-one","6(4(1cyclohexyltetrazol5yl)butoxy)3,4dihydro1Hquinolin2one",C20H27N5O2,6-(4-(1-Cyclohexyl-1H-tetrazol-5-,6(4(1Cyclohexyl1Htetrazol5,T0462,1505230,Pre
stw-587,Cilostazol,CILOSTAZOL}

> <pdid>
PD000554

> <targets>
{Autophagy,Phosphodiesterase (PDE)}

> <classes>
{phosphodiesterase inhibitor,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{2754}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  4  1  0
 17 12  1  0
  2 18  1  0
 18 19  1  0
 18 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11073

> <plate>
PLATE 002

> <well>
E3

> <supplier_cmpd_name>
Promethazine

> <ctcr_id>
10929

> <supplier_cmpd_id>
T0445

> <smiles>
CC(CN1c2ccccc2Sc2ccccc12)N(C)C

> <pd_targets>
{ADRA1A,DRD2,HRH4,HRH1,FFP,SLC6A4,CALM,S,SLC22A1,PDR5,LMNA,ADRA1B,REP,HTT,CALM1,SCN1A,SCN2A,SCN3A,ALDH1A1,HTR2A,GMNN,BLM,PMP22,HIF1A,GFER,MAPT,CHRM3,ADRA1D,ADRA2B,DRD3,CHRM4,CRT,PRNP,MTOR,SLC6A2,HRH2,
HTR1A,HTR6,SIGMAR1,ADRA2A,CHRM2,HTR2C,ADRA2C,CHRM5,HTR2B,CHRM1,LPAR4,LPAR6,P2RX1,P2RX2,P2RX3,P2RX4,P2RX5,P2RX6,P2RX7,P2RY1,P2RY10,P2RY11,P2RY12,P2RY13,P2RY14,P2RY2,P2RY4,P2RY8,SCN10A,SCN11A,SCN4A,SCN5
A,SCN7A,SCN8A,SCN9A,KCNA1,KCNA10,KCNA2,KCNA3,KCNA4,KCNA5,KCNA6,KCNAB1,KCNAB2,KCNB1,KCNB2,KCNC1,KCNC2,KCNC3,KCNC4,KCND1,KCND2,KCND3,KCNE1,KCNE2,KCNE3,KCNE4,KCNE5,KCNF1,KCNG1,KCNG2,KCNG3,KCNG4,KCNH1,KCN
H2,KCNH3,KCNH4,KCNH5,KCNH6,KCNH7,KCNH8,KCNQ1,KCNQ2,KCNQ3,KCNQ4,KCNQ5,KCNS1,KCNS3,KCNV1,KCNV2,ALOX15,HSD17B10,CYP1A2,CYP2D6}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,Transporter,"Unclassified protein","Other nuclear protein","Ion channel","Transcription factor","Other cytosolic protein","Surface antigen","Family A G protein-coupled rece
ptor",Transferase,"Electrochemical transporter","Voltage-gated ion channel",Oxidoreductase,Kinase,"Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Voltage-gated sodium c
hannel","Protein Kinase","Monoamine receptor","SLC06 neurotransmitter transporter family","SLC22 family of organic cation and anion transporters","Atypical protein kinase group","Adrenergic receptor",
"Dopamine receptor","Histamine receptor","Serotonin receptor","Acetylcholine receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily","Cytochrome P450","Cytochrome P450
 family 1","Cytochrome P450 family 2","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Cytochrome P450 1A1","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,Transporters,"Other protein targets",Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Anti-infective targets","Kinases (EC 2.7.x.x)","Sigma receptors",Adrenocepto
rs,"Dopamine receptors","Histamine receptors","SLC6 neurotransmitter transporter family","Viral protein targets","SLC22 family of organic cation and anion transporters","5-Hydroxytryptamine receptors"
,"Acetylcholine receptors (muscarinic)",Atypical,"Monoamine transporter subfamily","Coronavirus (CoV) proteins","Organic cation transporters (OCT)","Phosphatidyl inositol 3' kinase-related kinases (PI
KK) family","FRAP subfamily","Eicosanoid turnover","Cytochrome P450",Lipoxygenases,"CYP1 family","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Neuronal System","Transport of small molecules","Cell Cycle","Gene expression (Transcription)",Metabolism,"DNA Repair","Developmental Biology","Cellular responses to ex
ternal stimuli","Protein localization","Signaling by GPCR","Infectious disease","Transmission across Chemical Synapses","SLC-mediated transmembrane transport",Mitotic,"RNA Polymerase II Transcription"
,"Biological oxidations","DNA Double-Strand Break Repair","Nervous system development","Cellular responses to stress","Mitochondrial protein import","Disorders of transmembrane transporters","GPCR lig
and binding","Leishmania infection","Neurotransmitter clearance","SARS-CoV Infections","Transport of bile salts and organic acids","metal ions and amine compounds","M Phase","Generic Transcription Pat
hway","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Mitotic G1 phase and G1/S transition","Homology Directed Repair","EGR2 and SOX10-med
iated initiation of Schwann cell myelination","Cellular response to hypoxia","Axon guidance","SLC transporter disorders","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival
","Serotonin clearance from the synaptic cleft","SARS-CoV-1 Infection","Organic cation/anion/zwitterion transport","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Activation of
 NMDA receptors and postsynaptic events","Ethanol oxidation","G1/S Transition","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Oxygen-dependent proline hydroxylation of 
Hypoxia-inducible Factor Alpha","NCAM signaling for neurite out-growth","Transcriptional Regulation by TP53","Defective SLC6A2 causes orthostatic intolerance (OI)","Potential therapeutics for SARS","A
mine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Translation of structural proteins","Organic cation transport","Mitotic Anaphase","SARS-CoV-1 Genom
e Replication and Transcription","Regulation of MECP2 expression and activity","Post NMDA receptor activation events","Activation of the pre-replicative complex","HDR through Homologous Recombination 
(HRR)","NCAM1 interactions","Regulation of TP53 Activity",Adrenoceptors,"Dopamine receptors","ADORA2B mediated anti-inflammatory cytokines production","Histamine receptors","Maturation of spike protei
n","Nuclear Envelope (NE) Reassembly","Replication of the SARS-CoV-1 genome","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Serotonin receptors","Homologous DNA Pa
iring and Strand Exchange","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformati
on","Ras activation upon Ca2+ influx through NMDA receptor","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Metabolism of lipids","Metabolism of ami
no acids and derivatives","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate
 type","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Biosynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{promethazine,Proazamine,60-87-7,60877,Promethazin,Diphergan,Isophenergan,Phenargan,Phensedyl,Promazinamide,Promezathine,Protazine,Diprazine,Diprozin,Fenetazina,Histargan,Prometazin,Prothazin,Provigan
,Thiergan,Vallergine,Avomine,Dimapp,Fargan,Fenazi,T0445,Promethazine}

> <pdid>
PD009828

> <targets>
{5-HT,mAChR,"Adrenergic Receptor",CAM,D2,"H1 receptor"}

> <classes>
{"GPCR/G Protein",Neuroscience,Immunology/Inflammation}

> <pubchem_cids>
{4927}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    6.5271   -5.6548    0.0000 O   0  0
    5.1017   -6.1219    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.6747   -6.1134    0.0000 C   0  0
    1.2525   -5.6365    0.0000 O   0  0
    3.1332   -7.5416    0.0000 N   0  0
    4.6332   -7.5468    0.0000 N   0  0
    5.5111   -8.7640    0.0000 C   0  0
    5.0018  -10.1696    0.0000 C   0  0
    5.9683  -11.3167    0.0000 C   0  0
    7.4450  -11.0533    0.0000 C   0  0
    7.9552   -9.6427    0.0000 C   0  0
    6.9887   -8.4956    0.0000 C   0  0
    2.2469   -8.7527    0.0000 C   0  0
    0.7527   -8.7026    0.0000 C   0  0
   -0.0396   -9.9763    0.0000 C   0  0
    0.6673  -11.2993    0.0000 C   0  0
    2.1665  -11.3486    0.0000 C   0  0
    2.9588  -10.0749    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  3 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17  2  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 16 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11074

> <plate>
PLATE 002

> <well>
E4

> <supplier_cmpd_name>
Sulfinpyrazone

> <ctcr_id>
6186

> <supplier_cmpd_id>
T0435

> <smiles>
O=C1C(CC[S](=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4

> <pd_targets>
{FPR1,HPGD,KDM4E,LMNA,FFP,ALOX12,CYP3A4,RORC,ABCB11,HSD17B10,SLC22A12,ALDH1A1,CYP2C9,MAPT,KMT2A,MEN1,TGR,NAPRT,ABCC2,ABCC1,NR1I2}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Epigenetic regulator","Other nuclear protein","Transcription factor",Transporter,"Other cytosolic protein","Family A G protein-coupled receptor",Eraser,Transferase,"Cytoch
rome P450","Nuclear receptor","Primary active transporter",Oxidoreductase,"Electrochemical transporter",Reader,Ligase,"Peptide receptor (family A GPCR)","Lysine demethylase","Cytochrome P450 family 3"
,"Nuclear hormone receptor subfamily 1","ATP-binding cassette","SLC superfamily of solute carriers","Cytochrome P450 family 2",Bromodomain,"N-formyl methionyl peptide receptor","Jumonji domain-contain
ing","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","ABCB subfamily","SLC22 family of organic cation and anion transporters","Cytochrome P450 family 2C","ABCC subfamily","N
uclear hormone receptor subfamily 1 group I","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group I member 2"
}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Cytochrome P450","Nuclear hormone receptors","ATP-binding cassette transporter family
","SLC superfamily of solute carriers","Formylpeptide receptors","Prostaglandin synthases","1.14.11.- Histone demethylases",Lipoxygenases,"CYP3 family","1F. Retinoic acid-related orphans","ABCB subfam
ily","SLC22 family of organic cation and anion transporters","CYP2 family: drug metabolising subset","ABCC subfamily","1I. Vitamin D receptor-like receptors","Urate transporter"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Cell Cycle","Gene expression (Transcription)","Transport of small molecules","Neuronal System",Disease,"Metabolism of proteins","Signaling by GPCR","Metabolism of li
pids",Mitotic,"RNA Polymerase II Transcription","Metabolism of amino acids and derivatives","SLC-mediated transmembrane transport","Biological oxidations","Transmission across Chemical Synapses","Meta
bolism of vitamins and cofactors","Disorders of transmembrane transporters","Post-translational protein modification","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)",
"M Phase","Generic Transcription Pathway","Metabolism of steroids","Branched-chain amino acid catabolism","Transport of bile salts and organic acids","metal ions and amine compounds","Phase I - Functi
onalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Metabolism of water-soluble vitamins and cofactors","ABC transporter disorders","Fatty acid metabolism",SUM
Oylation,"Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Biosynthesis of DPA-derived SPMs","Transcriptional regulation by RUNX3","Bile acid 
and bile salt metabolism","Organic cation/anion/zwitterion transport","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events","Nicotin
ate metabolism","Defective ABCC2 causes DJS","Arachidonic acid metabolism","SUMO E3 ligases SUMOylate target proteins","Peptide ligand-binding receptors","Biosynthesis of D-series resolvins","Mitotic 
Anaphase","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","Synthesis of bile acids and bile salts","Organic anion transport",Xenobiotics,"
Post NMDA receptor activation events","Nicotinamide salvaging","Synthesis of Leukotrienes (LT) and Eoxins (EX)","SUMOylation of intracellular receptors","Formyl peptide receptors bind formyl peptides 
and many other ligands","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived maresins","Biosynthesis of maresin-like SPMs","Synthesis of bile acids and bile salts via 7alpha-hydroxychole
sterol","CYP2E1 reactions","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ABCC1,FPR1,SLC22A12}

> <broad_moa>
{"uricosuric blocker"}

> <synonyms>
{sulfinpyrazone,57-96-5,57965,Sulphinpyrazone,(+/-)-SULFINPYRAZONE,(+/)SULFINPYRAZONE,Anturane,Sulfinpyrazon,Anturan,Diphenylpyrazone,Sulfoxyphenylpyrazolidine,Anturanil,Anturidin,Enturen,Anturano,"1,
2-Diphenyl-4-(2-(phenylsulfinyl)ethyl)pyrazolidine-3,5-dione","1,2Diphenyl4(2(phenylsulfinyl)ethyl)pyrazolidine3,5dione",Sulfinpy,T0435,SAM002554932,1500554,Prestw-290,Sulfinpyrazone,CPD000058991,SULF
INPYRAZONE}

> <pdid>
PD001742

> <targets>
{}

> <classes>
{uricosuric}

> <pubchem_cids>
{5342}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 F   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 N   0  0
   -1.2919   -9.7509    0.0000 C   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
    7.6990   -1.4991    0.0000 C   0  0
    7.6990   -2.9991    0.0000 S   0  0
    7.6990   -4.4991    0.0000 O   0  0
    6.3997   -3.7487    0.0000 O   0  0
    8.9983   -3.7487    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17  3  1  0
 17 11  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 18  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 26 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11075

> <plate>
PLATE 002

> <well>
E5

> <supplier_cmpd_name>
Pefloxacin Mesylate

> <ctcr_id>
4400

> <supplier_cmpd_id>
T0425

> <smiles>
CCN1C=C(C(O)=O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3.C[S](O)(=O)=O

> <pd_targets>
{KDM4E,SKA,ALDH1A1,KMT2A,MEN1,HPGD,PARC,GYRA,TOP2A,TOPA}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Kinase,Oxidoreductase,Reader,Isomerase,"Lysine demethylase",Bromodomain,"Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Eicosanoid turnover","DNA topoisomerases","1.14.11.- Histone demethylases","Prostaglandin synthases"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Biological oxidations","Metabolism of lipids",Mitotic,"Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G1 phase
 and G1/S transition","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","G0 and Early G1","Biosynthesis of D-series resolvins","Transcription of E2F targets under negative control by DREAM comple
x"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{"pefloxacin mesilate",CHEBI:50194,Perti,"Pefloxacin mesylate",70458-95-6,70458956,"Pefloxacin methanesulfonate","PEFLOXACINE MESYLATE","Pefloxacin (mesylate)",UNII-5IAD0UV3FH,UNII5IAD0UV3FH,"41 982 R
P","Pefloxacin mesylate (USAN)",5IAD0UV3FH,"Pefloxacinium mesylate",T0425,T0425L,SAM001246571,1505305,"Pefloxacin Mesylate","Pefloxacin Mesylate Dihydrate",CPD000387024}

> <pdid>
PD009999

> <targets>
{}

> <classes>
{antiproliferative,antibacterial}

> <pubchem_cids>
{24883450,119525}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  5  3  0  0  0  0            999 V2000
    5.1000    1.1254    0.0000 Cl  0  0
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 N   0  0
    2.5993    0.0004    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11076

> <plate>
PLATE 002

> <well>
E6

> <supplier_cmpd_name>
Guanidine hydrochloride

> <ctcr_id>
6539

> <supplier_cmpd_id>
T0415

> <smiles>
Cl.NC(N)=N

> <pd_targets>
{ALDH2,KCNA1,KCNA10,KCNA2,KCNA3,KCNA4,KCNA5,KCNA6,KCNA7,KCNB1,KCNB2,KCNC1,KCNC2,KCNC3,KCNC4,KCND1,KCND2,KCND3,KCNF1,KCNG1,KCNG2,KCNG3,KCNG4,KCNH1,KCNH2,KCNH3,KCNH4,KCNH5,KCNH6,KCNH7,KCNH8,KCNQ1,KCNQ2,
KCNQ3,KCNQ4,KCNQ5,KCNS1,KCNS2,KCNS3,KCNV1,KCNV2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Oxidoreductase,"Voltage-gated ion channel","Potassium channels","Voltage-gated potassium channel"}

> <pathway_chembl>
{Enzymes,"1.-.-.- Oxidoreductases"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter clearance","Serotonin clearance from the synaptic cleft","Metabolism of serotonin"}

> <broad_targets>
{ALDH2,DLG4,GAMT,RNASE1}

> <broad_moa>
{"HSP inhibitor"}

> <synonyms>
{AKOS026749889,"Guanidine hydrochloride",50-01-1,50011,"Guanidinium chloride","guanidine HCl","Guanidine, monohydrochloride","GUANIDINE MONOHYDROCHLORIDE","Aminoformamidine hydrochloride","Aminomethan
amidine hydrochloride","Guanidine (hydrochloride)",guani,T0415,S4070,"Guanidine HCl"}

> <pdid>
PD009973

> <targets>
{Others,Endogenous Metabolite}

> <classes>
{Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{22280438,5742,5460839,10855382}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 N   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  3  1  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11077

> <plate>
PLATE 002

> <well>
E7

> <supplier_cmpd_name>
Pipemidic acid

> <ctcr_id>
4953

> <supplier_cmpd_id>
T0396

> <smiles>
CCN1C=C(C(O)=O)C(=O)c2cnc(nc12)N3CCNCC3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{"8-ethyl-5-keto-2-piperazin-4-ium-1-yl-pyrido(2,3-d)pyrimidine-6-carboxylate","8ethyl5keto2piperazin4ium1ylpyrido(2,3d)pyrimidine6carboxylate",BPBio1_000786,BPBio1000786,BPBio1-000786,"BPBio1 000786"
,"pipemidic acid",51940-44-4,51940444,"Acido pipemidico","Acide pipemidique","Acidum pipemidicum",UNII-LT12J5HVR8,UNIILT12J5HVR8,LT12J5HVR8,MLS000028608,Deblaston,Pipedac,T0396,1502024,Prestw-897,"Pip
emidic acid","PIPEMIDIC ACID"}

> <pdid>
PD001425

> <targets>
{Antibiotic,Bacterial}

> <classes>
{antibacterial,Anti-infection}

> <pubchem_cids>
{6921791,4831}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
   -1.8778    2.7573    0.0000 C   0  0
   -1.0947    1.4779    0.0000 N   0  0
    0.0000    0.6568    0.0000 C   0  0
   -0.6568   -0.6386    0.0000 C   0  0
   -1.8063   -1.3319    0.0000 C   0  0
   -0.8393    0.0000    0.0000 C   0  0
    0.9488    0.0000    0.0000 C   0  0
    1.8975   -0.8028    0.0000 C   0  0
    1.6421    0.6933    0.0000 C   0  0
    2.6654   -2.0798    0.0000 O   0  0
    4.1661   -2.0555    0.0000 C   0  0
    4.8945   -0.7443    0.0000 O   0  0
    4.9382   -3.3425    0.0000 C   0  0
    4.2067   -4.6529    0.0000 C   0  0
    2.7069   -4.6756    0.0000 O   0  0
    6.4389   -3.3181    0.0000 C   0  0
    7.2125   -4.6033    0.0000 C   0  0
    8.7123   -4.5759    0.0000 C   0  0
    9.4385   -3.2634    0.0000 C   0  0
    8.6649   -1.9783    0.0000 C   0  0
    7.1652   -2.0056    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11078

> <plate>
PLATE 002

> <well>
E8

> <supplier_cmpd_name>
Atropine

> <ctcr_id>
7010

> <supplier_cmpd_id>
T0375

> <smiles>
CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3

> <pd_targets>
{CFTR,CHRM3,CHRM2,GPM3,CHRM4,CHRM1,CHRM5,MAPT,ACHE,ADRA2A,NACHRALPHA5,ADRA1D,HTR2C,SLC22A1,GLRA1,AMPC,LMNA,KDM4E,BLM,POLB}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor","Other ion channel","Family A G protein-coupled receptor","Chloride channel","Small molecule receptor (family A GPCR)","Cystic fibrosis transmembrane conductance reg
ulator","Monoamine receptor","Acetylcholine receptor","Other cytosolic protein",Enzyme,Transporter,Hydrolase,"Ligand-gated ion channel","Electrochemical transporter","Nicotinic acetylcholine receptor"
,"SLC superfamily of solute carriers","Glycine receptor","SLC22 family of organic cation and anion transporters","Adrenergic receptor","Serotonin receptor","Other nuclear protein","Epigenetic regulato
r",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{"Ion channels",Receptors,"Other ion channels","G protein-coupled receptors","Chloride channels","Acetylcholine receptors (muscarinic)",CFTR,Enzymes,Transporters,"Acetylcholine turnover","SLC superfam
ily of solute carriers","Ligand-gated ion channels",Adrenoceptors,"5-Hydroxytryptamine receptors","SLC22 family of organic cation and anion transporters","Glycine receptors","Organic cation transporte
rs (OCT)","Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Autophagy,"Signal Transduction",Macroautophagy,"Signaling by GPCR","Selective autophagy","GPCR ligand binding",Aggrephagy,"Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Musc
arinic acetylcholine receptors","Neuronal System",Metabolism,"Transport of small molecules","Transmission across Chemical Synapses","Metabolism of lipids","SLC-mediated transmembrane transport","Neuro
transmitter receptors and postsynaptic signal transmission","Phospholipid metabolism","Transport of bile salts and organic acids","metal ions and amine compounds","Activation of NMDA receptors and pos
tsynaptic events","Glycerophospholipid biosynthesis","Organic cation/anion/zwitterion transport","Post NMDA receptor activation events","Synthesis of PC","Organic cation transport","Activation of AMPK
 downstream of NMDARs",Adrenoceptors,"Serotonin receptors","Cell Cycle","DNA Repair",Mitotic,"DNA Double-Strand Break Repair","Base Excision Repair","M Phase","Homology Directed Repair","Resolution of
 Abasic Sites (AP sites)","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch repla
cement pathway","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","PCNA-Dependent Long Patch Base Excision Repair","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand E
xchange","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{ATROPINE,dl-Hyoscyamine,dlHyoscyamine,"dl Hyoscyamine","Tropine tropate",Atropin,Atropen,dl-Tropyltropate,dlTropyltropate,"dl Tropyltropate",Atropinol,Eyesules,Isopto-atropine,Isoptoatropine,"Isopto 
atropine","Troyl tropate",51-55-8,51558,"51 55",SAM002554885,CPD001906768}

> <pdid>
PD002296

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{174174}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -1.6193    3.9803    0.0000 C   0  0
   -0.1673    3.6256    0.0000 C   0  0
    0.8689    4.7101    0.0000 C   0  0
    0.4478    6.1498    0.0000 C   0  0
   -1.0096    6.5049    0.0000 C   0  0
   -2.0458    5.4204    0.0000 C   0  0
    1.4846    7.2349    0.0000 S   0  0
    1.0630    8.6745    0.0000 N   0  0
    2.9422    6.8807    0.0000 O   0  0
    2.5203    8.3200    0.0000 O   0  0
   -6.4444    1.8313    0.0000 C   0  0
   -7.0532    0.4604    0.0000 F   0  0
   -7.3276    3.0437    0.0000 F   0  0
   -7.9360    1.6729    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
 10 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11079

> <plate>
PLATE 002

> <well>
E9

> <supplier_cmpd_name>
Celecoxib

> <ctcr_id>
1124

> <supplier_cmpd_id>
T0466

> <smiles>
Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)[S](N)(=O)=O)C(F)(F)F

> <pd_targets>
{PTGS2,CA2,CA9,CA4,CA3,PTGS1,CA15,MTCA1,NCE103,LMNA,TSHR,CA1,CA7,PTGES,MT-CO2,CA14,CA12,CYP2C9,CA5A,CA6,CDC42,RAC1,CA13,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,MT-CO1,CA5B,
1272966,MTCA2,PGR,PDPK1,ALOX5,PDE5A,RAB2A,MAPK14,RAB7A,CYP3A4,EPHX2,ADRA2B,ADRB3,CACNA1C,SLC6A4,ADORA3,SLC6A2,SLC6A3,CYP2D6,CDH11}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor",Transporter,"Epigenetic regulator","Transcription factor","Ion channel",Oxidoreductase,Lyase,"Family A G protein-coupled receptor",Isomerase,"Primar
y active transporter","Cytochrome P450",Hydrolase,Eraser,Protease,"Nuclear receptor",Kinase,Phosphodiesterase,"Voltage-gated ion channel","Electrochemical transporter","Peptide receptor (family A GPCR
)","Oxidoreduction-driven transporters","Cytochrome P450 family 2","Histone deacetylase","Cysteine protease","Nuclear hormone receptor subfamily 3","Protein Kinase","Phosphodiesterase 5","Cytochrome P
450 family 3","Serine protease","Small molecule receptor (family A GPCR)","Voltage-gated calcium channel","SLC superfamily of solute carriers","Glycohormone receptor","Cytochrome P450 family 2C","HDAC
 class I","Cysteine protease CA clan","Nuclear hormone receptor subfamily 3 group C","AGC protein kinase group","Phosphodiesterase 5A","CMGC protein kinase group","Cytochrome P450 family 3A","Serine p
rotease SC clan","Monoamine receptor","SLC06 neurotransmitter transporter family","HDAC class IIb","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 family 2D","Cytochrome P450 2C9","Cystein
e protease C1A family","Nuclear hormone receptor subfamily 3 group C member 3","AGC protein kinase PDK1 subfamily","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Serine protease S33 family",
"Adrenergic receptor","Dopamine receptor","Adenosine receptor","Cytochrome P450 2D6","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels",Transporters,"Eicosanoid turnover","Carbonic anhydrases","G protein-coupled receptors","Cytochrome P450","Kinases (EC 2.7.x.x)","Cyclic nucleotide turnover/signalling
",Hydrolases,"Voltage-gated ion channels","Chromatin modifying enzymes","SLC superfamily of solute carriers",Cyclooxygenase,"Glycoprotein hormone receptors","Prostaglandin synthases","CYP2 family: dru
g metabolising subset","AGC: Containing PKA",PKG,"PKC families",Lipoxygenases,Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family",Adrenoce
ptors,"Voltage-gated calcium channels","3.5.1.- Histone deacetylases (HDACs)","Dopamine receptors","SLC6 neurotransmitter transporter family","Adenosine receptors","PDK1 family","Mitogen-activated pro
tein kinases (MAP kinases)","Monoamine transporter subfamily","p38 subfamily"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Cellular responses to external stimuli","Cell Cycle",Disease,"Immune System","Gene expression (Transcription)","Developmental Biology",Hemostasis,"Signal Tr
ansduction","Neuronal System","Metabolism of lipids","O2/CO2 exchange in erythrocytes","Cellular responses to stress","Reversible hydration of carbon dioxide",Mitotic,"Infectious disease","Cytokine Si
gnaling in Immune system","RNA Polymerase II Transcription","Biological oxidations","Nervous system development","Platelet homeostasis","Innate Immune System","Signaling by GPCR","Disorders of Develop
mental Biology","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Biosynthesis of specialized proresolving mediators (SPMs)","Erythrocytes take up carbon dioxide and r
elease oxygen","Cellular response to hypoxia","Fatty acid metabolism","M Phase","Leishmania infection","Signaling by Interleukins","Generic Transcription Pathway","Phase I - Functionalization of compo
unds","Axon guidance","Nitric oxide stimulates guanylate cyclase","Toll-like Receptor Cascades","Infection with Mycobacterium tuberculosis","GPCR ligand binding","Disorders of Nervous System Developme
nt","Neurotransmitter clearance","SLC transporter disorders","Biosynthesis of DPA-derived SPMs","Regulation of gene expression by Hypoxia-inducible Factor","Arachidonic acid metabolism","Mitotic Metap
hase and Anaphase","Leishmania parasite growth and survival","Interleukin-12 family signaling","Transcriptional Regulation by TP53","Cytochrome P450 - arranged by substrate type","Parasite infection",
"Semaphorin interactions","cGMP effects","Mitotic Prophase","Toll Like Receptor 5 (TLR5) Cascade","Response of Mtb to phagocytosis","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like recept
ors)","NCAM signaling for neurite out-growth","Pervasive developmental disorders","Serotonin clearance from the synaptic cleft","Transcriptional regulation by RUNX2","Defective SLC6A2 causes orthostat
ic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Mitotic Anaphase","Anti-i
nflammatory response favouring Leishmania parasite infection","Interleukin-12 signaling","TP53 Regulates Metabolic Genes",Xenobiotics,"Leishmania phagocytosis","Sema4D in semaphorin signaling","Regula
tion of TP53 Activity","Golgi Cisternae Pericentriolar Stack Reorganization","MyD88 cascade initiated on plasma membrane","Suppression of phagosomal maturation","Biosynthesis of maresins","Amine ligan
d-binding receptors","NCAM1 interactions","Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone development","Nucleotide-like (purinergic) receptors","Nuclear Envelope (NE) Reassembly","A
DORA2B mediated anti-inflammatory cytokines production","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","CYP2E1 reactions","FCGR3A-mediated phagocytosis","Sema4D m
ediated inhibition of cell attachment and migration","Regulation of TP53 Expression and Degradation","Biosynthesis of DPAn-3-derived 13-series resolvins","MAP kinase activation","Prevention of phagoso
mal-lysosomal fusion","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast differentiation","Adenosine P1 receptors","Initiation of 
Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{CA12,PDPK1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{"Celebrex (TN)",SMR000550473,CAS-169590-42-5,CAS169590425,SR-01000837528,SR01000837528,Celecoxibum,"Celecoxib (USAN:INN:BAN)","CCRIS 9330",TPI-336,TPI336,Celecoxib-(d4),Celecoxib(d4),"Onsenal (TN)",A
I-525,AI525,CEP-33222,CEP33222,CELEBCOXIB,544686-20-6,544686206,Spectrum_000432,Spectrum000432,Spectrum-000432,"Spectrum 000432",1oq5,Spectrum2_001576,Spectrum2001576,Spectrum2-001576,"Spectrum2 00157
6",Spec,T0466,719627,SAM002589995,1503678,Prestw-1371,"NSC 719627",Celecoxib,CPD000550473,CELECOXIB}

> <pdid>
PD000893

> <targets>
{}

> <classes>
{"COX-2 inhibitor","cyclooxygenase2 inhibitor",antiarthritic}

> <pubchem_cids>
{2662}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    7.5844   -1.4920    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 N   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -1.0157    5.5663    0.0000 Cl  0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23  8  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11080

> <plate>
PLATE 002

> <well>
E10

> <supplier_cmpd_name>
Clozapine

> <ctcr_id>
3976

> <supplier_cmpd_id>
T0455

> <smiles>
CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24

> <pd_targets>
{ADRA1A,ADRA1B,ADRA1D,DRD2,HTR1A,HTR2A,HTR2B,HTR2C,HTR6,HTR1B,LMNA,LEF,NET,MAPT,CYP2C19,HTR7,DRD3,DRD4,HRH4,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,ADRA2A,ADRA2B,ADRA2C,KCNH2,HTR3A,CYP3A4,HRH1,ADRB1,HTR1E,HTR1F
,HTR5A,DRD5,SIGMAR1,AOX1,CALM1,DRD1,CYP2C9,CYP2D6,CALM,NFKB1,PMP22,KMT2A,MEN1,BLM,HSD17B10,POLB,ADCY1,ADCY2,ADCY3,ADCY4,ADCY5,ADCY6,ADCY8,HTR1D,HRH3,CYP1A2,SLC6A4,H1-0,ABCB11,ALB,RORC,CYP2J2,IMPA1,HTR
3B,ADORA3,SLC6A2,TSHR,HTR3C,HTR3D,HTR3E,HRH2,CACNA1C,CACNA1D,CACNA1F,CACNA1S,KCNJ6,SLC6A3,OPRM1,CCK,GABRA1,CYSLTR1,GRIN1,ADRB2,OPRD1,OPRK1,TAC1,SCN10A,CCKBR,ARRB1,TBXA2R}

> <pathway_gtopdb>
{"Membrane receptor","Other nuclear protein",Enzyme,Transporter,"Other cytosolic protein","Ion channel","Unclassified protein","Epigenetic regulator","Secreted protein","Transcription factor","Family 
A G protein-coupled receptor",Protease,"Electrochemical transporter","Cytochrome P450","Voltage-gated ion channel","Ligand-gated ion channel",Oxidoreductase,Reader,Lyase,"Primary active transporter","
Nuclear receptor",Hydrolase,"Small molecule receptor (family A GPCR)","Metallo protease","SLC superfamily of solute carriers","Cytochrome P450 family 2","Potassium channels","5HT3 receptor","Cytochrom
e P450 family 3",Bromodomain,"Cytochrome P450 family 1","ATP-binding cassette","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Voltage-gated calcium channel","GABA-A recepto
r","Ionotropic glutamate receptor","Voltage-gated sodium channel","Monoamine receptor","Metallo protease MAE clan","SLC06 neurotransmitter transporter family","Cytochrome P450 family 2C","Voltage-gate
d potassium channel","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 family 1A","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F","Nucleotide-like receptor (fami
ly A GPCR)","Glycohormone receptor","Inwardly rectifying potassium channel","Short peptide receptor (family A GPCR)","Lipid-like ligand receptor (family A GPCR)","NMDA receptor","Adrenergic receptor",
"Dopamine receptor","Serotonin receptor","Metallo protease M34 family","Cytochrome P450 2C19","Histamine receptor","Acetylcholine receptor","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450
 2D6","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3","Adenosine receptor","Opioid receptor","Leukotriene receptor","Cholecystokinin receptor","Prostanoid receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Other protein targets",Transporters,"G protein-coupled receptors","Cytochrome P450","Voltage-gated ion channels","Ligand-gated ion channels","Sigma receptors","SLC s
uperfamily of solute carriers","ATP-binding cassette transporter family","Nuclear hormone receptors","Inositol phosphate turnover","Dopamine receptors","5-Hydroxytryptamine receptors",Adrenoceptors,"C
YP2 family: drug metabolising subset","Histamine receptors","Potassium channels","Acetylcholine receptors (muscarinic)","5-HT<sub>3</sub> receptors","CYP3 family","CYP1 family","SLC6 neurotransmitter 
transporter family","ABCB subfamily","1F. Retinoic acid-related orphans","Inositol monophosphatase","Adenosine receptors","Glycoprotein hormone receptors","Opioid receptors","GABA<sub>A</sub> receptor
s","Leukotriene receptors","Ionotropic glutamate receptors","Voltage-gated calcium channels","Voltage-gated sodium channels","Cholecystokinin receptors","Prostanoid receptors","Voltage-gated potassium
 channels","Monoamine transporter subfamily","Inwardly rectifying potassium channels"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Cell Cycle","Neuronal System",Metabolism,"Muscle contraction","Immune System","Developmental Biology","DNA Repair","Cellular responses to external stimuli","Gene expres
sion (Transcription)","Signaling by GPCR","Infectious disease",Mitotic,"Transmission across Chemical Synapses","Biological oxidations","Cardiac conduction","Metabolism of lipids","Metabolism of vitami
ns and cofactors","Cytokine Signaling in Immune system","Nervous system development","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives","Base Excision Repair","Cellular respo
nses to stress","RNA Polymerase II Transcription","Inositol phosphate metabolism","Disorders of transmembrane transporters","Diseases of signal transduction by growth factor receptors and second messe
ngers","GPCR ligand binding","Leishmania infection","M Phase","Uptake and actions of bacterial toxins","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of
 compounds","Phase 3 - rapid repolarisation","Biosynthesis of specialized proresolving mediators (SPMs)","SARS-CoV Infections","Metabolism of water-soluble vitamins and cofactors","Signaling by Interl
eukins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Branched-chain amino acid catabolism","Resolution of Abasic Sites (AP sites)","Neurotransmitter cle
arance","Cellular Senescence","Metabolism of steroids","Generic Transcription Pathway","Synthesis of IP2",IP,"and Ins in the cytosol","SLC transporter disorders","GPCR downstream signalling","Axon gui
dance","Oncogenic MAPK signaling","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","Activation 
of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Potential therapeutics for SARS","Vitamins B6 activation to pyridoxal phos
phate","Interleukin-1 family signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Se
rotonin clearance from the synaptic cleft","DNA Damage/Telomere Stress Induced Senescence","Bile acid and bile salt metabolism","Transcriptional regulation by RUNX3","Defective SLC6A2 causes orthostat
ic intolerance (OI)","GABA receptor activation","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","G alpha (i) signalling events","Transcriptional Regulation by MECP2","NCAM signaling 
for neurite out-growth","L1CAM interactions","G alpha (q) signalling events","Signaling by RAS mutants","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infec
tion","Mitotic Anaphase","Post NMDA receptor activation events",Xenobiotics,"Biosynthesis of maresins","Interleukin-1 signaling","HDR through Homologous Recombination (HRR)","PCNA-Dependent Long Patch
 Base Excision Repair","Formation of Senescence-Associated Heterochromatin Foci (SAHF)","Synthesis of bile acids and bile salts","Recycling of bile acids and salts","RUNX3 Regulates Immune Response an
d Cell Migration","Fatty acids","Nucleotide-like (purinergic) receptors","GABA B receptor activation","Opioid Signalling","Peptide ligand-binding receptors","MECP2 regulates neuronal receptors and cha
nnels","NCAM1 interactions","Interaction between L1 and Ankyrins","Gastrin-CREB signalling pathway via PKC and MAPK","Signaling downstream of RAS mutants","Eicosanoid ligand-binding receptors","Dopami
ne receptors","Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"Activation of AMPK downstream of NMDARs","CYP2E1 reactio
ns","Histamine receptors","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","MAP3K8 (TPL2)-dep
endent MAPK1/3 activation","Homologous DNA Pairing and Strand Exchange","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Synthesis of bile acids and bile salts via 7alpha-hydroxycho
lesterol","Adenosine P1 receptors","Activation of GABAB receptors","G-protein activation","LTC4-CYSLTR mediated IL4 production","Tachykinin receptors bind tachykinins","Prostanoid ligand receptors","I
nitiation of Nuclear Envelope (NE) Reformation","Ras activation upon Ca2+ influx through NMDA receptor","Presynaptic phase of homologous DNA pairing and strand exchange","Inhibition  of voltage gated 
Ca2+ channels via Gbeta/gamma subunits"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,CALY,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD1,DRD2,DRD3,DRD4,DRD5,HRH1,HRH4,HTR1A,HTR1B,HTR1D,HTR1E,HTR1F,HTR2A,HTR2B,HTR2C,HTR3A,HTR5A,HTR6,HTR7}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{5786-21-0,5786210,Leponex,Clozapin,CLOZARIL,Fazaclo,Clorazil,Iprox,Clozapina,Clozapinum,"HF 1854",HF-1854,HF1854,"8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine","8Chloro11(4methy
l1piperazinyl)5Hdibenzo(b,e)(1,4)diazepine",W-801,W801,8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo(b,8chloro11(4methylpiperazin1yl)5Hdibenzo(b,e)(1,4)diaz,T0455,S2459,SAM002548976,1500685,Prestw-3
50,Clozapine,CPD000058365,CLOZAPINE,Clozapine}

> <pdid>
PD001633

> <targets>
{"5-HT Receptor"}

> <classes>
{antipsychotic,"Neuronal Signaling"}

> <pubchem_cids>
{135398737}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    8.7524   -1.1250    0.0000 Cl  0  0
    5.4979    1.0528    0.0000 C   0  0
    6.2524   -0.2436    0.0000 C   0  0
    5.2526   -1.3618    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.0317    0.7359    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  7  1  0
 16 11  1  0
  5 17  1  0
 17  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11081

> <plate>
PLATE 002

> <well>
E11

> <supplier_cmpd_name>
Naphazoline hydrochloride

> <ctcr_id>
5249

> <supplier_cmpd_id>
T0446

> <smiles>
Cl.C1CN=C(Cc2cccc3ccccc23)N1

> <pd_targets>
{LMNA,ADRA1A,MAPK1,HTR7,ADRA2A,NISCH,MAPT,TAAR1,ADRA2B,ADRA2C,CYP2D6,ADRA1B,ADRA1D,TAAR4}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor",Enzyme,"Other cytosolic protein","Family A G protein-coupled receptor",Kinase,"Cytochrome P450","Small molecule receptor (family A GPCR)","Protein Kinase",
"Cytochrome P450 family 2","Monoamine receptor","CMGC protein kinase group","Cytochrome P450 family 2D","Adrenergic receptor","CMGC protein kinase MAPK family","Serotonin receptor","Trace amine recept
or","Cytochrome P450 2D6","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Cytochrome P450",Adrenoceptors,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors","Trace amine rec
eptor","CYP2 family: drug metabolising subset","Orphan and other 7TM receptors","Mitogen-activated protein kinases (MAP kinases)","Class A Orphans","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction","Immune System",Disease,"Neuronal System",Metabolism,Mitotic,"Signaling by GPCR","Innate Immune System","Infectious disease","Transmission across Chemical Synapses"
,"Biological oxidations","M Phase","GPCR ligand binding","Toll-like Receptor Cascades","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionaliza
tion of compounds","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Activation of NMDA receptors
 and postsynaptic events","Cytochrome P450 - arranged by substrate type","Mitotic Anaphase","Amine ligand-binding receptors","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response fa
vouring Leishmania parasite infection","Post NMDA receptor activation events",Xenobiotics,"Nuclear Envelope (NE) Reassembly",Adrenoceptors,"MAP kinase activation","ADORA2B mediated anti-inflammatory c
ytokines production","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK tar
gets","ERKs are inactivated"}

> <broad_targets>
{ADRA1A,ADRA2A}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{MCULE-8346078401,MCULE8346078401,"NAPHAZOLINE HYDROCHLORIDE",550-99-2,550992,"NAPHAZOLINE HCL",Albalon,"Albalon Liquifilm",Rhinantin,Rhinoperd,Stricylon,Naphcon,Niazol,Rinofug,Vasocon,Opcon,"Clera hy
drochloride","2-(1-Naphthylmethyl)-2-imidazoline hy","2(1Naphthylmethyl)2imidazoline hy",T0446,S2519,SAM002554916,1500424,Prestw-46,"Naphazoline hydrochloride","Naphazoline HCl",CPD000058292}

> <pdid>
PD009276

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"adrenergic agonist","nasal decongestant","Neuronal Signaling"}

> <pubchem_cids>
{43834266,11079,657295,43834388}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 11  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   10.3999   -1.5000    0.0000 O   0  0
   11.6992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11082

> <plate>
PLATE 002

> <well>
F2

> <supplier_cmpd_name>
Acexamic Acid

> <ctcr_id>
5265

> <supplier_cmpd_id>
T0436

> <smiles>
CC(=O)NCCCCCC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{GAST}

> <broad_moa>
{"5 alpha reductase inhibitor"}

> <synonyms>
{"6-Acetamidohexanoic acid","6Acetamidohexanoic acid","acexamic acid",57-08-9,57089,"6-(Acetylamino)hexanoic acid","6(Acetylamino)hexanoic acid","6-Acetamidocaproic acid","6Acetamidocaproic acid","Hex
anoic acid, 6-(acetylamino)-","Hexanoic acid, 6(acetylamino)",Plastenan,"Acetaminocaproic acid","Acide acexamique","AEAH (base)","CY 153",N-Acetyl-.epsilon.-a,NAcetyl.epsilon.a,T0436,1503045,"Acexamic
 Acid","ACEXAMIC ACID"}

> <pdid>
PD001097

> <targets>
{Others}

> <classes>
{wound healing agent,Others}

> <pubchem_cids>
{2005}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
   11.9385   -0.9158    0.0000 Br  0  5
   -2.5947    1.4660    0.0000 C   0  0
   -1.0947    1.4779    0.0000 N   0  3
   -0.4021    2.8084    0.0000 C   0  0
    0.0000    0.6568    0.0000 C   0  0
   -0.6568   -0.6386    0.0000 C   0  0
   -1.8063   -1.3319    0.0000 C   0  0
   -0.8393    0.0000    0.0000 C   0  0
    0.9488    0.0000    0.0000 C   0  0
    1.8975   -0.8028    0.0000 C   0  0
    1.6421    0.6933    0.0000 C   0  0
    2.6654   -2.0798    0.0000 O   0  0
    4.1661   -2.0555    0.0000 C   0  0
    4.8945   -0.7443    0.0000 O   0  0
    4.9382   -3.3425    0.0000 C   0  0
    4.2098   -4.6537    0.0000 O   0  0
    6.4389   -3.3181    0.0000 C   0  0
    7.2125   -4.6033    0.0000 C   0  0
    8.7123   -4.5759    0.0000 C   0  0
    9.4385   -3.2634    0.0000 C   0  0
    8.6649   -1.9783    0.0000 C   0  0
    7.1652   -2.0056    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  5  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11083

> <plate>
PLATE 002

> <well>
F3

> <supplier_cmpd_name>
Homatropine Methylbromide

> <ctcr_id>
6222

> <supplier_cmpd_id>
T0427

> <smiles>
[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)c3ccccc3

> <pd_targets>
{CHRM2,CHRM1,CHRM4,CHRM5,CHRM3}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM5}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"homatropine methylbromide","Omatropina metilbromuro","Homatropine methobromide",80-49-9,80499,"Methylhomatropine bromide","8-Methylhomatropinium bromide","8Methylhomatropinium bromide","Tropinium me
thobromide mandelate","Homatropini methylbromidum","Homatropine m",T0427,1500333,S4024,"Homatropine Methylbromide","HOMATROPINE METHYLBROMIDE"}

> <pdid>
PD006337

> <targets>
{AChR}

> <classes>
{"","anticholinergic (opthalmic)"}

> <pubchem_cids>
{6646}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 28  0  0  0  0            999 V2000
   25.7998    0.3750    0.0000 Ca  0  2
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0
    7.7999   -1.5000    0.0000 O   0  0
    9.0999    0.7500    0.0000 C   0  0
    9.0999    2.2500    0.0000 O   0  5
   10.3992    0.0004    0.0000 O   0  0
   12.9006    0.0004    0.0000 O   0  0
   14.1999    0.7500    0.0000 C   0  0
   15.4999    0.0000    0.0000 C   0  0
   15.4999   -1.5000    0.0000 O   0  0
   16.7999    0.7500    0.0000 C   0  0
   16.7999    2.2500    0.0000 O   0  0
   18.0999    0.0000    0.0000 C   0  0
   18.0999   -1.5000    0.0000 O   0  0
   19.3999    0.7500    0.0000 C   0  0
   19.3999    2.2500    0.0000 O   0  0
   20.6999    0.0000    0.0000 C   0  0
   20.6999   -1.5000    0.0000 O   0  0
   21.9999    0.7500    0.0000 C   0  0
   21.9999    2.2500    0.0000 O   0  5
   23.2991    0.0004    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  2  0
M  CHG  3   1   2  15  -1  30  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11084

> <plate>
PLATE 002

> <well>
F4

> <supplier_cmpd_name>
Sodium gluconate

> <ctcr_id>
2113

> <supplier_cmpd_id>
T0416

> <smiles>
[Ca++].OCC(O)C(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C(O)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"calcium heptonate","Calcium glucoheptonate","D-glycero-D-gulo-Heptonic acid, calcium salt (2:1)","DglyceroDguloHeptonic acid, calcium salt (2:1)","CALCIUM GLUCEPTATE","calcium;2,3,4,5,6,7-hexahydrox
yheptanoate","calcium;2,3,4,5,6,7hexahydroxyheptanoate",29039-00-7,29039007,"a-D-Glucoheptonic acid calcium salt","aDGlucoheptonic acid calcium salt",DB-043867,DB043867,FT-0623394,FT0623394,F,T0416,T0
411,S4311,"Sodium gluconate","Calcium gluconate","Calcium Gluceptate"}

> <pdid>
PD002528

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3665461,109291}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    4.8089   -4.6669    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  2  1  0
  4  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11085

> <plate>
PLATE 002

> <well>
F5

> <supplier_cmpd_name>
Edaravone

> <ctcr_id>
10930

> <supplier_cmpd_id>
T0407

> <smiles>
CC1=NN(C(=O)C1)C1=CC=CC=C1

> <pd_targets>
{ALDH1A1,RORC,KMT2A,MEN1,LEF,KDM4E,TSHR,CYP3A4,DNAB,RECA,GAA,MAPT,ALOX15,CYP1A2,PTGS2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Membrane receptor","Other cytosolic protein",Oxidoreductase,"Nuclear receptor",Reader,Protease,Eraser,"Family A G protein-coupled receptor","Cyto
chrome P450",Hydrolase,"Nuclear hormone receptor subfamily 1",Bromodomain,"Metallo protease","Lysine demethylase","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 
1","Nuclear hormone receptor subfamily 1 group F","Metallo protease MAE clan","Jumonji domain-containing","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Nuclear hormo
ne receptor subfamily 1 group F member 3","Metallo protease M34 family","Cytochrome P450 3A4","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Chromatin modifying enzymes","G protein-coupled receptors","Cytochrome P450","3.2.1.- Glycosidases","Eicosanoid turnover","1F. Retinoic acid-related orp
hans","2.1.1.43 Histone methyltransferases (HMTs)","1.14.11.- Histone demethylases","Glycoprotein hormone receptors","CYP3 family",Lipoxygenases,"CYP1 family",Cyclooxygenase}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)",Disease,"Neuronal System","Biological oxidations","RNA Polymerase II Transcription","Infectious disease","Metabolism of lipids","Diseases of metabolism","
Transmission across Chemical Synapses","Phase I - Functionalization of compounds","Generic Transcription Pathway","Uptake and actions of bacterial toxins","Leishmania infection","Biosynthesis of speci
alized proresolving mediators (SPMs)","Diseases of carbohydrate metabolism","Neurotransmitter receptors and postsynaptic signal transmission","Ethanol oxidation","Transcriptional regulation by RUNX3",
"Transcriptional regulation by RUNX1","Uptake and function of anthrax toxins","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Glycogen storage diseases","Activation of NM
DA receptors and postsynaptic events","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","RUNX3 Regulates Immune Response and Cell Migration","RUNX1 regulates genes invo
lved in megakaryocyte differentiation and platelet function","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","Glycogen storage disease type II (GAA)","P
ost NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Activation of AMPK downstr
eam of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{edaravone,89-25-8,89258,3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE,3METHYL1PHENYL2PYRAZOLIN5ONE,1-Phenyl-3-methyl-5-pyrazolone,1Phenyl3methyl5pyrazolone,Norphenazone,Radicut,MCI-186,MCI186,Methylphenylpyraz
olone,"Developer Z",Norantipyrine,Phenylmethylpyrazolone,"C.I. Developer 1","Phenyl methyl pyrazolone",3-Methyl-1-,3Methyl1,T0407,Edaravone}

> <pdid>
PD000969

> <targets>
{Free radical scavengers,Apoptosis,MMP}

> <classes>
{oxidation-reduction,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{4021}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    6.2990    1.8942    0.0000 H   0  3
    3.7990    1.8942    0.0000 Cl  0  5
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2121    3.8625    0.0000 N   0  0
    0.7463    5.2884    0.0000 C   0  0
   -0.7537    5.2860    0.0000 C   0  0
   -1.2149    3.8587    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
  5 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17  3  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11086

> <plate>
PLATE 002

> <well>
F6

> <supplier_cmpd_name>
Tetryzoline

> <ctcr_id>
2105

> <supplier_cmpd_id>
T0397

> <smiles>
[H+].[Cl-].C1CC(C2=NCCN2)c3ccccc3C1

> <pd_targets>
{AMPC,BLM,ADRA2A,ADRA2B,ADRA2C,ADRA1A,ADRA1B,ADRA1D,TAAR1,CYP2D6}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Hydrolase,"Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor","Trace amine receptor","Cytochrome P450
","Cytochrome P450 family 2","Cytochrome P450 family 2D","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Trace amine receptor",Adrenoceptors,Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{"DNA Repair",Disease,"Signal Transduction","DNA Double-Strand Break Repair","Infectious disease","Signaling by GPCR","Homology Directed Repair","Leishmania infection","GPCR ligand binding","HDR throu
gh Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR)","Anti-
inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production",A
drenoceptors,"Presynaptic phase of homologous DNA pairing and strand exchange",Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Cytochrome P450 - arranged by substrate ty
pe",Xenobiotics,"CYP2E1 reactions"}

> <broad_targets>
{}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{"Tetrahydrozoline hydrochloride",522-48-5,522485,"Tetrahydrozoline HCl","Tetryzoline hydrochloride",Tyzine,Visine,"Murine Plus",Vasopos,"Tyzanol hydrochloride","Tetrahydrozoline (hydrochloride)",MLS0
00069739,2-(1,2(1,2,3,4-Tetrahydr,4Tetrahydr,T0397,S4043,SAM002264650,1500567,Prestw-698,Tetryzoline,CPD000058219,"TETRAHYDROZOLINE HYDROCHLORIDE"}

> <pdid>
PD009236

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"adrenergic agonist","nasal decongestant","Neuronal Signaling"}

> <pubchem_cids>
{10648,657258,57506628}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 32  0  0  1  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4944    3.7531    0.0000 O   0  0
   -6.4922    5.2539    0.0000 C   0  0
   -5.1919    6.0016    0.0000 O   0  0
   -7.7905    6.0070    0.0000 C   0  0
   -7.7905    7.5070    0.0000 C   0  0
   -9.0895    8.2570    0.0000 C   0  0
  -10.3886    7.5071    0.0000 C   0  0
  -10.3886    6.0071    0.0000 C   0  0
   -9.0896    5.2570    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  1  0  0  0
    3.8900   -1.4008    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 11 21  2  0
 21 22  1  0
 22 23  2  0
 23  5  1  0
 23  9  1  0
  6 24  1  0
 24  2  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27  2  1  0
 27 28  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11087

> <plate>
PLATE 002

> <well>
F7

> <supplier_cmpd_name>
Estradiol benzoate

> <ctcr_id>
7539

> <supplier_cmpd_id>
T0384

> <smiles>
C[C@]12CCC3C(CCc4cc(OC(=O)c5ccccc5)ccc34)C1CC[C@H]2O

> <pd_targets>
{LMNA,PGR,AR,SHBG,SKA,ATM,ADORA3,SLC6A4,ESR1,NR3C1,ADRA2C,HTR2B,SLC6A2,FYN,ESR2}

> <pathway_gtopdb>
{"Other nuclear protein","Transcription factor","Secreted protein",Enzyme,"Membrane receptor",Transporter,"Nuclear receptor",Protease,Kinase,"Family A G protein-coupled receptor","Electrochemical tran
sporter","Nuclear hormone receptor subfamily 3","Cysteine protease","Protein Kinase","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 
3 group C","Cysteine protease CA clan","Atypical protein kinase group","Nucleotide-like receptor (family A GPCR)","SLC06 neurotransmitter transporter family","Nuclear hormone receptor subfamily 3 grou
p A","Monoamine receptor","TK protein kinase group","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","Cysteine protease C1A family","Atyp
ical protein kinase PIKK family","Adenosine receptor","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group C member 1","Adrenergic receptor","Serotonin r
eceptor","Tyrosine protein kinase Src family","Nuclear hormone receptor subfamily 3 group A member 2","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","G protein-coupled receptors","SLC superfamily of solute carriers","Catalytic receptors","Steroid hormone receptors",
Atypical,"Adenosine receptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"5-Hydroxytryptamine receptors","Receptor kinases","3C. 3-Ketosteroid receptors","Phosphatidyl inositol 3' kinas
e-related kinases (PIKK) family","Monoamine transporter subfamily","3A. Estrogen receptors","TK: Tyrosine kinase","Other PIKK family kinases","Non-receptor tyrosine kinases (nRTKs)","Src family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Signal Transduction","Neuronal System",Disease,Mitotic,"RNA Polymerase II Transcription","Cell Cycle Checkpoints","Signaling by GPCR","Transmission acr
oss Chemical Synapses","Disorders of transmembrane transporters","Infectious disease","Intracellular signaling by second messengers","M Phase","Generic Transcription Pathway","G1/S DNA Damage Checkpoi
nts","GPCR ligand binding","Neurotransmitter clearance","SLC transporter disorders","HIV Infection","PIP3 activates AKT signaling","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX2
","p53-Dependent G1/S DNA damage checkpoint","Class A/1 (Rhodopsin-like receptors)","Serotonin clearance from the synaptic cleft","Transcriptional regulation by RUNX1","FOXO-mediated transcription","D
efective SLC6A2 causes orthostatic intolerance (OI)","Host Interactions of HIV factors","Negative regulation of the PI3K/AKT network","Mitotic Anaphase","RUNX2 regulates bone development","p53-Depende
nt G1 DNA Damage Response","Nucleotide-like (purinergic) receptors","RUNX1 regulates estrogen receptor mediated transcription","FOXO-mediated transcription of oxidative stress","metabolic and neuronal
 genes","Amine ligand-binding receptors","The role of Nef in HIV-1 replication and disease pathogenesis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Nuclear Envelope (NE) Reassembly","RUNX2 regu
lates osteoblast differentiation","Stabilization of p53","Adenosine P1 receptors",Adrenoceptors,"Serotonin receptors","Nef and signal transduction","Initiation of Nuclear Envelope (NE) Reformation","A
utodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{ESR1}

> <broad_moa>
{"contraceptive agent"}

> <synonyms>
{"Estradiol Benzoate",T0384,S4110,"Estradiol benzoate"}

> <pdid>
PD001466

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{5748261}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 36  0  0  0  0            999 V2000
   -3.7146   -4.8930    0.0000 C   0  0
   -2.5902   -3.9002    0.0000 C   0  0
   -1.1671   -4.3770    0.0000 C   0  0
   -0.0420   -3.3837    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
    1.8372   -5.2877    0.0000 N   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    5.2295   -3.4020    0.0000 C   0  0
    6.3476   -4.4031    0.0000 C   0  0
    7.7740   -3.9362    0.0000 C   0  0
    8.8921   -4.9373    0.0000 C   0  0
   10.3429   -4.6098    0.0000 S   0  0
   11.0938   -5.9082    0.0000 C   0  0
   10.0910   -7.0237    0.0000 C   0  0
    8.7202   -6.4146    0.0000 C   0  0
    6.0423   -5.8725    0.0000 C   0  0
    4.6177   -6.3421    0.0000 O   0  0
    7.1609   -6.8718    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 O   0  0
   14.8938   -0.5126    0.0000 C   0  0
   14.8938   -2.0126    0.0000 S   0  0
   14.8938   -3.5126    0.0000 O   0  0
   13.5946   -2.7622    0.0000 O   0  0
   16.1931   -2.7622    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  2  0
 10 17  1  0
 17 18  1  0
 17 19  2  0
  8 20  1  0
 20  5  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
 28 29  1  0
 28 30  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 32 35  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11088

> <plate>
PLATE 002

> <well>
F8

> <supplier_cmpd_name>
Eprosartan Mesylate

> <ctcr_id>
4464

> <supplier_cmpd_id>
T2531

> <smiles>
CCCCc1ncc(C=C(Cc2sccc2)C(O)=O)n1Cc3ccc(cc3)C(O)=O.C[S](O)(=O)=O

> <pd_targets>
{AGTR1,AGTR1A,AGTR2,AGTR1B,ABCC2,ABCC3}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Family A G protein-coupled receptor","Primary active transporter","Peptide receptor (family A GPCR)","ATP-binding cassette","Short peptide receptor (family A GPCR)","
ABCC subfamily","Angiotensin receptor"}

> <pathway_chembl>
{Receptors,Transporters,"G protein-coupled receptors","ATP-binding cassette transporter family","Angiotensin receptors","ABCC subfamily"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Signaling by GPCR","Disorders of transmembrane transporters","Metabolism of lipids","GPCR ligand binding","ABC transporter disorders","Metabolism of steroids
","Class A/1 (Rhodopsin-like receptors)","Defective ABCC2 causes DJS","Bile acid and bile salt metabolism","Peptide ligand-binding receptors","Recycling of bile acids and salts"}

> <broad_targets>
{AGTR1}

> <broad_moa>
{"angiotensin receptor antagonist"}

> <synonyms>
{C24H28N2O7S2,HMS3652I14,AKOS032960713,O812,FT-0653173,FT0653173,S4102,"Eprosartan Mesylate"}

> <pdid>
PD009670

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{60878}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
   -5.5256   -1.6335    0.0000 O   0  0
   -4.0633   -1.9675    0.0000 C   0  0
   -3.6213   -3.4009    0.0000 C   0  0
   -2.1589   -3.7348    0.0000 C   0  0
   -1.1386   -2.6354    0.0000 C   0  0
   -1.5805   -1.2020    0.0000 C   0  0
   -3.0429   -0.8680    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 O   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.7920   -4.3744    0.0000 C   0  0
   -0.1952   -5.5038    0.0000 C   0  0
    0.2894   -6.9234    0.0000 C   0  0
    1.7610   -7.2136    0.0000 C   0  0
    2.2455   -8.6332    0.0000 O   0  0
    2.7482   -6.0842    0.0000 C   0  0
    2.2637   -4.6646    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  8  1  0
 17 12  1  0
  8 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11089

> <plate>
PLATE 002

> <well>
F9

> <supplier_cmpd_name>
Phenolphthalein

> <ctcr_id>
4585

> <supplier_cmpd_id>
T0017

> <smiles>
Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4

> <pd_targets>
{KMT2A,MEN1,GPR55,THYA,SLC12A5,TYMS,ALDH1A1,MAPT,LEF,ESR2,TSHR,HSD17B10,CYP3A4,ESR1,LMNA,ALOX15,GAA,TGR}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor",Enzyme,Transporter,"Other cytosolic protein","Transcription factor","Other nuclear protein",Reader,"Family A G protein-coupled receptor",Transferase,"Electr
ochemical transporter",Oxidoreductase,Protease,"Nuclear receptor","Cytochrome P450",Hydrolase,Bromodomain,"Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Metallo protea
se","Nuclear hormone receptor subfamily 3","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Lipid-like ligand receptor (family A GPCR)","SLC12 family of cation-coupled chloride transport
ers","Metallo protease MAE clan","Nuclear hormone receptor subfamily 3 group A","Glycohormone receptor","Cytochrome P450 family 3A","Lysophosphatidylinositol receptor","Metallo protease M34 family","N
uclear hormone receptor subfamily 3 group A member 2","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 3 group A member 1"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","2.1.1.- Methyltransferases","Nuclear hormone receptors","Cytochrome P450","Eicosanoid turnover","3.2
.1.- Glycosidases","Chromatin modifying enzymes","Orphan and other 7TM receptors","SLC12 family of cation-coupled chloride transporters","Steroid hormone receptors","Glycoprotein hormone receptors","C
YP3 family",Lipoxygenases,"2.1.1.43 Histone methyltransferases (HMTs)","Class A Orphans","3A. Estrogen receptors"}

> <pathway_reactome>
{"Signal Transduction","Transport of small molecules","Cell Cycle",Metabolism,"Neuronal System",Disease,"Gene expression (Transcription)","Signaling by GPCR","SLC-mediated transmembrane transport",Mit
otic,"Biological oxidations","Transmission across Chemical Synapses","Infectious disease","Intracellular signaling by second messengers","Metabolism of amino acids and derivatives","Metabolism of lipi
ds","RNA Polymerase II Transcription","Diseases of metabolism","GPCR downstream signalling","Transport of inorganic cations/anions and amino acids/oligopeptides","Mitotic G1 phase and G1/S transition"
,"Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Uptake and actions of bacterial toxins","PIP3 activates AKT signaling","Leishmania infect
ion","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","M Phase","Diseases of carbohydrate metabolism","G alpha (i) sig
nalling events","Cation-coupled Chloride cotransporters","G1/S Transition","Ethanol oxidation","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax toxins","Negative 
regulation of the PI3K/AKT network","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX1","Mitotic Metaphase and Anaphase","Biosynthesis of
 DPA-derived SPMs","Glycogen storage diseases","G1/S-Specific Transcription","Post NMDA receptor activation events",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Anti-inflammatory response favouri
ng Leishmania parasite infection","Biosynthesis of maresins","RUNX1 regulates estrogen receptor mediated transcription","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","Glycogen storage disease type 
II (GAA)","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines production","B
iosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{UGT1A9}

> <broad_moa>
{"indicator dye"}

> <synonyms>
{phenolphthalein,77-09-8,77098,Phthalimetten,Euchessina,Phthalin,Espotabs,Phenolax,Koprol,Laxogen,Trilax,Purga,Spulmako-lax,Spulmakolax,"Feen-A-Mint Gum","FeenAMint Gum",Purgen,"3,3-Bis(4-hydroxypheny
l)phthalide","3,3Bis(4hydroxyphenyl)phthalide","3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone","3,3Bis(4hydroxyphenyl)1(3H)isobenzofuranone",Alophen,Dox,T0017,1500480,Phenolphthalein,PHENOLPHTHALEIN
}

> <pdid>
PD001805

> <targets>
{Others}

> <classes>
{cathartic,Others}

> <pubchem_cids>
{4764}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 11  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10  2  1  0
 10  6  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11090

> <plate>
PLATE 002

> <well>
F10

> <supplier_cmpd_name>
Mercaptopurine

> <ctcr_id>
3739

> <supplier_cmpd_id>
T0010

> <smiles>
S=C1NC=Nc2nc[nH]c12

> <pd_targets>
{ALDH1A1,FFP,ALD,PNP}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,Transferase}

> <pathway_chembl>
{Enzymes,"2.4.2.1 Purine-nucleoside phosphorylase"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Metabolism of nucleotides","Phase I - Functionalization of compounds","Nucleobase catabolism","Ethanol oxidation","Purine catabolism"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW146,6-Mercaptopurine,6Mercaptopurine,mercaptopurine,50-44-2,50442,Purinethol,Mercapurin,6-Thiopurine,6Thiopurine,Leukerin,Leupurin,Mercaleukin,7H-purine-6-thiol,7Hpurine6thiol,6-Thioxopurine,6Th
ioxopurine,Puri-Nethol,PuriNethol,Ismipur,Mern,6-Thiohypoxanthine,6Thiohypoxanthine,6-Mercaptopurin,6Mercaptopurin,6-Purinethiol,6Purinethiol,Purimethol,Purinethiol,6-MP,6MP,1,755,NSC755,SAM002589937,
1500387,Prestw-1469,"NSC 755
NSC 755",Mercaptopurine,CPD000544948,MERCAPTOPURINE}

> <pdid>
PD001959

> <targets>
{}

> <classes>
{antineoplastic,Anti-metabolite,"purine antimetabolite"}

> <pubchem_cids>
{667490}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0092   -6.0025    0.0000 O   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4988    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11091

> <plate>
PLATE 002

> <well>
F11

> <supplier_cmpd_name>
Mephenesin

> <ctcr_id>
6601

> <supplier_cmpd_id>
T0015

> <smiles>
Cc1ccccc1OCC(O)CO

> <pd_targets>
{KDM4E}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"muscle relaxant"}

> <synonyms>
{mephenesin,59-47-2,59472,Cresoxydiol,Decontractyl,Memphenesin,Mephedan,Mephenesine,Anatensin,Cresodiol,Decontractil,Dioloxol,Lissenphan,Lissephen,Mefenesina,Mephelor,Mephesin,Myodetensin,Myodetensine
,Tolserol,Atensin,Curaril,Sinan,Kresoxypropandiol,C,T0015,1501140,Prestw-178,Mephenesin,MEPHENESIN}

> <pdid>
PD001502

> <targets>
{}

> <classes>
{"muscle relaxant (skeletal)"}

> <pubchem_cids>
{4059}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    8.1022    2.6072    0.0000 C   0  0
    7.3541    1.3071    0.0000 O   0  0
    5.8532    1.3040    0.0000 C   0  0
    5.1009    2.6017    0.0000 O   0  0
    5.1047    0.0031    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 F   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  8  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11092

> <plate>
PLATE 002

> <well>
G2

> <supplier_cmpd_name>
Flubendazole

> <ctcr_id>
10932

> <supplier_cmpd_id>
T0009

> <smiles>
COC(=O)Nc1nc2c([nH]1)cc(cc2)C(=O)c1ccc(F)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{TUBB}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{Flubendazole,31430-15-6,31430156,Flubendazol,Flumoxane,Fluvermal,Flubenol,"Methyl (5-(4-fluorobenzoyl)-1H-benzo(d)imidazol-2-yl)carbamate","Methyl (5(4fluorobenzoyl)1Hbenzo(d)imidazol2yl)carbamate",F
lubendazolum,"Methyl 5-(p-fluorobenzoyl)-2-benzimidazolecarbamate","Methyl 5(pfluorobenzoyl)2benzimidazolecarbamate","R 17,889",UNII-R8M46911LR,UNIIR8M46911LR,"Methyl (5-(4-flu","Methyl (5(4flu",T0009
}

> <pdid>

> <targets>
{microtubule}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{35802}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    8.9106   -2.2509    0.0000 Na  0  3
    6.4099   -1.1887    0.0000 O   0  0
    4.9183   -1.0302    0.0000 C   0  0
    4.1697    0.2696    0.0000 N   0  0
    2.7022   -0.0406    0.0000 C   0  0
    1.9481    0.6162    0.0000 O   0  0
    2.5987   -1.5006    0.0000 C   0  0
    3.9134   -2.1439    0.0000 N   0  5
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5956   -3.0018    0.0000 C   0  0
    3.8931   -3.7545    0.0000 C   0  0
    3.8899   -5.2545    0.0000 C   0  0
    2.5893   -6.0018    0.0000 C   0  0
    1.2919   -5.2491    0.0000 C   0  0
    1.2950   -3.7491    0.0000 C   0  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  7 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
M  CHG  2   1   1   8  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11093

> <plate>
PLATE 002

> <well>
G3

> <supplier_cmpd_name>
Phenytoin sodium

> <ctcr_id>
5183

> <supplier_cmpd_id>
T0008

> <smiles>
[Na+].O=C1NC(=O)C([N-]1)(c2ccccc2)c3ccccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"PHENYTOIN SODIUM",630-93-3,630933,"5,5-Diphenylhydantoin sodium salt","5,5Diphenylhydantoin sodium salt","Diphenylhydantoin Sodium",Antisacer,Diphentoin,Epanutin,Solantoin,Solantyl,Eptoin,"Sodium ph
enytoin","Diphenylan sodium","sodium 2,5-dioxo-4,4-diphenylimidazolidin-1-ide","sodium 2,5dioxo4,4diphenylimidazolidin1ide",S2524,SAM002548966,1500485,"Phenytoin sodium",CPD000146393}

> <pdid>

> <targets>
{"Sodium Channel"}

> <classes>
{antieleptic,anticonvulsant,"Transmembrane Transporters"}

> <pubchem_cids>
{657302,23679632,13241308}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 N   0  0
   -5.1996    1.4928    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 13 18  1  0
 18 19  2  0
 19 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11094

> <plate>
PLATE 002

> <well>
G4

> <supplier_cmpd_name>
Atenolol

> <ctcr_id>
920

> <supplier_cmpd_id>
T0007

> <smiles>
CC(C)NCC(O)COc1ccc(CC(N)=O)cc1

> <pd_targets>
{ADRB1,HTR1A,ADRA1A,ADRA1B,ADRA1D,ADRB2,LMNA,GLA,LEF,BLM,THPO,CHRM1,PMP22,TSHR,NFKB1,CYP3A4,CYP1A2,TDP1}

> <pathway_gtopdb>
{"Membrane receptor","Other nuclear protein","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor","Serotonin receptor",Enzyme,"Unc
lassified protein","Other cytosolic protein",Hydrolase,Protease,"Cytochrome P450","Metallo protease","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 1","Metallo p
rotease MAE clan","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Metallo protease M34 family","Acetylcholine receptor","Cytochrome P450 3A4","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors,"5-Hydroxytryptamine receptors",Enzymes,"Cytochrome P450","Acetylcholine receptors (muscarinic)","Glycoprotein hormone receptors","CYP3 family","
CYP1 family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Cell Cycle","Infectious disease","Signaling by GPCR",Mitotic,"Leishmania infection","GPCR ligand binding","M Phase","Leishmania parasite growth and survival","Class A/1
 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Mitotic Anaphase","ADORA2B mediated
 anti-inflammatory cytokines production","Serotonin receptors","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation",Metabolism,"DNA Repair",Hemostasis,"Developmental Bi
ology","Immune System","Metabolism of lipids","DNA Double-Strand Break Repair","Platelet activation","signaling and aggregation","Nervous system development","Cytokine Signaling in Immune system","Bio
logical oxidations","Sphingolipid metabolism","Uptake and actions of bacterial toxins","Homology Directed Repair","Platelet Aggregation (Plug Formation)","EGR2 and SOX10-mediated initiation of Schwann
 cell myelination","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Nonhomologous End-Joining (NHEJ)","Glycosphingoli
pid metabolism","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interleukin-1 family signaling","Biosynthesis of DHA-derived SPMs
","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HRR)","Interleukin-1 signaling","Biosynthesis of maresins",Xenobiotics,"Homologous DNA Pairing and Strand Exchan
ge","Muscarinic acetylcholine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Presynapti
c phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{atenolol,29122-68-7,29122687,Tenormin,Blokium,Normiten,Tenormine,Prenormine,Tenoblock,Atehexal,Betablok,Cuxanorm,Myocord,Selobloc,(RS)-Atenolol,(RS)Atenolol,Duraatenolol,Antipressan,Atcardil,Atenbloc
k,Betacard,Corotenol,Evitocor,Farnormin,Internolol,Normalol,Premo,T0007,SAM002564193,1501127,Atenolol,CPD000036768,ATENOLOL}

> <pdid>
PD001885

> <targets>
{}

> <classes>
{"beta adrenergic blocker"}

> <pubchem_cids>
{2249}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 22  0  0  0  0            999 V2000
   13.8982    2.6248    0.0000 O   0  0
   11.3982    2.6248    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -3.8971    5.2500    0.0000 C   0  0
   -2.5981    6.0000    0.0000 C   0  0
   -2.5950    7.5008    0.0000 N   0  3
   -1.2949    8.2490    0.0000 C   0  0
   -3.8928    8.2531    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 S   0  0
    8.8982    2.6248    0.0000 O   0  0
    6.3982    2.6248    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 17 19  1  0
 16 20  1  0
 20 21  2  0
 21 13  1  0
 21 22  1  0
 22  8  1  0
M  CHG  2   2  -1  17   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11095

> <plate>
PLATE 002

> <well>
G5

> <supplier_cmpd_name>
Methylene Blue trihydrate

> <ctcr_id>
10934

> <supplier_cmpd_id>
T0006

> <smiles>
O.[Cl-].CN(C)c1cc2c(cc1)nc1ccc(=[N+](C)C)cc1s2.O.O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ACHE}

> <broad_moa>
{"guanylyl cyclase inhibitor","nitric oxide production inhibitor"}

> <synonyms>
{"Methylene Blue trihydrate",7220-79-3,7220793,"Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride, trihydrate","Phenothiazin5ium, 3,7bis(dimethylamino), chloride, trihydrate","Methylthionine chlor
ide","C.I. 52015","3,7-Bis(dimethylamino)phenothiazin-5-ium chloride trihydrate","3,7Bis(dimethylamino)phenothiazin5ium chloride trihydrate","7220-79-3 (hdyrate","7220793 (hdyrate",T0006}

> <pdid>

> <targets>
{"Tau aggregation"}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{104827}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 16  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.1992    0.0004    0.0000 C   0  0
   14.1971   -0.3746    0.0000 O   0  0
   12.8980    0.3754    0.0000 C   0  0
   12.8980    1.8754    0.0000 C   0  0
   11.5990    2.6254    0.0000 C   0  0
   10.2999    1.8754    0.0000 C   0  0
    9.0009    2.6254    0.0000 O   0  0
   10.2999    0.3754    0.0000 C   0  0
   11.5990   -0.3746    0.0000 C   0  0
    9.0002   -0.3750    0.0000 S   0  0
    9.0007   -1.8750    0.0000 O   0  0
    7.7007    0.3742    0.0000 O   0  0
    7.7015   -1.1256    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
 12 14  1  0
 14 15  1  0
 14 16  2  0
 14 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11096

> <plate>
PLATE 002

> <well>
G6

> <supplier_cmpd_name>
Etamsylate

> <ctcr_id>
5449

> <supplier_cmpd_id>
T0002

> <smiles>
CCNCC.Oc1ccc(O)c(c1)[S](O)(=O)=O

> <pd_targets>
{LMNA,HSD17B10,HIF1A,HPGD}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Transcription factor",Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Prostaglandin synthases"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Cellular responses to external stimuli",Mitotic,"Metabolism of amino acids and derivatives","Cellular responses to stress","Metabolism of lipids","M Phase","Branched-chain am
ino acid catabolism","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-indu
cible Factor Alpha","Biosynthesis of DHA-derived SPMs","Mitotic Anaphase","Biosynthesis of D-series resolvins","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"hemostatic agent"}

> <synonyms>
{RESTW101,Etamsylate,ETHAMSYLATE,2624-44-4,2624444,UNII-24YL531VOH,UNII24YL531VOH,"MD 141","Benzenesulfonic acid, 2,5-dihydroxy-, compd. with N-ethylethanamine (1:1)","Benzenesulfonic acid, 2,5dihydro
xy, compd. with Nethylethanamine (1:1)","Ethamsylate (USAN)","diethylamine 2,5-dihydroxybenzenesulfonate","diethylamine 2,5dihydroxybenzenesulfonate","E 141",Cyclonamine,Aglumin,24YL531VOH,Alto,T0002,
S4152,Prestw-1015,Ethamsylate}

> <pdid>
PD013182

> <targets>
{Prostaglandin Receptor}

> <classes>
{GPCR/G Protein}

> <pubchem_cids>
{17506}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17  6  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  5
    1.3000    0.7500    0.0000 N   0  0
    3.8007    0.0004    0.0000 C   0  5
    5.1000    0.7500    0.0000 N   0  0
    7.6007    0.0004    0.0000 C   0  5
    8.9000    0.7500    0.0000 N   0  0
   11.4007    0.0004    0.0000 C   0  5
   12.7000    0.7500    0.0000 N   0  0
   15.2007    0.0004    0.0000 C   0  5
   16.4999    0.7500    0.0000 N   0  0
   19.0007    0.0004    0.0000 N   0  5
   20.2999    0.7500    0.0000 O   0  0
   32.7999    0.3750    0.0000 O   0  0
   30.2999    0.3750    0.0000 O   0  0
   27.7999    0.3750    0.0000 Na  0  3
   25.2999    0.3750    0.0000 Na  0  3
   22.7999    0.3750    0.0000 Fe  0  0
  1  2  3  0
  3  4  3  0
  5  6  3  0
  7  8  3  0
  9 10  3  0
 11 12  2  0
M  CHG  8   1  -1   3  -1   5  -1   7  -1   9  -1  11  -1  15   1  16   1
M  CHG  1  17   4
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11097

> <plate>
PLATE 002

> <well>
G7

> <supplier_cmpd_name>
Sodium Nitroprusside

> <ctcr_id>
3798

> <supplier_cmpd_id>
T0003

> <smiles>
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.O.O.[Na+].[Na+].[Fe+4]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"sodium nitroprusside",13755-38-9,13755389,MFCD00149192,"Sodium nitroferricyanide(III) dihydrate","Sodium pentacyanonitrosylferrate(III) dihydrate",DSSTox_CID_21126,DSSToxCID21126,DSSTox-CID-21126,"D
SSTox CID 21126",DSSTox_RID_79630,DSSToxRID79630,DSSTox-RID-79630,"DSSTox RID 79630",DSSTox_GSID_41126,DSSToxGSID41126,DSSTox-GSID-41126,"DSSTox GSID 41126","disodium;iron(4+);nitroxyl anion;pentacy",
T0003,1300037,"Sodium Nitroprusside","SODIUM NITROPRUSSIDE"}

> <pdid>

> <targets>
{}

> <classes>
{antihypertensive}

> <pubchem_cids>
{11953895}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  7  0  0  0  0            999 V2000
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  5
    5.2000    0.0000    0.0000 C   0  0
    6.4992    0.7496    0.0000 O   0  0
    5.2000   -1.5000    0.0000 O   0  5
    9.0000    0.3750    0.0000 Fe  0  2
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  1  6  1  0
  6  7  2  0
  6  8  1  0
M  CHG  3   5  -1   8  -1   9   2
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11098

> <plate>
PLATE 002

> <well>
G8

> <supplier_cmpd_name>
Ferrous fumarate

> <ctcr_id>
10935

> <supplier_cmpd_id>
T0001

> <smiles>
C(=C/C(=O)[O-])\C(=O)[O-].[Fe+2]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ferrous fumarate","Iron(II) fumarate",141-01-5,141015,"Iron(2+) fumarate",ferrousfumarate,UNII-R5L488RY0Q,UNIIR5L488RY0Q,Feostat,"Iron fumarate",R5L488RY0Q,Fersamal,Palafer,Galfer,Ircon,(E)-but-2-en
edioate;iron(2+),(E)but2enedioate;iron(2+),Ercoferro,Feroton,Ferrofume,Ferronat,Ferro,T0001}

> <pdid>
PD055146

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{6433164}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.1996   -1.4928    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11099

> <plate>
PLATE 002

> <well>
G9

> <supplier_cmpd_name>
Aspirin

> <ctcr_id>
6711

> <supplier_cmpd_id>
T0005

> <smiles>
CC(=O)Oc1ccccc1C(O)=O

> <pd_targets>
{GGT1,PTGS2,PTGS1,TSHR,HPGD,HSD17B10,CDC42,RAB7A,ASIC3,NAPRT,KDM4E,LEF,CHRM1,RAB2A,BLM,ALDH1A1,RAC1,ITGA2B,ITGB3,AKR1C1,PRKAA1,PRKAA2,PRKAB1,PRKAB2,PRKAG1,PRKAG2,PRKAG3,EDNRA,TP53,HSPA5,RPS6KA3,NFKBIA
,TNFAIP6,CASP1,CASP3,CCND1,MYC,PCNA}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel","Epigenetic regulator","Transcription factor","Unclassified protein","Other cytosolic protein","Other nuclear protein",Oxidoreductase,"Family A G protein-coup
led receptor",Hydrolase,"Ligand-gated ion channel",Ligase,Eraser,Protease,Kinase,"Peptide receptor (family A GPCR)","Acid-sensing ion channel","Lysine demethylase","Metallo protease","Small molecule r
eceptor (family A GPCR)","Protein Kinase","Cysteine protease","Glycohormone receptor","Jumonji domain-containing","Metallo protease MAE clan","Monoamine receptor","CAMK protein kinase group","Short pe
ptide receptor (family A GPCR)","AGC protein kinase group","Cysteine protease CD clan","Metallo protease M34 family","Acetylcholine receptor","CAMK protein kinase CAMK1 family","Endothelin receptor","
AGC protein kinase RSK family","Cysteine protease C14 family","CAMK protein kinase AMPK subfamily","AGC protein kinase RSK subfamily","Cysteine protease C14A subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Eicosanoid turnover","G protein-coupled receptors","Ligand-gated ion channels","Chromatin modifying enzymes","Catalytic receptors","Kinases (EC 2.7.x.x)","Peptidases
 and proteinases",Cyclooxygenase,"Glycoprotein hormone receptors","Prostaglandin synthases","Acid-sensing (proton-gated) ion channels (ASICs)","1.14.11.- Histone demethylases","Acetylcholine receptors
 (muscarinic)",Integrins,"Endothelin receptors","AGC: Containing PKA",PKG,"PKC families","CD: Cysteine (C) Peptidases","RSK family","C14: Caspase","RSK subfamily"}

> <pathway_reactome>
{Disease,Metabolism,"Transport of small molecules","Signal Transduction","Cell Cycle","DNA Repair","Developmental Biology","Cellular responses to external stimuli","Immune System","Gene expression (Tr
anscription)","Programmed Cell Death","Infectious disease","Metabolism of lipids","Metabolism of amino acids and derivatives","Ion channel transport","Metabolism of vitamins and cofactors","Signaling 
by GPCR",Mitotic,"DNA Double-Strand Break Repair","Biological oxidations","Nervous system development","Cell Cycle Checkpoints","Cellular responses to stress","Innate Immune System","RNA Polymerase II
 Transcription",Apoptosis,"Chromosome Maintenance","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism","Branched-chain amino acid catabolism","In
fection with Mycobacterium tuberculosis","Stimuli-sensing channels","Metabolism of water-soluble vitamins and cofactors","Uptake and actions of bacterial toxins","GPCR ligand binding","M Phase","Homol
ogy Directed Repair","Phase I - Functionalization of compounds","Axon guidance","Metabolism of steroids","G1/S DNA Damage Checkpoints","Cellular response to heat stress","Toll-like Receptor Cascades",
"Neutrophil degranulation","Generic Transcription Pathway","Intrinsic Pathway for Apoptosis","Mitotic G1 phase and G1/S transition","Telomere Maintenance","Leishmania parasite growth and survival","Bi
osynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Biosynthesis of DHA-derived SPMs","Parasite infection","Response of Mtb to phagocytosis","Nicotinate metabolism","Uptake and function of 
anthrax toxins","Class A/1 (Rhodopsin-like receptors)","Mitotic Prophase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation","Semaphorin interactions","B
ile acid and bile salt metabolism","p53-Dependent G1/S DNA damage checkpoint","Regulation of HSF1-mediated heat shock response","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by TP5
3","Apoptotic factor-mediated response","G1 Phase","G0 and Early G1","Extension of Telomeres","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","Synthe
sis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of D-series resolvins","Leishmania phagocytosis","Suppression of phagosomal maturation","Nicotinamide salvaging","Amine ligand-binding r
eceptors","Golgi Cisternae Pericentriolar Stack Reorganization","HDR through Homologous Recombination (HRR)","Sema4D in semaphorin signaling","Synthesis of bile acids and bile salts","Peptide ligand-b
inding receptors","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane","TP53 Regulates Transcription of Cell Death Genes","Cytochrome c-mediated apoptotic response","Cyc
lin D associated events in G1","Transcription of E2F targets under negative control by DREAM complex","Telomere C-strand (Lagging Strand) Synthesis","LTC4-CYSLTR mediated IL4 production","ADORA2B medi
ated anti-inflammatory cytokines production","FCGR3A-mediated phagocytosis","Prevention of phagosomal-lysosomal fusion","Muscarinic acetylcholine receptors","Homologous DNA Pairing and Strand Exchange
","Sema4D mediated inhibition of cell attachment and migration","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Stabilization of p53","MAP kinase activation","TAK1 activates NFkB b
y phosphorylation and activation of IKKs complex","TP53 Regulates Transcription of Caspase Activators and Caspases","Activation of caspases through apoptosome-mediated cleavage","Processive synthesis 
on the C-strand of the telomere","Presynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinas
es","Removal of the Flap Intermediate from the C-strand","CREB phosphorylation"}

> <broad_targets>
{AKR1C1,ASIC3,EDNRA,HSPA5,IKBKB,NFKB1,NFKB2,NFKBIA,PRKAA1,PRKAA2,PRKAB1,PRKAB2,PRKAG1,PRKAG2,PRKAG3,PTGS1,PTGS2,RPS6KA3,TP53}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{Aspergum,Aspirdrops,Benaspir,Micristin,aspirin,"ACETYLSALICYLIC ACID",50-78-2,50782,"2-Acetoxybenzoic acid","2Acetoxybenzoic acid","2-(Acetyloxy)benzoic acid","2(Acetyloxy)benzoic acid","O-Acetylsali
cylic acid","OAcetylsalicylic acid","o-Acetoxybenzoic acid","oAcetoxybenzoic acid",Acylpyrin,Easprin,Ecotrin,Acenterine,Acetophen,Polopiryna,A,T0005,1500130,Prestw-1207,Aspirin,ASPIRIN,"Acetylsalicyli
c acid"}

> <pdid>
PD002467

> <targets>
{Autophagy,COX,Mitophagy,Virus Protease}

> <classes>
{analgesic,antiinflammatory,antipyretic,Anti-infection,Autophagy,Immunology/Inflammation}

> <pubchem_cids>
{2244}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11100

> <plate>
PLATE 002

> <well>
G10

> <supplier_cmpd_name>
Salicylamide

> <ctcr_id>
1014

> <supplier_cmpd_id>
T0004

> <smiles>
NC(=O)c1ccccc1O

> <pd_targets>
{KDM4E,HPGD,MAPT,RORC,HSD17B10,ALDH1A1,TSHR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other cytosolic protein","Transcription factor","Membrane receptor",Eraser,"Nuclear receptor",Oxidoreductase,"Family A G protein-coupled receptor","Lysine demethylase",
"Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Glycohormone receptor","Nuclear hormone receptor s
ubfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Eicosanoid turnover","Nuclear hormone receptors","G protein-coupled receptors","1.14.11.- Histone demethylases","Prostaglandin synthases","1F. Retinoi
c acid-related orphans","Glycoprotein hormone receptors"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Gene expression (Transcription)",Disease,"Metabolism of lipids","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Metabolism of amino acids and 
derivatives","Biological oxidations","Infectious disease","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcr
iption Pathway","Branched-chain amino acid catabolism","Phase I - Functionalization of compounds","Leishmania infection","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynapt
ic events","Transcriptional regulation by RUNX3","Ethanol oxidation","Leishmania parasite growth and survival","Biosynthesis of D-series resolvins","Post NMDA receptor activation events","RUNX3 Regula
tes Immune Response and Cell Migration","Anti-inflammatory response favouring Leishmania parasite infection","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines pro
duction"}

> <broad_targets>
{}

> <broad_moa>
{"analgesic agent"}

> <synonyms>
{salicylamide,2-Hydroxybenzamide,2Hydroxybenzamide,65-45-2,65452,o-Hydroxybenzamide,oHydroxybenzamide,"Benzamide, 2-hydroxy-","Benzamide, 2hydroxy","Salicylic acid amide",2-Carbamoylphenol,2Carbamoylp
henol,Salamide,Urtosal,2-Carboxamidophenol,2Carboxamidophenol,Flarpirina,Morsarinas,Algamon,Algiamida,Allevin,Amidosal,Andasol,Cetamide,Dolomid,T0004,1500532,Salicylamide,SALICYLAMIDE}

> <pdid>
PD001761

> <targets>
{}

> <classes>
{analgesic}

> <pubchem_cids>
{5147}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12  9  0  0  0  0            999 V2000
   12.7999    1.1254    0.0000 H   0  3
   10.2999    1.1254    0.0000 Cl  0  5
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 N   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7989    1.5002    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    7.7992    0.0004    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11101

> <plate>
PLATE 002

> <well>
G11

> <supplier_cmpd_name>
Heptaminol hydrochloride

> <ctcr_id>
5267

> <supplier_cmpd_id>
T0045

> <smiles>
[H+].[Cl-].CC(N)CCCC(C)(C)O

> <pd_targets>
{CACNA1C}

> <pathway_gtopdb>
{"Ion channel","Voltage-gated ion channel","Voltage-gated calcium channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Voltage-gated calcium channels"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","NCAM signaling for neurite out-growth","NCAM1 interactions"}

> <broad_targets>
{}

> <broad_moa>
{vasoconstrictor}

> <synonyms>
{AKOS026749772,"Heptaminol hydrochloride",543-15-7,543157,"543 15 7","6-Amino-2-methyl-2-heptanol hydrochloride","6Amino2methyl2heptanol hydrochloride","6 Amino 2 methyl 2 heptanol hydrochloride","Arc
or tropfen","Heptaminol (hydr",1503218,Prestw-15,"HEPTAMINOL HYDROCHLORIDE"}

> <pdid>
PD013342

> <targets>
{}

> <classes>
{vasodilator}

> <pubchem_cids>
{74764362,10969}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 35  0  0  0  0            999 V2000
    9.0819   -9.7710    0.0000 C   0  0
    7.7815  -10.5187    0.0000 N   0  0
    6.4833   -9.7656    0.0000 C   0  0
    5.1830  -10.5134    0.0000 O   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  0
    3.8847   -8.2572    0.0000 C   0  0
    2.5873   -7.5027    0.0000 C   0  0
    1.2854   -8.2477    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2973   -2.2519    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    7.7766  -13.5195    0.0000 C   0  0
    6.4791  -12.7673    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    9.0755  -14.2734    0.0000 C   0  0
   10.3719  -15.0280    0.0000 C   0  0
   10.3667  -16.5280    0.0000 C   0  0
    9.0651  -17.2735    0.0000 C   0  0
    7.7687  -16.5190    0.0000 C   0  0
    7.7738  -15.0190    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
  2 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11102

> <plate>
PLATE 002

> <well>
H2

> <supplier_cmpd_name>
Oxethazaine

> <ctcr_id>
2812

> <supplier_cmpd_id>
T0044

> <smiles>
CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2

> <pd_targets>
{LMNA,CYP3A4,HIF1A,KMT2A,MEN1,SCN1A,SCN2A,SCN3A,CYP2C19,CYP2D6}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Transcription factor","Epigenetic regulator","Ion channel","Cytochrome P450",Reader,"Voltage-gated ion channel","Cytochrome P450 family 3",Bromodomain,"Voltage-gated s
odium channel","Cytochrome P450 family 2","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 3A4","Cytochrome P450 2C19","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Cellular responses to external stimuli",Mitotic,"Metabolism of lipids","Cellular responses to stress","Biological oxidations","M Phase","Biosynthesis of specialized proresolv
ing mediators (SPMs)","Cellular response to hypoxia","Phase I - Functionalization of compounds","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Oxygen-dependent proline hydroxylat
ion of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","Mitotic Anaphase","Biosynthesis of maresins",Xenobiotics,"Nuclear Envelope (NE) Reassembly","Biosynthesis of mare
sin-like SPMs","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"local anesthetic"}

> <synonyms>
{RESTW5,Oxethazaine,Oxetacaine,126-27-2,126272,Oxethacaine,Mucaine,Oxaethacainum,Betalgil,oxethazine,UNII-IP8QT76V17,UNIIIP8QT76V17,CHEMBL127592,IP8QT76V17,CHEBI:31947,Wy-806,Wy806,"Oxetacaine (INN)",
NCGC00016382-01,NCGC0001638201,CAS-126-27-2,CAS126272,DSSTox_CID_5818,DSSToxCID5818,DSSTox-CID-5818,"DSSTox CID 5818",DSSTox_RID_77936,DSSToxRID77936,DSSTox-RID-77936,"DSSTox RID 77936",DSSTox_GSID_25
818,DSSToxGSID25818,DSSTox-GSID-25818,"DSSTox GSID 25818",T0044,1503279,Prestw-58,OXETHAZAINE}

> <pdid>
PD001007

> <targets>
{HBV}

> <classes>
{anesthetic (local),Anti-infection}

> <pubchem_cids>
{4621}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 24  0  0  0  0            999 V2000
   11.5023   -4.1328    0.0000 H   0  3
    9.0023   -4.1328    0.0000 Cl  0  5
    6.4851   -9.7648    0.0000 C   0  0
    6.4868   -8.2648    0.0000 C   0  0
    5.1884   -7.5121    0.0000 N   0  0
    3.8860   -8.2579    0.0000 C   0  0
    2.5891   -7.5042    0.0000 C   0  0
    5.1901   -6.0113    0.0000 C   0  0
    3.8917   -5.2586    0.0000 C   0  0
    3.8934   -3.7577    0.0000 O   0  0
    2.5949   -3.0050    0.0000 C   0  0
    1.2948   -3.7531    0.0000 O   0  0
    2.5966   -1.5042    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    5.1956   -1.5125    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 13 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11103

> <plate>
PLATE 002

> <well>
H3

> <supplier_cmpd_name>
Adiphenine hydrochloride

> <ctcr_id>
4282

> <supplier_cmpd_id>
T0072

> <smiles>
[H+].[Cl-].CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2

> <pd_targets>
{CYP1A2,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,ALDH1A1,CYP3A4,LMNA,CYP2D6,HRH1,MAPT}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Cytochrome P450","Family A G protein-coupled receptor",Oxidoreductase,"Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochr
ome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 1A1","Acetylcholine receptor","C
ytochrome P450 3A4","Cytochrome P450 2D6","Histamine receptor","Other cytosolic protein"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP1 family","CYP3 family","CYP2 family: drug metabolising subset","Histamine receptors"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Signal Transduction","Biological oxidations","Metabolism of lipids",Mitotic,"Signaling by GPCR","Phase I - Functionalization of compounds","Biosynthesis of specialized prores
olving mediators (SPMs)","M Phase","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Class A
/1 (Rhodopsin-like receptors)",Xenobiotics,"Biosynthesis of maresins","Mitotic Anaphase","Amine ligand-binding receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthes
is of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Histamine receptors","Initiation of Nuclear Envelope (NE) Reformation","Neuronal System","Transmission across Chemical S
ynapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor activation events","Activation of AMPK downstream 
of NMDARs"}

> <broad_targets>
{CHRNA1}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{RESTW7,AKOS026749779,"Adiphenine hydrochloride",50-42-0,50420,"ADIPHENINE HCL",Patrovina,Sentiv,Spasnil,"Adiphenine (hydrochloride)","Trasentin hydrochloride","Adiphenine chloride","Adiphen hydrochlo
ride","Difacil hydrochloride","Adifenin hydrochloride",Dip,1503073,Prestw-75,"ADIPHENINE HYDROCHLORIDE"}

> <pdid>
PD013363

> <targets>
{}

> <classes>
{"muscle relaxant (smooth)"}

> <pubchem_cids>
{657315,5763,44655968}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 19  0  0  0  0            999 V2000
    8.6607   -0.5175    0.0000 H   0  3
    6.1607   -0.5175    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.4469   -5.2297    0.0000 N   0  0
    2.9152   -5.5365    0.0000 C   0  0
    3.6607   -4.2349    0.0000 C   0  0
    2.6532   -3.1236    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2985    3.7517    0.0000 C   0  0
   -1.2993    3.7504    0.0000 C   0  0
   -0.0007    4.5008    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  4  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 12  1  0
  6 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11104

> <plate>
PLATE 002

> <well>
H4

> <supplier_cmpd_name>
Xylometazoline hydrochloride

> <ctcr_id>
797

> <supplier_cmpd_id>
T0042

> <smiles>
[H+].[Cl-].Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C

> <pd_targets>
{HTR1A,PMP22,ATM,MAPT,FTL,BLM,CYP3A4,ADRA1A,TSHR,CHRM1,HTR1E,HTR1D,ADRA2C,ADRA1D,ADRA2A,ADRA2B,HTR1B,ADRA1B,TP53,CYP2D6,LMNA,TAAR4}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein",Enzyme,"Other cytosolic protein","Transcription factor","Other nuclear protein","Family A G protein-coupled receptor",Kinase,"Cytochrome P450","Small molecu
le receptor (family A GPCR)","Protein Kinase","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Monoamine receptor","Atypical protein kinase group","Cytochrome 
P450 family 3A","Glycohormone receptor","Cytochrome P450 family 2D","Serotonin receptor","Atypical protein kinase PIKK family","Cytochrome P450 3A4","Adrenergic receptor","Acetylcholine receptor","Cyt
ochrome P450 2D6"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","5-Hydroxytryptamine receptors",Atypical,"CYP3 family",Adrenoceptors,"Glycoprotein hormone receptors","Acetylc
holine receptors (muscarinic)","CYP2 family: drug metabolising subset","Orphan and other 7TM receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Class A Orphans","Other PIKK fa
mily kinases"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Cell Cycle","Neuronal System","Vesicle-mediated transport","DNA Repair",Metabolism,Disease,"Signaling by GPCR","Nervous system development","Cell Cycle 
Checkpoints","Transmission across Chemical Synapses","Membrane Trafficking","DNA Double-Strand Break Repair","Metabolism of lipids","Infectious disease","Biological oxidations",Mitotic,"GPCR ligand bi
nding","EGR2 and SOX10-mediated initiation of Schwann cell myelination","G1/S DNA Damage Checkpoints","Neurotransmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Bud
ding","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Phase I - Functionalization of compounds","M Phase","Class A/1 (Rhodopsin-like rece
ptors)","p53-Dependent G1/S DNA damage checkpoint","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","HDR through Homologous Recombination (HRR) or Single St
rand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Amine ligand-binding
 receptors","p53-Dependent G1 DNA Damage Response","Post NMDA receptor activation events","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Anti-inflammatory response favouring 
Leishmania parasite infection",Xenobiotics,"Mitotic Anaphase","Serotonin receptors","Stabilization of p53","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Biosy
nthesis of maresin-like SPMs",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Autode
gradation of the E3 ubiquitin ligase COP1","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{"X 6000",218X355,"Xylometazoline hydrochloride, analytical standard","Xylometazoline hydrochloride",1218-35-5,1218355,"Xylometazoline HCl","Xylometazoline (hydrochloride)",2-(4-tert-Butyl-2,2(4tertBu
tyl2,"6-dimethylbenzyl)-2-imidazoline hydrochlo","6dimethylbenzyl)2imidazoline hydrochlo",1500614,Prestw-223,"XYLOMETAZOLINE HYDROCHLORIDE"}

> <pdid>
PD009290

> <targets>
{}

> <classes>
{"adrenergic agonist","nasal decongestant"}

> <pubchem_cids>
{57505100,5282386,14634,657235}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -7.8029    2.9887    0.0000 C   0  0
   -9.0983    0.7368    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 10 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  1  0
 20  5  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11105

> <plate>
PLATE 002

> <well>
H5

> <supplier_cmpd_name>
Pentoxifylline

> <ctcr_id>
2338

> <supplier_cmpd_id>
T0070

> <smiles>
Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12

> <pd_targets>
{CHRM1,ACHE,LMNA,CHIT1,TSHR,IMPA1,CYP1A2,ADORA2B,PMP22,RXFP1,PDE4A,PDE4B,PDE4C,PDE4D,NFO,TNF,NFKB1,CHIB1,PDE10A,PDE1A,PDE1B,PDE1C,PDE2A,PDE3A,PDE3B,PDE5A,PDE6A,PDE6B,PDE6C,PDE6D,PDE6G,PDE6H,PDE7A,PDE7
B,PDE8A,PDE8B,PDE9A,ADORA2A,ADORA1,NT5E}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein","Unclassified protein","Secreted protein","Other cytosolic protein","Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450",Phosphodiester
ase,Phosphatase,"Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cytochrome P450 family 1","Phosphodiesterase 4","Phosphodiesterase 1","Monoamine receptor","Glycohormone r
eceptor","Cytochrome P450 family 1A","Nucleotide-like receptor (family A GPCR)","Relaxin-like peptide receptor (family A GPCR)","Phosphodiesterase 4A","Phosphodiesterase 1A","Acetylcholine receptor","
Cytochrome P450 1A1","Adenosine receptor","Relaxin receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Acetylcholine turnover","Inositol phosphate turnover","Cytochrome P450","Adenosine turnover","Acetylcholine receptors (muscarinic)","Glycoprotein horm
one receptors","Inositol monophosphatase","CYP1 family","Adenosine receptors","Relaxin family peptide receptors"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Cell Cycle","Digestion and absorption",Disease,"Developmental Biology","Immune System","Signaling by GPCR","Metabolism of lipids",Mitotic,Digestion,"Infectious disea
se","Inositol phosphate metabolism","Biological oxidations","Nervous system development","Cytokine Signaling in Immune system","GPCR ligand binding","Phospholipid metabolism","M Phase","Digestion of d
ietary carbohydrate","Leishmania infection","Synthesis of IP2",IP,"and Ins in the cytosol","Phase I - Functionalization of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","
Signaling by Interleukins","Class A/1 (Rhodopsin-like receptors)","Glycerophospholipid biosynthesis","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Cytochrome P450 - arran
ged by substrate type","Interleukin-10 signaling","Interleukin-1 family signaling","Cell recruitment (pro-inflammatory response)","Amine ligand-binding receptors","Synthesis of PC","Mitotic Anaphase",
"Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Interleukin-1 signaling","Nucleotide-like (purinergic) receptors","Purinergic signaling in leishmaniasis infection","M
uscarinic acetylcholine receptors","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3
K8 (TPL2)-dependent MAPK1/3 activation","Adenosine P1 receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADORA1,ADORA2A,ADORA2B,ADRA2B,NT5E,PDE10A,PDE1A,PDE1B,PDE1C,PDE2A,PDE3A,PDE3B,PDE4A,PDE4B,PDE4C,PDE4D,PDE5A,PDE6A,PDE6B,PDE6C,PDE6D,PDE6G,PDE6H,PDE7A,PDE7B,PDE8A,PDE8B,PDE9A,TNF}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{pentoxifylline,Trental,6493-05-6,6493056,Oxpentifylline,Pentoxifyllin,Torental,Pentoxyphylline,Dimethyloxohexylxanthine,Pentoxiphyllium,Vazofirin,Pentoxiphylline,Rentylin,"3,7-Dimethyl-1-(5-oxohexyl)
xanthine","3,7Dimethyl1(5oxohexyl)xanthine","BL 191",Pentoxyphyllin,3,7-Dihydro-3,7Dihydro3,T0070,NSC637086,SAM001247011,1503611,Prestw-196,"NSC 637086",Pentoxifylline,CPD000035998,PENTOXIFYLLINE}

> <pdid>
PD000975

> <targets>
{Autophagy,HIV,Phosphodiesterase (PDE)}

> <classes>
{bronchodilator,PDE inhibitor,vasodilator,Anti-infection,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{4740}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 31  0  0  1  0            999 V2000
    2.2090   -0.3353    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  1  0  0  0
    3.4192   -2.8384    0.0000 C   0  0
    4.4371   -3.9401    0.0000 C   0  0
    2.7105   -0.7713    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.4975    3.7477    0.0000 O   0  0
   -7.7962    2.9954    0.0000 C   0  0
   -9.1497    3.6118    0.0000 C   0  0
  -10.1495    2.4936    0.0000 C   0  0
   -9.3950    1.1971    0.0000 C   0  0
   -7.9289    1.5141    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  1
  8  9  1  0
  9 10  1  0
 10  2  1  0
 10 11  1  0
 11 12  3  0
 10 13  1  1
  6 14  1  6
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17  5  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11106

> <plate>
PLATE 002

> <well>
H6

> <supplier_cmpd_name>
Quinestrol

> <ctcr_id>
10939

> <supplier_cmpd_id>
T0040

> <smiles>
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCc1c3ccc(c1)OC1CCCC1

> <pd_targets>
{NS1,LMNA,SKA,MAPT,GAA,MAPK1,ESR1,ESR2}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein",Enzyme,"Other cytosolic protein","Transcription factor",Kinase,Hydrolase,"Nuclear receptor","Protein Kinase","Nuclear hormone receptor subfamily 3","CMG
C protein kinase group","Nuclear hormone receptor subfamily 3 group A","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 3 group A member 1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"3.2.1.- Glycosidases","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Steroid hormone receptors","Mitogen-activated protein kina
ses (MAP kinases)","3A. Estrogen receptors","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System",Disease,"Immune System","Gene expression (Transcription)",Mitotic,"Transmission across Chemical Synapses","Diseases of metabolism","Innate Immune System","RNA Polymeras
e II Transcription","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Diseases of carbohydrate metabolism","Toll-like Receptor Cascades","Generic Transcription Pathway","Mit
otic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Glycogen storage diseases","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX1","Mitotic Ana
phase","Post NMDA receptor activation events","Glycogen storage disease type II (GAA)","MyD88 cascade initiated on plasma membrane","RUNX1 regulates estrogen receptor mediated transcription","Nuclear 
Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","MAP kinase activation","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ER
K/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ESR1,ESR2}

> <broad_moa>
{"estrogen receptor agonist"}

> <synonyms>
{QUINESTROL,152-43-2,152432,Estrovis,"Quinestrolo (DCIT)",Quinestrolum,"Quinestrolum (INN-Latin)","Quinestrolum (INNLatin)","Estradiol-17-beta 3-cyclopentyl ether","Estradiol17beta 3cyclopentyl ether"
,Estrovister,Plestrovis,Eston,"17alpha-Ethynylestradiol 3-cyclopentyl ether","17alphaEthynylestradiol 3cyclopentyl ether","17-alpha-Ethinylestradiol 3-cyclopent","17alphaEthinylestradiol 3cyclopent",T
0040,Quinestrol}

> <pdid>
PD001682

> <targets>
{ER}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{9046}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 25  0  0  1  0            999 V2000
   15.3985   -1.1176    0.0000 Cl  0  5
    5.1919    1.5058    0.0000 C   0  0
    6.4933    0.7599    0.0000 N   0  0
    7.7897    1.5144    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0  1  0  0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    9.0994   -0.7387    0.0000 C   0  0
   10.3984   -1.4887    0.0000 C   0  0
   10.3985   -2.9887    0.0000 C   0  0
    9.0995   -3.7387    0.0000 C   0  0
    7.8004   -2.9887    0.0000 C   0  0
   12.8985   -1.1176    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18  9  1  0
 18 13  1  0
  5 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  CHG  2   1  -1  25   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11107

> <plate>
PLATE 002

> <well>
H7

> <supplier_cmpd_name>
Dapoxetine HCl

> <ctcr_id>
7575

> <supplier_cmpd_id>
T6461

> <smiles>
[Cl-].CN(C)[C@@H](CCOc1cccc2ccccc12)c3ccccc3.[H+]

> <pd_targets>
{SLC6A4}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC06 neurotransmitter transporter family"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC6 neurotransmitter transporter family","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter clearance","Serotonin clearance from the synaptic cleft"}

> <broad_targets>
{HTR1A,HTR1B,HTR2C,SLC6A4}

> <broad_moa>
{"selective serotonin reuptake inhibitor (SSRI)"}

> <synonyms>
{"Dapoxetine hydrochloride",129938-20-1,129938201,"129938 20 1","Dapoxetine HCl",Priligy,UNII-U4OHT63MRI,UNIIU4OHT63MRI,"UNII U4OHT63MRI","Dapoxetine (hydrochloride)",U4OHT63MRI,"(+)-Dapoxetine hydroc
hloride","(+)Dapoxetine hydrochloride",S1869,"Dapoxetine HCl"}

> <pdid>
PD008691

> <targets>
{"5-HT Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{67108443,71352}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 38  0  0  1  0            999 V2000
    1.2636   -2.2496    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5801    0.0303    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0  2  0  0  0
   -2.5981   -4.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 C   0  0  2  0  0  0
   -7.7942   -3.0000    0.0000 C   0  0
   -9.0933   -3.7501    0.0000 C   0  0  2  0  0  0
   -9.0565   -2.2505    0.0000 C   0  0
   -9.0933   -5.2501    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0
   -6.4952   -5.2500    0.0000 C   0  0  1  0  0  0
   -6.4952   -6.7500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0  1  0  0  0
   -3.0311   -4.2500    0.0000 C   0  0
  -10.3567   -4.5216    0.0000 C   0  0
  -11.6557   -3.7715    0.0000 O   0  0
  -10.3574   -6.0216    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10  2  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15  8  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  1
 21 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 20  1  0
 26 27  1  6
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 13  1  0
 30 19  1  0
 30 31  1  1
 22 32  1  0
 32 33  1  0
 32 34  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11108

> <plate>
PLATE 002

> <well>
H8

> <supplier_cmpd_name>
Enoxolone

> <ctcr_id>
2151

> <supplier_cmpd_id>
T0036

> <smiles>
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]3(C)C2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O

> <pd_targets>
{PYGM,HSD11B1,LMNA,FFP,MAPT,CES2,PTPN1,ALD,PTPN11,AKR1B10,CYP3A4,HSD11B2,CES1,PTPN6,PRKCH,SLCO1B3,ALOX5,SLCO1B1,GLO1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Other cytosolic protein",Transporter,Transferase,Protease,Oxidoreductase,Hydrolase,Phosphatase,"Cytochrome P450",Kinase,"Electrochemical transporter",Lyase,"Cysteine p
rotease","Protein Phosphatase","Cytochrome P450 family 3","Protein Kinase","SLC superfamily of solute carriers","Cysteine protease CA clan","Tyrosine protein phosphatase","Cytochrome P450 family 3A","
AGC protein kinase group","SLC21/SLCO family of organic anion transporting polypeptides","Cysteine protease C1A family","Cytochrome P450 3A4","AGC protein kinase PKC family","AGC protein kinase PKC et
a subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"1.-.-.- Oxidoreductases",Phosphatases,"Cytochrome P450",Hydrolases,"Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Eicosanoid turnover","Protein tyrosine phosphatas
es non-receptor type (PTPN)","CYP3 family","AGC: Containing PKA",PKG,"PKC families","SLCO family of organic anion transporting polypeptides",Lipoxygenases,"Protein kinase C (PKC) family","Eta subfamil
y"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Neuronal System","Gene expression (Transcription)","Immune System","Signal Transduction","Metabolism of carbohydrates","Metabolism of lipids",Mitotic,"Transmission across Che
mical Synapses","Biological oxidations","RNA Polymerase II Transcription","Innate Immune System","Metabolism of vitamins and cofactors","Cytokine Signaling in Immune system","Signaling by GPCR","The c
itric acid (TCA) cycle and respiratory electron transport","Glycogen metabolism","Metabolism of steroids","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functio
nalization of compounds","Generic Transcription Pathway","Toll-like Receptor Cascades","Metabolism of fat-soluble vitamins","Biosynthesis of specialized proresolving mediators (SPMs)","Interferon Sign
aling","GPCR downstream signalling","Pyruvate metabolism and Citric Acid (TCA) cycle","Glycogen breakdown (glycogenolysis)","Metabolism of steroid hormones","Mitotic Metaphase and Anaphase","Activatio
n of NMDA receptors and postsynaptic events","Transcriptional Regulation by MECP2","Toll Like Receptor 4 (TLR4) Cascade","Retinoid metabolism and transport","Biosynthesis of DHA-derived SPMs","Interfe
ron alpha/beta signaling","G alpha (z) signalling events","Bile acid and bile salt metabolism","Biosynthesis of DPA-derived SPMs","Pyruvate metabolism","Glucocorticoid biosynthesis","Mitotic Anaphase"
,"Post NMDA receptor activation events","MECP2 regulates neuronal receptors and channels","MyD88-independent TLR4 cascade","Biosynthesis of maresins","Regulation of IFNA signaling","Recycling of bile 
acids and salts","Biosynthesis of DPAn-3 SPMs","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","TRIF(TICAM1)-mediated TLR4 signaling","Biosynthesis of maresin-like SPMs","
Biosynthesis of DPAn-3-derived 13-series resolvins","Initiation of Nuclear Envelope (NE) Reformation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{HSD11B1}

> <broad_moa>
{"gap junction modulator"}

> <synonyms>
{Glycyrrhetin,"Uralenic acid",Arthrodont,Spectrum_000254,Spectrum000254,Spectrum-000254,"Spectrum 000254",SpecPlus_000869,SpecPlus000869,SpecPlus-000869,"SpecPlus 000869",Spectrum2_000464,Spectrum2000
464,Spectrum2-000464,"Spectrum2 000464",Spectr,1500990,ENOXOLONE}

> <pdid>
PD001522

> <targets>
{}

> <classes>
{antitussive,antiinflammatory,antibacterial}

> <pubchem_cids>
{5702287}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5889   -3.0039    0.0000 C   0  0
    3.8823   -3.7637    0.0000 C   0  0
    3.8709   -5.2637    0.0000 C   0  0
    2.5662   -6.0038    0.0000 C   0  0
    2.5548   -7.5038    0.0000 O   0  0
    1.2729   -5.2440    0.0000 C   0  0
    1.2843   -3.7440    0.0000 C   0  0
    1.3022   -0.7447    0.0000 C   0  0
   -0.0004   -1.4901    0.0000 C   0  0
   -1.2971   -0.7360    0.0000 C   0  0
    1.3105    0.7561    0.0000 C   0  0
    0.0172    1.5160    0.0000 C   0  0
    0.0285    3.0160    0.0000 C   0  0
    1.3332    3.7561    0.0000 C   0  0
    1.3446    5.2561    0.0000 O   0  0
    2.6265    2.9963    0.0000 C   0  0
    2.6152    1.4964    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
  3 11  1  0
 11 12  2  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11109

> <plate>
PLATE 002

> <well>
H9

> <supplier_cmpd_name>
Dienestrol

> <ctcr_id>
4988

> <supplier_cmpd_id>
T0035

> <smiles>
C/C=C(c1ccc(O)cc1)/C(=C/C)c2ccc(O)cc2

> <pd_targets>
{CYP3A4,ALOX12,TIM10,MAPT,GAA,AMPC,FTL,ESR1,LMNA,ALOX15,HIF1A}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Transcription factor","Other nuclear protein","Cytochrome P450",Hydrolase,"Nuclear receptor",Oxidoreductase,"Cytochrome P450 family 3","Nuclea
r hormone receptor subfamily 3","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 3 group A","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 3 group A member 1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Eicosanoid turnover","3.2.1.- Glycosidases","Nuclear hormone receptors","CYP3 family",Lipoxygenases,"Steroid hormone receptors","3A. Estrogen receptors"}

> <pathway_reactome>
{Metabolism,"Neuronal System",Disease,"Vesicle-mediated transport","Gene expression (Transcription)","Cell Cycle","Cellular responses to external stimuli","Metabolism of lipids","Transmission across C
hemical Synapses","Diseases of metabolism","Membrane Trafficking","RNA Polymerase II Transcription",Mitotic,"Cellular responses to stress","Biosynthesis of specialized proresolving mediators (SPMs)","
Neurotransmitter receptors and postsynaptic signal transmission","Diseases of carbohydrate metabolism","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","M Phase","Cellular respons
e to hypoxia","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Glycogen storage diseases","Golgi Associated Vesicle Biogene
sis","Transcriptional regulation by RUNX1","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of maresins","Biosynthesis of DPAn-
3 SPMs","Post NMDA receptor activation events","Glycogen storage disease type II (GAA)","RUNX1 regulates estrogen receptor mediated transcription","Mitotic Anaphase","Biosynthesis of maresin-like SPMs
","Biosynthesis of DPAn-3-derived maresins","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Initiation of Nuclea
r Envelope (NE) Reformation"}

> <broad_targets>
{ESR1}

> <broad_moa>
{"estrogen receptor agonist"}

> <synonyms>
{RESTW79,dienestrol,Dehydrostilbestrol,Dienoestrol,"(E,E)-Dienestrol","(E,E)Dienestrol",Cycladiene,Estraguard,Dienol,Estrodienol,Oestrodiene,84-17-3,84173,Oestrasid,Dehydrostilboestrol,Oestrodienol,Di
enesterol,Dinestrol,Estragard,Estroral,Follormon,Gynefollin,Hormofemin,Oestro,T0035,1500241,Prestw-798,Dienestrol,DIENESTROL}

> <pdid>
PD002378

> <targets>
{}

> <classes>
{estrogen}

> <pubchem_cids>
{667476}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  1  0            999 V2000
    5.1422   -5.3703    0.0000 C   0  0
    4.1252   -6.4729    0.0000 C   0  0
    4.5720   -7.9048    0.0000 O   0  0
    2.6611   -6.1428    0.0000 O   0  0
    2.2141   -4.7101    0.0000 C   0  0
    0.7500   -4.3800    0.0000 C   0  0
   -0.2670   -5.4825    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
   -0.6870   -2.7320    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  1  6
 22 24  1  0
 24 13  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28  8  1  0
 28 12  1  0
 28 29  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11110

> <plate>
PLATE 002

> <well>
H10

> <supplier_cmpd_name>
Cortisone acetate

> <ctcr_id>
4605

> <supplier_cmpd_id>
T0034

> <smiles>
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C

> <pd_targets>
{CHRM1,BLM,FNTA,FNTB,NR3C1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Transcription factor","Family A G protein-coupled receptor",Transferase,"Nuclear receptor","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 3"
,"Monoamine receptor","Nuclear hormone receptor subfamily 3 group C","Acetylcholine receptor","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Nuclear hormone receptors","Acetylcholine receptors (muscarinic)","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Signal Transduction","DNA Repair","Gene expression (Transcription)","Signaling by GPCR","DNA Double-Strand Break Repair","RNA Polymerase II Transcription","GPCR ligand binding","Homology Directed Re
pair","Generic Transcription Pathway","Class A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","FOXO-mediated transcription","Amine ligand-b
inding receptors","HDR through Homologous Recombination (HRR)","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Muscarinic acetylcholine receptors","Homologous DNA Pai
ring and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{"Cortisone (acetate)",Spectrum_000846,Spectrum000846,Spectrum-000846,"Spectrum 000846",Spectrum2_001136,Spectrum2001136,Spectrum2-001136,"Spectrum2 001136",Spectrum3_000364,Spectrum3000364,Spectrum3-
000364,"Spectrum3 000364",Spectrum4_000300,Spectrum4000300,Spectrum4-000300,"Spectrum4 000300",Spectrum5_000789,Spectrum5000789,Spectrum5-000789,"Spectrum5 000789",BSPBio_002087,BSPBio002087,BSPBio-00
2087,"BSPBio 002087",KBioGR_000860,KBioGR000860,KBioGR-000860,"KBioGR 000860",KBioSS_001326,KBioSS001326,KBioSS-001326,"KBioSS 001326",DivK1c_000006,DivK1c000006,DivK1c-000006,"DivK1c 000006",SPECTRUM
1500207,SPBio_001031,SPBio001031,SPBio-001031,"SPBio 001031",SCHEMBL10301195,HMS500A08,KBio1_000006,KBio1000006,KBio1-000006,"KBio1 000006",KBio2,1500207,"CORTISONE ACETATE"}

> <pdid>
PD002406

> <targets>
{}

> <classes>
{glucocorticoid}

> <pubchem_cids>
{5702028}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 26  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 O   0  0
   22.0998    0.7500    0.0000 P   0  0
   22.0998    2.2500    0.0000 O   0  5
   20.8009    1.5002    0.0000 O   0  0
   23.3998    0.0000    0.0000 O   0  0
   24.6998    0.7500    0.0000 C   0  0
   25.9998    0.0000    0.0000 C   0  0
   27.2998    0.7500    0.0000 N   0  3
   28.5991    0.0004    0.0000 C   0  0
   27.2998    2.2500    0.0000 C   0  0
   28.5987    1.5002    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
M  CHG  2  19  -1  24   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11111

> <plate>
PLATE 002

> <well>
H11

> <supplier_cmpd_name>
Miltefosine

> <ctcr_id>
4275

> <supplier_cmpd_id>
T0033

> <smiles>
CCCCCCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C

> <pd_targets>
{FTL,LMNA,HEXB,CDC25A,AKT1}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein",Enzyme,Hydrolase,Phosphatase,Protease,Kinase,"Protein Phosphatase","Cysteine protease","Protein Kinase","Serine/threonine/tyrosine protein phosphatase",
"Cysteine protease CA clan","AGC protein kinase group","Cysteine protease C1A family","AGC protein kinase AKT family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","Akt (Protein kinase B","PKB) family"}

> <pathway_reactome>
{"Vesicle-mediated transport","Cell Cycle",Disease,"Gene expression (Transcription)","Membrane Trafficking",Mitotic,"Diseases of metabolism","Cell Cycle Checkpoints","RNA Polymerase II Transcription",
"trans-Golgi Network Vesicle Budding","M Phase","Diseases of glycosylation","G1/S DNA Damage Checkpoints","Generic Transcription Pathway","Golgi Associated Vesicle Biogenesis","Mitotic Metaphase and A
naphase","Diseases associated with glycosaminoglycan metabolism","p53-Independent G1/S DNA damage checkpoint","Transcriptional Regulation by TP53","Mitotic Anaphase","Defective HEXB causes GM2G2","p53
-Independent DNA Damage Response","Regulation of TP53 Activity","Nuclear Envelope (NE) Reassembly","Ubiquitin Mediated Degradation of Phosphorylated Cdc25A","Regulation of TP53 Expression and Degradat
ion","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Choline, inner salt",Miltefosine,58066-85-6,58066856,Hexadecylphosphocholine,Miltex,Impavido,Hexadecylphosphorylcholine,HDPC,n-Hexadecylphosphorylcholine,nHexadecylphosphorylcholine,Miltefosinum,Mil
tefosina,"hexadecyl 2-(trimethylammonio)ethyl phosphate","hexadecyl 2(trimethylammonio)ethyl phosphate",1-Hexadecylphosphorylch,1Hexadecylphosphorylch,T0033,NSC605583,1505329,"NSC 605583",MILTEFOSINE,
"Miltefosin C"}

> <pdid>
PD000933

> <targets>
{Akt,HIV}

> <classes>
{antineoplastic,Anti-infection,PI3K/Akt/mTOR}

> <pubchem_cids>
{3599}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  9  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0  1  0  0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0  2  0  0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0  1  0  0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  6
  5  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11112

> <plate>
PLATE 003

> <well>
A2

> <supplier_cmpd_name>
DL-Xylose

> <ctcr_id>
6136

> <supplier_cmpd_id>
T0032

> <smiles>
OC[C@@H](O)[C@H](O)[C@@H](O)C=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{88673-EP2275417A2,88673EP2275417A2,88673-EP2284162A2,88673EP2284162A2,88673-EP2284163A2,88673EP2284163A2,88673-EP2301533A1,88673EP2301533A1,88673-EP2301919A1,88673EP2301919A1,88673-EP2305825A1,88673E
P2305825A1,DL-Xylose,DLXylose,aldehydo-D-xylose,aldehydoDxylose,(D)-XYLOSE,(D)XYLOSE,"(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal","(2R,3S,4R)2,3,4,5tetrahydroxypentanal",(+)-Xylose,(+)Xylose,D-xylo-pento
se,Dxylopentose,"Xylose (VAN)",41247-05-6,41247056,"FEMA N",T4786,T4882,T2S0461,T0032,1300048,D-(-)-Ribose,DL-Arabinose,D-Arabinose,XYLOSE}

> <pdid>
PD144372

> <targets>
{}

> <classes>
{"diagnostic aid"}

> <pubchem_cids>
{644160}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    7.5987   -4.3657    0.0000 H   0  3
    5.0987   -4.3657    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5533    4.4223    0.0000 O   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 N   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 N   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -1.3071   -9.7511    0.0000 C   0  0
   -0.0924  -10.6092    0.0000 N   0  0
   -0.5539  -12.0365    0.0000 S   0  0
   -2.0531  -12.0383    0.0000 C   0  0
   -3.0552  -13.1544    0.0000 C   0  0
   -4.5229  -12.8446    0.0000 C   0  0
   -4.9884  -11.4187    0.0000 C   0  0
   -3.9863  -10.3026    0.0000 C   0  0
   -2.5186  -10.6124    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11  6  2  0
 11 12  1  0
 12 13  2  0
 13  4  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 22  1  0
 30 25  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11113

> <plate>
PLATE 003

> <well>
A3

> <supplier_cmpd_name>
Ziprasidone hydrochloride monohydrate

> <ctcr_id>
4266

> <supplier_cmpd_id>
T0031

> <smiles>
[H+].[Cl-].Clc1cc2NC(=O)Cc2cc1CCN3CCN(CC3)c4nsc5ccccc45

> <pd_targets>
{DRD2,ADRA1A,ADRA1B,ADRA1D,H1-0,HTR2C,SLC6A4,HTR1A,HRH1,MAPT,DRD3,SCN10A,HTR2A,ADRB2,ADRA2C,ADRB1,GABRA1,CHRM3,KCNH2,CCK,CYSLTR1,OPRD1,HTR1D,CHRM1,NET,HTR7,DRD4,HTR1E,ADRA2A,OPRK1,TBXA2R,CHRM4,HTR1B,H
TR3A,CHRM2,SIGMAR1,HTR6,CACNA1C,CHRM5,ADRA2B,TGR,RORC,SLC6A3,OPRM1,ARRB1,CCKBR,TAC1,HTR2B,HTR3B,HTR3C,HTR3D,HTR3E,MTOR,DRD5,HTR5A}

> <pathway_gtopdb>
{"Membrane receptor","Other nuclear protein",Transporter,"Other cytosolic protein","Ion channel","Secreted protein",Enzyme,"Transcription factor","Unclassified protein","Family A G protein-coupled rec
eptor","Electrochemical transporter","Voltage-gated ion channel","Ligand-gated ion channel","Nuclear receptor",Kinase,"Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Vo
ltage-gated sodium channel","GABA-A receptor","Potassium channels","Peptide receptor (family A GPCR)","5HT3 receptor","Voltage-gated calcium channel","Nuclear hormone receptor subfamily 1","Protein Ki
nase","Monoamine receptor","SLC06 neurotransmitter transporter family","Voltage-gated potassium channel","Lipid-like ligand receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Nuclear 
hormone receptor subfamily 1 group F","Atypical protein kinase group","Dopamine receptor","Adrenergic receptor","Serotonin receptor","Histamine receptor","Acetylcholine receptor","Leukotriene receptor
","Opioid receptor","Prostanoid receptor","Nuclear hormone receptor subfamily 1 group F member 3","Cholecystokinin receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfami
ly"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels","Other protein targets",Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Voltage-gated ion channels","Ligand-gated ion channels","Sigm
a receptors","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Dopamine receptors","5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","Histamine receptors","Voltage-gated sod
ium channels",Adrenoceptors,"GABA<sub>A</sub> receptors","Acetylcholine receptors (muscarinic)","Potassium channels","Leukotriene receptors","Opioid receptors","Prostanoid receptors","5-HT<sub>3</sub>
 receptors","Voltage-gated calcium channels","1F. Retinoic acid-related orphans","Cholecystokinin receptors",Atypical,"Monoamine transporter subfamily","Voltage-gated potassium channels","Phosphatidyl
 inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Cellular responses to external stimuli","Neuronal System",Disease,"Developmental Biology","Muscle contraction","Gene expression (Transcription)","Signaling by GPCR","Cellular r
esponses to stress","Transmission across Chemical Synapses","Infectious disease","Nervous system development","Cardiac conduction","RNA Polymerase II Transcription","Disorders of transmembrane transpo
rters","Diseases of signal transduction by growth factor receptors and second messengers","GPCR ligand binding","Cellular Senescence","Neurotransmitter clearance","Neurotransmitter receptors and posts
ynaptic signal transmission","Leishmania infection","Axon guidance","Phase 3 - rapid repolarisation","Generic Transcription Pathway","SARS-CoV Infections","SLC transporter disorders","GPCR downstream 
signalling","Oncogenic MAPK signaling","Class A/1 (Rhodopsin-like receptors)","DNA Damage/Telomere Stress Induced Senescence","Serotonin clearance from the synaptic cleft","Activation of NMDA receptor
s and postsynaptic events","Leishmania parasite growth and survival","L1CAM interactions","GABA receptor activation","Transcriptional Regulation by MECP2","Potential therapeutics for SARS","NCAM signa
ling for neurite out-growth","Transcriptional regulation by RUNX3","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","G alpha (i) signalling events","Signaling by RAS mutants","G alpha
 (q) signalling events","Transcriptional Regulation by TP53","Amine ligand-binding receptors","Formation of Senescence-Associated Heterochromatin Foci (SAHF)","Post NMDA receptor activation events","A
nti-inflammatory response favouring Leishmania parasite infection","Interaction between L1 and Ankyrins","Peptide ligand-binding receptors","MECP2 regulates neuronal receptors and channels","Eicosanoi
d ligand-binding receptors","NCAM1 interactions","RUNX3 Regulates Immune Response and Cell Migration","Opioid Signalling","Signaling downstream of RAS mutants","Gastrin-CREB signalling pathway via PKC
 and MAPK","Regulation of TP53 Activity","Dopamine receptors","Serotonin receptors","Histamine receptors","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines produc
tion",Adrenoceptors,"Muscarinic acetylcholine receptors","LTC4-CYSLTR mediated IL4 production","Prostanoid ligand receptors","G-protein activation","Tachykinin receptors bind tachykinins","Regulation 
of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA2A,ADRA2B,ADRA2C,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD1,DRD2,DRD3,DRD4,DRD5,HRH1,HTR1A,HTR1B,HTR1D,HTR1E,HTR2A,HTR2C,HTR3A,HTR6,HTR7,SLC6A4}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{RESTW118,JAL53626GG,"Ziprasidone hydrochloride",122883-93-6,122883936,"Ziprasidone HCl",Geodon,Zeldox,"Ziprasidone (hydrochloride)",UNII-JAL53626GG,UNIIJAL53626GG,"CP 88059 (hydrochloride monohydrate
)","CP 88059","122883-93-6 (HCl)","122883936 (HCl)",C21H22Cl2N4OS,"Ziprasidone hydrochloride (US",T0031L,T0031L2,T0031,Prestw-1188,Ziprasidone,"Ziprasidone hydrochloride monohydrate","Ziprasidone  Hyd
rochloride"}

> <pdid>
PD010148

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{219099,67108352}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 22  0  0  0  0            999 V2000
    8.9998   -4.1328    0.0000 Br  0  5
    6.4991   -0.7671    0.0000 C   0  0
    5.1972   -1.5121    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    3.9051    0.7424    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    3.8933   -3.7570    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  3
    6.4876   -6.7640    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7648    0.0000 C   0  0
    3.8863   -8.2598    0.0000 C   0  0
    3.8827   -9.7598    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 12 16  1  0
 16 17  1  0
  6 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  CHG  2   1  -1  12   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11114

> <plate>
PLATE 003

> <well>
A4

> <supplier_cmpd_name>
Valethamate bromide

> <ctcr_id>
10940

> <supplier_cmpd_id>
T0023

> <smiles>
[Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1

> <pd_targets>
{CHRM4,SIGMAR1,CHRM5,CHRM2,CHRM3,CHRM1,CYP2D6}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Monoamine receptor","Cytochrome P450 family 2D
","Acetylcholine receptor","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,"Other protein targets",Enzymes,"G protein-coupled receptors","Sigma receptors","Cytochrome P450","Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Signaling by GPCR","Infectious disease","Biological oxidations","GPCR ligand binding","SARS-CoV Infections","Phase I - Functionalization of compounds","Class
 A/1 (Rhodopsin-like receptors)","Potential therapeutics for SARS","Cytochrome P450 - arranged by substrate type","Amine ligand-binding receptors",Xenobiotics,"Muscarinic acetylcholine receptors","CYP
2E1 reactions"}

> <broad_targets>
{CHRM1,CHRM4,CHRM5}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"valethamate bromide",90-22-2,90222,Epidosin,Resitan,Murel,UNII-6XFR940M2A,UNII6XFR940M2A,"Valethamate (bromide)",6XFR940M2A,Ediposin,Epidozin,"Diethylmethyl(2-3-methyl-2-phenylvaleryloxy)-ethyl)ammo
nium bromide","Diethylmethyl(23methyl2phenylvaleryloxy)ethyl)ammonium bromide",diethyl-methyl-(2-(3-methyl-2-phenylpenta,diethylmethyl(2(3methyl2phenylpenta,T0023,"Valethamate bromide"}

> <pdid>
PD014601

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{7010}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    3.4523   -0.4348    0.0000 C   0  0
    2.5625    0.0216    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.1651    1.2500    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -2.5000    0.0000 O   0  0
    1.7713   -2.1535    0.0000 C   0  0
    3.2417   -2.4501    0.0000 C   0  0
    3.7200   -3.8718    0.0000 C   0  0
    2.7279   -4.9969    0.0000 C   0  0
    1.2576   -4.7003    0.0000 C   0  0
    0.7792   -3.2786    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  9 10  2  0
  3 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11115

> <plate>
PLATE 003

> <well>
A5

> <supplier_cmpd_name>
Primidone

> <ctcr_id>
4168

> <supplier_cmpd_id>
T0024

> <smiles>
CCC1(C(=O)NCNC1=O)c2ccccc2

> <pd_targets>
{KMT2A,MEN1,APEX1,POLB,CYP1A2,TRPM3,TSHR,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,G
ABRP,GABRQ,CHRNA4,CHRNA7,GRIA2,GRIK2}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Unclassified protein","Membrane receptor","Ion channel",Reader,"Cytochrome P450","Family A G protein-coupled receptor","Voltage-gated ion channel","Ligand-gated ion cha
nnel",Bromodomain,"Cytochrome P450 family 1","Peptide receptor (family A GPCR)","Voltage-gated sodium channel","GABA-A receptor","Nicotinic acetylcholine receptor","Ionotropic glutamate receptor","Cyt
ochrome P450 family 1A","Glycohormone receptor","Nicotinic acetylcholine receptor alpha subunit","AMPA receptor","Kainate receptor","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Cytochrome P450","Voltage-gated ion channels","G protein-coupled receptors","Ligand-gated ion channels","CYP1 family","Transient Receptor Potential channels","Glycop
rotein hormone receptors","GABA<sub>A</sub> receptors","Nicotinic acetylcholine receptors","Ionotropic glutamate receptors"}

> <pathway_reactome>
{"DNA Repair",Metabolism,"Transport of small molecules",Disease,"Neuronal System","Base Excision Repair","Biological oxidations","Ion channel transport","Infectious disease","Transmission across Chemi
cal Synapses","Resolution of Abasic Sites (AP sites)","Phase I - Functionalization of compounds","Stimuli-sensing channels","Leishmania infection","Neurotransmitter receptors and postsynaptic signal t
ransmission","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Cytochrome P450 - arranged by substrate type","TRP channels","Leishmania parasite growth and survival","GAB
A receptor activation","Acetylcholine binding and downstream events","Activation of NMDA receptors and postsynaptic events","Activation of kainate receptors upon glutamate binding","PCNA-Dependent Lon
g Patch Base Excision Repair",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Postsynaptic nicotinic acetylcholine receptors","Post NMDA receptor activation events","
Ionotropic activity of kainate receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Highly calcium permeable postsyn
aptic nicotinic acetylcholine receptors","Long-term potentiation","Activation of Ca-permeable Kainate Receptor"}

> <broad_targets>
{CHRNA4,CHRNA7,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,GRIA2,GRIK2,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"GABA receptor antagonist"}

> <synonyms>
{primidone,125-33-7,125337,Primaclone,Mysoline,2-Deoxyphenobarbital,2Deoxyphenobarbital,Lepimidin,Liskantin,Mylepsinum,Lepsiral,Misodine,Mizodin,Mylepsin,Neurosyn,Primidon,Sertan,2-Desoxyphenobarbital
,2Desoxyphenobarbital,Hexadiona,Majsolin,Milepsin,Misolyne,Prilepsin,Primakton,Primoline,Pryso,T0024,SAM002554925,1500501,Prestw-933,Primidone,CPD000058501,PRIMIDONE}

> <pdid>
PD001787

> <targets>
{Sodium Channel}

> <classes>
{anticonvulsant,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{4909}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5800    0.0305    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
  -11.6975    3.7386    0.0000 F   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2643   -2.2302    0.0000 C   0  0
    2.5453   -3.0105    0.0000 C   0  0
    2.5101   -4.5101    0.0000 C   0  0
    1.1938   -5.2294    0.0000 C   0  0
    1.1586   -6.7290    0.0000 Cl  0  0
   -0.0872   -4.4491    0.0000 C   0  0
   -0.0520   -2.9495    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
  5 18  1  0
 18 19  1  0
 19  2  1  0
  2 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11116

> <plate>
PLATE 003

> <well>
A6

> <supplier_cmpd_name>
Haloperidol

> <ctcr_id>
3825

> <supplier_cmpd_id>
T0025

> <smiles>
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3

> <pd_targets>
{CYP3A4,CYP1A2,CYP2D6,DRD3,CHRM5,DRD2,CHRM4,CHRM1,CHRM2,CHRM3,AMPC,NET,HTR1A,HTR2A,HTR2B,HTR2C,HTR7,KCNH1,ADCY1,ADCY2,ADCY3,ADCY4,ADCY5,ADCY6,ADCY8,SIGMAR1,ABCB11,DRD4,DRD1,DRD5,KCNH2,HRH1,OPRD1,OPRK1
,OPRM1,TMEM97,POL,ADRA1A,ADRA2C,CACNA1C,CCK,GABRA1,SCN10A,TAC1,THPO,HTR3A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,PROTEASE,CYP2J2,GRIN1,ERG2,ZNF664,ABCB1,EBP,NFKB1,RORC,SLC6A2,CYP2C19,HTR1B,HTR6,KCNJ6,LEF,SLC6A4,
CCKBR,SLC6A3,CYSLTR1,ADRB2,NISCH,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,H1-0,HTR1D,PMP22,AP2S1,ALB,ALOX15,CACNA1D,CACNA1F,CACNA1S,HTR1F,ARRB1,KMT2A,MEN1,HTR1E,TBXA2R,MTOR,HRH2,KCNK2,SL
C18A3,GRIN2B}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Cytochrome P450","Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450 family 3","Cytochrome P450 family 1","Cytochrome P450 family 2","Small molecule receptor 
(family A GPCR)","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Monoamine receptor","Cytochrome P450 3A4","Cytochrome P450 1A1","Cytochrome P450 2D6","Dopamine re
ceptor","Acetylcholine receptor",Transporter,"Ion channel","Unclassified protein","Secreted protein","Other cytosolic protein","Transcription factor","Other nuclear protein","Epigenetic regulator","El
ectrochemical transporter","Voltage-gated ion channel",Lyase,"Primary active transporter",Protease,"Ligand-gated ion channel",Isomerase,"Nuclear receptor",Oxidoreductase,Reader,Kinase,"SLC superfamily
 of solute carriers","Potassium channels","ATP-binding cassette","Peptide receptor (family A GPCR)","Aspartic protease","Voltage-gated calcium channel","GABA-A receptor","Voltage-gated sodium channel"
,"5HT3 receptor","Cysteine protease","Ionotropic glutamate receptor","Nuclear hormone receptor subfamily 1","Metallo protease",Bromodomain,"Protein Kinase","SLC06 neurotransmitter transporter family",
"Voltage-gated potassium channel","ABCB subfamily","Short peptide receptor (family A GPCR)","Aspartic protease AA clan","Cysteine protease PAC clan","NMDA receptor","Nuclear hormone receptor subfamily
 1 group F","Cytochrome P450 family 2C","Inwardly rectifying potassium channel","Metallo protease MAE clan","Lipid-like ligand receptor (family A GPCR)","Atypical protein kinase group","Two-pore domai
n potassium channel","SLC18 family of vesicular amine transporters","Serotonin receptor","Histamine receptor","Opioid receptor","Aspartic protease A2A subfamily","Adrenergic receptor","Cysteine protea
se C3A subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C19","Metallo protease M34 family","Cholecystokinin receptor","Leukotriene receptor","Prostanoid receptor","
Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP3 family","CYP1 family","CYP2 family: drug metabolising subset","Dopamine receptors","Acetylcholine receptors (muscarinic)","Ion 
channels","Other protein targets",Transporters,"Voltage-gated ion channels","Sigma receptors","ATP-binding cassette transporter family","Ligand-gated ion channels","Nuclear hormone receptors","SLC sup
erfamily of solute carriers","Eicosanoid turnover","Kinases (EC 2.7.x.x)","5-Hydroxytryptamine receptors","Potassium channels","ABCB subfamily","Histamine receptors",Adrenoceptors,"Voltage-gated calci
um channels","GABA<sub>A</sub> receptors","Opioid receptors","Voltage-gated sodium channels","5-HT<sub>3</sub> receptors","Ionotropic glutamate receptors","1F. Retinoic acid-related orphans","SLC6 neu
rotransmitter transporter family","Cholecystokinin receptors","Leukotriene receptors",Lipoxygenases,"Prostanoid receptors",Atypical,"SLC18 family of vesicular amine transporters","Voltage-gated potass
ium channels","Monoamine transporter subfamily","Inwardly rectifying potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Two P domain potassium channels","FRAP subfami
ly"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Metabolism of lipids","Biological oxidations","Infectious disease","Signaling by GPCR","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I -
 Functionalization of compounds","Leishmania infection","GPCR ligand binding","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival
","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of maresins",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Biosynthesis of m
aresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","Dopamine receptors","Muscarinic acety
lcholine receptors","Neuronal System","Muscle contraction","Developmental Biology",Hemostasis,"Immune System","Gene expression (Transcription)","Cellular responses to external stimuli","Potassium Chan
nels","Cardiac conduction","Nervous system development","Transmission across Chemical Synapses","Platelet activation","signaling and aggregation","Abacavir transport and metabolism","Cytokine Signalin
g in Immune system","RNA Polymerase II Transcription","Disorders of transmembrane transporters","Cellular responses to stress","Diseases of signal transduction by growth factor receptors and second me
ssengers","Voltage gated Potassium channels","SARS-CoV Infections","Metabolism of steroids","Phase 3 - rapid repolarisation","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmi
ssion","GPCR downstream signalling","Platelet Aggregation (Plug Formation)","Abacavir transmembrane transport","Signaling by Interleukins","Generic Transcription Pathway","SLC transporter disorders","
Uptake and actions of bacterial toxins","Neurotransmitter clearance","Cellular Senescence","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Oncogenic MAPK signaling","Tandem pore doma
in potassium channels","Neurotransmitter release cycle","Potential therapeutics for SARS","Bile acid and bile salt metabolism","NCAM signaling for neurite out-growth","GABA receptor activation","G alp
ha (i) signalling events","L1CAM interactions","Activation of NMDA receptors and postsynaptic events","Cholesterol biosynthesis","Interleukin-1 family signaling","Transcriptional regulation by RUNX3",
"Defective SLC6A2 causes orthostatic intolerance (OI)","Uptake and function of anthrax toxins","Serotonin clearance from the synaptic cleft","G alpha (q) signalling events","Defective SLC6A3 causes Pa
rkinsonism-dystonia infantile (PKDYS)","DNA Damage/Telomere Stress Induced Senescence","Biosynthesis of DPA-derived SPMs","Transcriptional Regulation by MECP2","Signaling by RAS mutants","Transcriptio
nal Regulation by TP53","TWIK related potassium channel (TREK)","Acetylcholine Neurotransmitter Release Cycle","Synthesis of bile acids and bile salts","NCAM1 interactions","Peptide ligand-binding rec
eptors","Opioid Signalling","Interaction between L1 and Ankyrins","Fatty acids","Post NMDA receptor activation events","Cholesterol biosynthesis via desmosterol","Interleukin-1 signaling","RUNX3 Regul
ates Immune Response and Cell Migration","GABA B receptor activation","Gastrin-CREB signalling pathway via PKC and MAPK","Formation of Senescence-Associated Heterochromatin Foci (SAHF)","Recycling of 
bile acids and salts","Biosynthesis of DPAn-3 SPMs","MECP2 regulates neuronal receptors and channels","Signaling downstream of RAS mutants","Eicosanoid ligand-binding receptors","Regulation of TP53 Ac
tivity","Serotonin receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Histamine receptors",Adrenoceptors,"G-protein activation","Tachykinin receptors bind tachykinins",
"CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Activation of GABAB receptors","LTC4-CYSLTR mediated IL4 production","B
iosynthesis of DPAn-3-derived protectins and resolvins","Prostanoid ligand receptors","Regulation of TP53 Expression and Degradation","Ras activation upon Ca2+ influx through NMDA receptor","Inhibitio
n  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Regulation of TP53 Degradation"}

> <broad_targets>
{DRD1,DRD2,DRD3,DRD4,DRD5,GRIN2B,HRH1,HTR1A,HTR1D,HTR2A,HTR2B,HTR7,KCNH1}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{haloperidol,52-86-8,52868,Haldol,Aloperidin,Serenace,Aloperidol,Brotopon,Eukystol,"Einalon S",Aloperidolo,Galoperidol,Halojust,Halopoidol,Serenase,Serenelfi,Ulcolind,Uliolind,Vesalium,Halopal,Linton,
Mixidol,Pernox,Sernas,Sernel,Dozic,Aldo,"Lealgin c",T0025,1500325,Prestw-115,Haloperidol,HALOPERIDOL}

> <pdid>
PD000252

> <targets>
{Dopamine Receptor}

> <classes>
{antidyskinetic,antipsychotic,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{3559}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 S   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3015   -2.2494    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0095   -6.0029    0.0000 C   0  0
   -0.0126   -7.5029    0.0000 C   0  0
   -1.3132   -8.2502    0.0000 C   0  0
   -1.3162   -9.7502    0.0000 N   0  0
   -2.6106   -7.4975    0.0000 C   0  0
   -2.6076   -5.9975    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11117

> <plate>
PLATE 003

> <well>
A7

> <supplier_cmpd_name>
Sulfalen

> <ctcr_id>
10941

> <supplier_cmpd_id>
T0026

> <smiles>
COc1nccnc1NS(=O)(=O)c1ccc(N)cc1

> <pd_targets>
{KMT2A,MEN1,FOLP}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Transferase,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"PABA antagonist"}

> <synonyms>
{SULFALENE,152-47-6,152476,Sulfametopyrazine,Sulfamethoxypyrazine,Sulfalen,Sulfamethopyrazine,4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide,4aminoN(3methoxypyrazin2yl)benzenesulfonamide,Kelfizin
e,Longum,Sulfapyrazinemethoxine,Sulfapyrazinemethoxyne,Kelfizin,Kelfizina,Polycidal,Dalysep,Sulfapyr,T0026}

> <pdid>
PD009861

> <targets>
{DHPS}

> <classes>
{Autophagy}

> <pubchem_cids>
{9047}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 17  0  0  0  0            999 V2000
   11.4894   -3.3822    0.0000 H   0  3
    8.9894   -3.3822    0.0000 Cl  0  5
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7601    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11118

> <plate>
PLATE 003

> <well>
A8

> <supplier_cmpd_name>
Procaine

> <ctcr_id>
3911

> <supplier_cmpd_id>
T0029

> <smiles>
[H+].[Cl-].CCN(CC)CCOC(=O)c1ccc(N)cc1

> <pd_targets>
{ALD,NFO,BLM,NPSR1,CYP2D6,CHRM1,TSHR,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,RYR2,RYR1,GRIN3A,HTR3A,SLC6A3,CHRNA2,KCNMA1,KCNMB1,KCNMB2,KCNMB3,KCNMB4,KCNN1,KCNN2,KCNN3,KCNN4,PLA2G
4A,ASPG,MAOA,MAOB,DNMT1,DNMT3A}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel",Transporter,"Epigenetic regulator",Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450","Voltage-gated ion channel","Ligand-gated ion channel","E
lectrochemical transporter",Oxidoreductase,Writer,Reader,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Voltage-gated sodium channel","Ryanodi
ne receptor","Ionotropic glutamate receptor","5HT3 receptor","SLC superfamily of solute carriers","Nicotinic acetylcholine receptor","DNA methyltransferase","Methyl-lysine/arginine binding protein","S
hort peptide receptor (family A GPCR)","Cytochrome P450 family 2D","Monoamine receptor","Glycohormone receptor","NMDA receptor","SLC06 neurotransmitter transporter family","Nicotinic acetylcholine rec
eptor alpha subunit","PWWP domain","Neuropeptide receptor","Cytochrome P450 2D6","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Cytochrome P450","Voltage-gated ion channels","Ligand-gated ion channels","SLC superfamily of solute carriers","Glyceropho
spholipid turnover","3.1.1.- Carboxylic Ester Hydrolases","2.1.1.- Methyltransferases","Neuropeptide S receptor","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","Glycopr
otein hormone receptors","Ryanodine receptors","Voltage-gated sodium channels","Ionotropic glutamate receptors","5-HT<sub>3</sub> receptors","SLC6 neurotransmitter transporter family","Nicotinic acety
lcholine receptors","Phospholipase A<sub>2</sub>","Monoamine transporter subfamily"}

> <pathway_reactome>
{"DNA Repair",Disease,Metabolism,"Signal Transduction","Muscle contraction","Developmental Biology","Neuronal System","Metabolism of proteins","DNA Double-Strand Break Repair","Infectious disease","Bi
ological oxidations","Signaling by GPCR","Cardiac conduction","Nervous system development","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Metabolism of amino acids 
and derivatives","Post-translational protein modification","Homology Directed Repair","Leishmania infection","Phase I - Functionalization of compounds","GPCR ligand binding","Ion homeostasis","Axon gu
idance","Neurotransmitter receptors and postsynaptic signal transmission","SLC transporter disorders","GPCR downstream signalling","Aspartate and asparagine metabolism",SUMOylation,"HDR through Homolo
gous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","L1CAM intera
ctions","Activation of NMDA receptors and postsynaptic events","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Acetylcholine binding and downstream events","G alpha (i) signalling e
vents","SUMO E3 ligases SUMOylate target proteins","HDR through Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Amine ligand-binding r
eceptors","Interaction between L1 and Ankyrins","Assembly and cell surface presentation of NMDA receptors","Postsynaptic nicotinic acetylcholine receptors","Opioid Signalling","SUMOylation of DNA meth
ylation proteins","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Muscarinic acetylcholine receptors","Highly calcium permeab
le postsynaptic nicotinic acetylcholine receptors","G-protein mediated events","Presynaptic phase of homologous DNA pairing and strand exchange","PLC beta mediated events","Ca-dependent events","phosp
ho-PLA2 pathway"}

> <broad_targets>
{CHRNA2,GRIN3A,HTR3A,KCNMA1,KCNMB1,KCNMB2,KCNMB3,KCNMB4,KCNN1,KCNN2,KCNN3,KCNN4,MAOA,MAOB,RYR1,RYR2,SCN10A,SLC6A3}

> <broad_moa>
{"HMGCR inhibitor"}

> <synonyms>
{"PROCAINE HYDROCHLORIDE",51-05-8,51058,"Procaine Hcl","2-(diethylamino)ethyl 4-aminobenzoate hydrochloride","2(diethylamino)ethyl 4aminobenzoate hydrochloride","Procaine (hydrochloride)",Allocaine,Sc
urocaine,"Novocaine hydrochloride",UNII-95URV01IDQ,UNII95URV01IDQ,"Benzoic acid",4-amino-,4amino,"2-(diethylamino)ethyl est","2(diethylamino)ethyl est",T0029,SAM002554920,1500504,Prestw-41,Procaine,CP
D000718771,"Procaine hydrochloride"}

> <pdid>
PD010059

> <targets>
{DNA/RNA Synthesis,Histone Demethylase}

> <classes>
{anesthetic (local),Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{5795,15939510,43833393,16057736,45489743}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    8.9990   -3.3752    0.0000 Cl  0  5
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  3
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -3.9051   -5.2503    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
    1.2911   -5.2504    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
M  CHG  2   1  -1  14   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11119

> <plate>
PLATE 003

> <well>
A9

> <supplier_cmpd_name>
Bupivacaine hydrochloride

> <ctcr_id>
3392

> <supplier_cmpd_id>
T0030

> <smiles>
[Cl-].CCCCN1CCCCC1C(=O)[NH2+]c2c(C)cccc2C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Bupivacaine HCL",18010-40-7,14252-80-3,Vivacaine,"Bupivacaine (hydrochloride)","1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride",Marcain,AH-2250,"Win 11,318",CHEBI:31322,"1-Buty
l-N-(2,6-dimethylphenyl)-2-piperidinecarboxamide monohydrochloride",Bloqueina,LAC-43,"(S)-Bupivacaine hydrochloride",Bicain,"Marcaine Spinal","1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hy
drochloride",SMR000058218,"(+-)-Bupivacaine hydrochloride","Bupivacaine hydrochloride (JAN)",WIN-11318,"MNarcaine hydrochloride","EINECS 241-917-8","14252-80-3 (HCl)","73360-54-0 (HCl.H2O)","Bupivacai
ne hydrochloride kit","LAC 43",SR-05000001874,"Bupivacaine hydrochloride anhydrous","levobupivacaine hydrochloride (anhydrous)","2',6'-Pipecoloxylidide, 1-butyl-, hydrochloride","SKY 0302",Prestwick_8
94,"2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride","2',6'-Pipecoloxylidide, 1-butyl-, monohydrochloride","AH 2250","Marcaine hydrochloride preservation free","(S)-Bupivac
aine HCl","bupivacain hydrochloride","Bupivacaine hydrochloride preservation free","Bupivacaine hydrochloride rs","bupivacaine monohydrochloride","Win 11318 HCl",SCHEMBL34374,MLS001361336,MLS002154259
,SPECTRUM1503818,"Bupivacaine-(d9) Hydrochloride",CHEMBL1200396,DTXSID0030877,CHEBI:77441,HY-B0405A,AOB6341,HMS1568N12,HMS1922I12,Pharmakon1600-01503818,"Bupivacaine hydrochloride (Marcain)",ACT04725,
BCP22697,BCP22708,"bupivacaine hydrochloride (anhydrous)",CCG-39367,MFCD00078956,NSC119660,NSC758631,s2454,AKOS015889322,BCP9000461,FD-0235,MCULE-5414144502,NSC-119660,NSC-758631,NCGC00095072-01,NCGC0
0095072-02,H875,ST013772,B3925,FT-0607564,FT-0623287,FT-0658830,FT-0663897,FT-0663899,SW197015-3,52B803,K-4565,J-011502,Q-100158,SR-05000001874-3,Q27888209,"1-butyl-2-piperidylformo-2',6'-xylidide hyd
rochloride","2',6'-Pipecoloxylidide, 1-butyl-, hydrochloride, (+-)-","2-Piperidinecarboxamide,6-dimethylphenyl)-, hydrochloride","1-butyl-2-((2,6-dimethylphenyl)carbamoyl)piperidinium chloride","N-(2,
6-dimethylphenyl)(1-butyl(2-piperidyl))carboxamide, chloride","rac-1-butyl-2-((2,6-dimethylphenyl)carbamoyl)piperidinium chloride","2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-,monohydroch
loride","rac-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride",15233-43-9,AKOS026749767,FT-0651247,S2454,1503818,Prestw-305,"Bupivacaine HCl","BUPIVACAINE HYDROCHLORIDE","Bupivacai
ne HCl","Bupivacaine hydrochloride"}

> <pdid>

> <targets>
{Others}

> <classes>
{"anesthetic (local)","GPCR & G Protein"}

> <pubchem_cids>
{49852290,43834309,64737,68509175}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 17  0  0  0  0            999 V2000
    8.9894   -3.3822    0.0000 Cl  0  5
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7601    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  3
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
M  CHG  2   1  -1  16   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11120

> <plate>
PLATE 003

> <well>
A10

> <supplier_cmpd_name>
Procainamide hydrochloride

> <ctcr_id>
787

> <supplier_cmpd_id>
T0018

> <smiles>
[Cl-].CCN(CC)CCNC(=O)c1ccc([NH3+])cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"procainamide hydrochloride","Procainamide Hcl",614-39-1,614391,"614 39 1",Pronestyl,Procanbid,Procapan,Procan,"Procainamide (hydrochloride)","4-amino-N-(2-(diethylamino)ethyl)benzamide hydrochloride
","4aminoN(2(diethylamino)ethyl)benzamide hydrochloride","4aminoN(2(diethylamino)ethyl)benzamide hydr",SAM002554928,1500503,Prestw-337,CPD000059079,"PROCAINAMIDE HYDROCHLORIDE","Procainamide hydrochlo
ride"}

> <pdid>

> <targets>
{}

> <classes>
{antiarrhythmic}

> <pubchem_cids>
{43833392,66068,44272299,657275}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  7  0  0  0  0            999 V2000
   10.2000    1.1254    0.0000 H   0  3
    7.7000    1.1254    0.0000 Cl  0  5
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    1.3000    2.2500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  5
    5.1992    0.0004    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  CHG  4   1   1   2  -1   4   1   9  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11121

> <plate>
PLATE 003

> <well>
A11

> <supplier_cmpd_name>
Betaine hydrochloride

> <ctcr_id>
2145

> <supplier_cmpd_id>
T0019

> <smiles>
[H+].[Cl-].C[N+](C)(C)CC([O-])=O

> <pd_targets>
{TSHR,AMPC,ALDH1A1,LMNA,BHMT,BHMT2}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein","Family A G protein-coupled receptor",Hydrolase,Oxidoreductase,Transferase,"Peptide receptor (family A GPCR)","Glycohormone receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Glycoprotein hormone receptors"}

> <pathway_reactome>
{Disease,Metabolism,"Cell Cycle","Infectious disease","Biological oxidations",Mitotic,"Leishmania infection","Phase I - Functionalization of compounds","M Phase","Leishmania parasite growth and surviv
al","Ethanol oxidation","Mitotic Metaphase and Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","ADORA2B mediated anti-inflammatory cytokines productio
n","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Betaine hydrochloride",590-46-5,590465,"590 46 5","Betaine chloride",Pluchine,Acinorm,Acipepsol,Acidin,"Aciventral forte","Lycine hydrochloride",Acidogeno,Achylin,Acidol,"Betaine HCl",Cystadane,ACID
INE,Acidol-Pepsin,AcidolPepsin,1503007,"BETAINE HYDROCHLORIDE"}

> <pdid>
PD009238

> <targets>
{}

> <classes>
{hepatoprotectant,hypolipaemic,antiarteriosclerotic}

> <pubchem_cids>
{11545,521862,5702209}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 11  0  0  0  0            999 V2000
    5.0987    0.7518    0.0000 Na  0  3
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -3.8976    0.7553    0.0000 O   0  5
   -2.5951    3.0031    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  3  1  0
  6 10  1  0
 10 11  1  0
 10 12  2  0
M  CHG  2   1   1  11  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11122

> <plate>
PLATE 003

> <well>
B2

> <supplier_cmpd_name>
Sodium 4-aminosalicylate dihydrate

> <ctcr_id>
3089

> <supplier_cmpd_id>
T0020

> <smiles>
[Na+].Nc1ccc(c(O)c1)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sodium 4-aminosalicylate","Sodium 4aminosalicylate",133-10-8,133108,"sodium 4-amino-2-hydroxybenzoate","sodium 4amino2hydroxybenzoate","Sodium p-aminosalicylate","Sodium paminosalicylate","AMINOSALI
CYLATE SODIUM","Sodium PAS",Bactylan,Sanipirol,Tubersan,Lepasen,"Pamisyl sodium","p-Aminosalicylic acid sodium salt","pAminosalicylic acid sodium salt",p-Am,pAm,T0020,1500116,"Sodium 4-aminosalicylate
 dihydrate"}

> <pdid>
PD002478

> <targets>
{}

> <classes>
{tuberculostatic,antibacterial}

> <pubchem_cids>
{2724368,102064255}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1981    1.4971    0.0000 C   0  0
   -5.1976    2.9979    0.0000 C   0  0
   -6.4959    3.7492    0.0000 Cl  0  0
   -3.8978   -0.7554    0.0000 C   0  0
   -5.1947   -1.5091    0.0000 C   0  0
   -5.1905   -3.0091    0.0000 C   0  0
   -3.8893   -3.7554    0.0000 C   0  0
   -2.5924   -3.0018    0.0000 C   0  0
   -2.5967   -1.5018    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 14 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 13 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11123

> <plate>
PLATE 003

> <well>
B3

> <supplier_cmpd_name>
Toremifene

> <ctcr_id>
4946

> <supplier_cmpd_id>
T0139

> <smiles>
CN(C)CCOc1ccc(cc1)\C(=C(\CCCl)c2ccccc2)c3ccccc3

> <pd_targets>
{SKA,PLIN5,LMNA,REP,PLIN1,GP,HNF4A,HTR6,ESR1,ESR2}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Unclassified protein","Membrane receptor","Transcription factor",Kinase,Transferase,"Family A G protein-coupled receptor","Nuclear receptor","Small molecule receptor (
family A GPCR)","Nuclear hormone receptor subfamily 3","Monoamine receptor","Nuclear hormone receptor subfamily 3 group A","Serotonin receptor","Nuclear hormone receptor subfamily 3 group A member 1"}

> <pathway_chembl>
{"Other protein targets",Receptors,"Anti-infective targets","Nuclear hormone receptors","G protein-coupled receptors","Viral protein targets","2A. Hepatocyte nuclear factor-4 receptors","5-Hydroxytryp
tamine receptors","Steroid hormone receptors","Coronavirus (CoV) proteins","3A. Estrogen receptors"}

> <pathway_reactome>
{"Cell Cycle",Disease,Metabolism,"Gene expression (Transcription)",Mitotic,"Infectious disease","Metabolism of lipids","RNA Polymerase II Transcription","M Phase","SARS-CoV Infections","Triglyceride m
etabolism","Generic Transcription Pathway","Leishmania infection","Mitotic Metaphase and Anaphase","SARS-CoV-2 Infection","Triglyceride catabolism","Nuclear Receptor transcription pathway","SARS-CoV-1
 Infection","Leishmania parasite growth and survival","Transcriptional regulation by RUNX1","Mitotic Anaphase","SARS-CoV-2 Genome Replication and Transcription","SARS-CoV-1 Genome Replication and Tran
scription","Anti-inflammatory response favouring Leishmania parasite infection","RUNX1 regulates estrogen receptor mediated transcription","Nuclear Envelope (NE) Reassembly","Replication of the SARS-C
oV-2 genome","Replication of the SARS-CoV-1 genome","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ESR1}

> <broad_moa>
{"estrogen receptor antagonist","selective estrogen receptor modulator (SERM)"}

> <synonyms>
{"RESTW 119",toremifene,Farestone,89778-26-7,89778267,"89778 26 7",Toremifeno,Toremifenum,UNII-7NFE54O27T,UNII7NFE54O27T,"UNII 7NFE54O27T",GTx-006,GTx006,"GTx 006",Z-Toremifene,ZToremifene,"Z Toremife
ne","(2-(4-(4-Chloro-1,2-diphenyl-but-1-enyl)-phenoxy)-ethyl)-dimethyl-amine","(2(4(4Chloro1,2diphenylbut1enyl)phenoxy)ethyl)dimethylamine","(2 (4 (4 Chloro 1,2 diphenyl but 1 enyl) phenoxy) ethyl) di
methyl amine",7NFE54O27T,CHEBI:9635,"Toremifenum (Latin)","Toremifeno (Spanish)",89778-26-,8977826,"89778 26",T0139,Prestw-1197,Toremifene}

> <pdid>
PD009971

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3005573}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    4.2566    0.5871    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.6120   -3.9767    0.0000 O   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    6.4451   -1.8434    0.0000 C   0  0
    4.8089   -4.6669    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  3 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13  2  1  0
 13 14  1  0
 12 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11124

> <plate>
PLATE 003

> <well>
B4

> <supplier_cmpd_name>
4-Aminoantipyrine

> <ctcr_id>
4390

> <supplier_cmpd_id>
T0050

> <smiles>
CN1N(c2ccccc2)C(=O)C(=C1C)N

> <pd_targets>
{TGR,PTGS1,PTGS2}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Arachidonic acid metabolism","Biosynthesis of DPA-derived SPMs","Synthesis of Pr
ostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of DPAn-3 SPMs"}

> <broad_targets>
{}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{4-Aminoantipyrine,4Aminoantipyrine,AMPYRONE,83-07-8,83078,Metapirazone,4-Aminophenazone,4Aminophenazone,Aminoantipyrin,Aminoantipyrine,Aminoazophene,4-Aminoantipyrene,4Aminoantipyrene,Solvapyrin-A,So
lvapyrinA,Solnapyrin-A,SolnapyrinA,Aminoazophenazone,4-AAP,4AAP,"4-Amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one","4Amino2,3dimethyl1phenyl3pyrazolin5one",3H-Pyrazol-3-one,3HPyrazol3one,T0050,Prestw-1
81,Ampyrone}

> <pdid>
PD000692

> <targets>
{COX,Drug Metabolite}

> <classes>
{Immunology/Inflammation,Metabolic Enzyme/Protease}

> <pubchem_cids>
{2151}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  6  5  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 N   0  0
    5.1992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11125

> <plate>
PLATE 003

> <well>
B5

> <supplier_cmpd_name>
Urethane

> <ctcr_id>
4936

> <supplier_cmpd_id>
T0051

> <smiles>
CCOC(N)=O

> <pd_targets>
{ALOX15}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover",Lipoxygenases}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DPA-derived SPMs","Biosynthesis of DPAn-3 SPMs","Biosynthesis of DPAn-3-derived protecti
ns and resolvins"}

> <broad_targets>
{}

> <broad_moa>
{"local anesthetic"}

> <synonyms>
{6533-EP2274983A1,6533EP2274983A1,urethane,"ETHYL CARBAMATE",51-79-6,51796,Urethan,Ethylurethane,"Carbamic acid, ethyl ester","Carbamic acid ethyl ester","Ethyl urethane",Ethylcarbamate,Pracarbamine,L
eucethane,Pracarbamin,"Ethyl urethan",O-Ethylurethane,OEthylurethane,U-Compound,UCompound,Aeth,T0051,1503304,Urethane,URETHANE}

> <pdid>
PD001002

> <targets>
{}

> <classes>
{cytotoxic,antineoplastic}

> <pubchem_cids>
{5641}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 55 60  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5998    1.4986    0.0000 C   0  0
   -3.8983    0.7460    0.0000 C   0  0
   -3.8989   -0.7540    0.0000 C   0  0
   -5.1982   -1.5035    0.0000 C   0  0
   -6.4970   -0.7530    0.0000 C   0  0
   -6.4964    0.7470    0.0000 C   0  0
   -5.1971    1.4965    0.0000 C   0  0
   -2.6013    2.9994    0.0000 C   0  0
   -1.3046    3.7535    0.0000 C   0  0
   -1.3092    5.2535    0.0000 C   0  0
   -2.6105    5.9995    0.0000 C   0  0
   -2.6152    7.4995    0.0000 Cl  0  0
   -3.9073    5.2455    0.0000 C   0  0
   -3.9027    3.7455    0.0000 C   0  0
   16.7819   -1.1290    0.0000 O   0  0
   16.7793    0.3710    0.0000 C   0  0
   18.0773    1.1228    0.0000 O   0  0
   15.4780    1.1187    0.0000 C   0  0
   15.4780    2.6187    0.0000 C   0  0
   14.1790    3.3687    0.0000 C   0  0
   14.1790    4.8687    0.0000 C   0  0
   12.8799    5.6187    0.0000 C   0  0
   11.5809    4.8687    0.0000 C   0  0
   11.5809    3.3687    0.0000 C   0  0
   12.8799    2.6187    0.0000 C   0  0
   12.8799    1.1187    0.0000 C   0  0
   11.5817    0.3656    0.0000 C   0  0
   11.5839   -1.1352    0.0000 C   0  0
   12.8855   -1.8808    0.0000 C   0  0
   13.7498   -1.3778    0.0000 O   0  0
   12.8907   -3.3808    0.0000 C   0  0
   11.5943   -4.1353    0.0000 C   0  0
   10.2926   -3.3898    0.0000 C   0  0
    8.9962   -4.1442    0.0000 C   0  0
    7.6946   -3.3987    0.0000 C   0  0
    7.6894   -1.8987    0.0000 C   0  0
    8.9858   -1.1443    0.0000 C   0  0
   10.2875   -1.8898    0.0000 C   0  0
   14.1915   -4.1294    0.0000 C   0  0
   15.4893   -3.3771    0.0000 O   0  0
   14.1946   -5.6294    0.0000 O   0  0
   14.1790    0.3687    0.0000 C   0  0
   14.1790   -0.6313    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 10 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 13 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 41 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 40  1  0
 50 45  1  0
 43 51  1  0
 51 52  1  0
 51 53  2  0
 38 54  2  0
 54 30  1  0
 54 55  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11126

> <plate>
PLATE 003

> <well>
B6

> <supplier_cmpd_name>
Hydroxyzine Pamoate

> <ctcr_id>
78

> <supplier_cmpd_id>
T0053

> <smiles>
OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3.OC(=O)c4cc5ccccc5c(Cc6c(O)c(cc7ccccc67)C(O)=O)c4O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{10246-75-0,10246750,"10246 75 0","Hydroxyzine (pamoate)","Hydroxyzine embonate",MLS000028605,Bobsule,Equipose,Masmoran,Paxisitil,SMR000058728,"Hydroxyzine pamoate salt","Atarax P",SR-01000003149,SR01
000003149,"SR 01000003149","EINECS 233-582-1","EINECS 2335821","EINECS 233 582 1","Hydroxyzine pamoat",T0053,1500345,"Hydroxyzine Pamoate","HYDROXYZINE PAMOATE"}

> <pdid>

> <targets>
{}

> <classes>
{anxiolytic,antihistaminic}

> <pubchem_cids>
{54740721,25096}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 15  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 N   0  0
    2.5969   -1.5008    0.0000 C   0  0
    1.2968   -2.2490    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 S   0  0
    5.2000    0.0000    0.0000 S   0  0
    6.5000    0.7500    0.0000 S   0  0
    7.7999    0.0000    0.0000 C   0  0
    7.7999   -1.5000    0.0000 S   0  0
    9.0999    0.7500    0.0000 N   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6992    0.7496    0.0000 C   0  0
    9.1030    2.2508    0.0000 C   0  0
   10.4031    2.9990    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11127

> <plate>
PLATE 003

> <well>
B7

> <supplier_cmpd_name>
Disulfiram

> <ctcr_id>
91

> <supplier_cmpd_id>
T0054

> <smiles>
CCN(CC)C(=S)SSC(=S)N(CC)CC

> <pd_targets>
{MGLL,ALDH1A1,NFKB1,PYK,FTL,EHMT2,CYP2C19,RORC,FFP,AGTR1,THPO,PTBP1,CYP2C9,GMNN,ALOX15,GSDMD,CCR4,ALDH2,KMT2A,MAPT,ALD,LEF,CHRM1,TP53,ABHD5,PLIN1,LMNA,APLNR,PMP22,HPGD,NPSR1,CYP3A4,REP,EHMT1,PKM,KDM5A
,CASP1,HSD17B10,HSP90AA1,HTR1B,HTT,ALOX12,MAPK3,AMPC,G6PD-6PGL,PLIN5,CYP1A2,LOX,GLMU,LOXL3,ADRA2A,DRD2,DRD4,ADORA3,CCR2,CCR5,DRD3,OPRK1,LOXL2,TRPA1,CXCR2,HTR2B,HTR6,MTOR,ADRA2B,SLC6A2,MAOA,OPRM1,LOXL4
,SLC6A3,DBH,FAAH}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Unclassified protein","Epigenetic regulator","Transcription factor","Membrane receptor","Other nuclear protein","Ion channel",Transporter,Hydrolase,Oxidoreductase,Tr
ansferase,Protease,Writer,"Cytochrome P450","Nuclear receptor","Family A G protein-coupled receptor",Reader,Eraser,Kinase,"Voltage-gated ion channel","Electrochemical transporter","Cysteine protease",
"Protein methyltransferase","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)",Bromodomain,"Metallo protease","Small molecule receptor (family A GPCR)
","Cytochrome P450 family 3","Lysine demethylase","Protein Kinase","Cytochrome P450 family 1","Transient receptor potential channel","SLC superfamily of solute carriers","Cysteine protease CA clan","C
ytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Chemokine receptor","Metallo protease MAE clan","Monoamine receptor","Cytochrome P450
 family 3A","Jumonji domain-containing","Cysteine protease CD clan","CMGC protein kinase group","Cytochrome P450 family 1A","Nucleotide-like receptor (family A GPCR)","Atypical protein kinase group","
SLC06 neurotransmitter transporter family","Cysteine protease C1A family","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Angiotensin receptor","Cytochrome P450 2C9","C
C chemokine receptor","Metallo protease M34 family","Acetylcholine receptor","Neuropeptide receptor","Cytochrome P450 3A4","Cysteine protease C14 family","Serotonin receptor","CMGC protein kinase MAPK
 family","Cytochrome P450 1A1","Adrenergic receptor","Dopamine receptor","Adenosine receptor","Opioid receptor","CXC chemokine receptor","Atypical protein kinase PIKK family","CMGC protein kinase ERK1
","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Ion channels",Transporters,"Peptidases and proteinases","Chromatin modifying enzymes","Cytochrome P450","Nuclear hormone receptors","G protein-coupled recep
tors","Eicosanoid turnover","1.-.-.- Oxidoreductases","Anti-infective targets","2.7.1.40 Pyruvate kinases","Heat shock proteins","Kinases (EC 2.7.x.x)","1.4.3.13 Lysyl oxidases","Voltage-gated ion cha
nnels","SLC superfamily of solute carriers","Catecholamine turnover","Endocannabinoid turnover","SC: Serine (S) Peptidases","2.1.1.43 Histone methyltransferases (HMTs)","CYP2 family: drug metabolising
 subset","1F. Retinoic acid-related orphans","Angiotensin receptors",Lipoxygenases,"Chemokine receptors","Acetylcholine receptors (muscarinic)","Apelin receptor","Prostaglandin synthases","Neuropeptid
e S receptor","CYP3 family","Viral protein targets","1.14.11.- Histone demethylases","CD: Cysteine (C) Peptidases","5-Hydroxytryptamine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1
 family",Adrenoceptors,"Dopamine receptors","Adenosine receptors","Opioid receptors","Transient Receptor Potential channels",Atypical,"SLC6 neurotransmitter transporter family","<i>N</i>-Acylethanolam
ine turnover","S33: Prolyl aminopeptidase","Coronavirus (CoV) proteins","C14: Caspase","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family"
,"Monoamine transporter subfamily","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Vesicle-mediated transport","Gene expression (Transcription)","Signal Transduction",Hemostasis,"Cell Cycle","Neuronal System",Disease,"Developmental Biology","Chromatin or
ganization","Extracellular matrix organization","Transport of small molecules","Metabolism of lipids","Biological oxidations","Cytokine Signaling in Immune system","Membrane Trafficking","RNA Polymera
se II Transcription","Signaling by GPCR","Platelet activation","signaling and aggregation","Signaling by Receptor Tyrosine Kinases",Mitotic,"Innate Immune System","Transmission across Chemical Synapse
s","Infectious disease","Cell Cycle Checkpoints","Nervous system development","Metabolism of carbohydrates","Chromatin modifying enzymes","Metabolism of amino acids and derivatives","Collagen formatio
n","Ion channel transport","Disorders of transmembrane transporters","Phospholipid metabolism","Phase I - Functionalization of compounds","Signaling by Interleukins","trans-Golgi Network Vesicle Buddi
ng","Generic Transcription Pathway","GPCR ligand binding","Platelet Aggregation (Plug Formation)","Signaling by FGFR","Mitotic G1 phase and G1/S transition","Biosynthesis of specialized proresolving m
ediators (SPMs)","Neutrophil degranulation","Neurotransmitter clearance","Neurotransmitter receptors and postsynaptic signal transmission","Uptake and actions of bacterial toxins","G1/S DNA Damage Che
ckpoints","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Leishmania infection","SARS-CoV Infections","Glucose metabolism","HDMs demethylate histones","Branched-chain amino
 acid catabolism","Mitotic G2-G2/M phases","Triglyceride metabolism","Toll-like Receptor Cascades","Assembly of collagen fibrils and other multimeric structures","HIV Infection","Stimuli-sensing chann
els","SLC transporter disorders","GPCR downstream signalling","Metabolism of amine-derived hormones","Fatty acid metabolism","Glycerophospholipid biosynthesis","Ethanol oxidation","Interleukin-1 famil
y signaling","Golgi Associated Vesicle Biogenesis","Transcriptional Regulation by TP53","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX3","Class A/1 (Rhodopsin-like 
receptors)","Signaling by FGFR2","G1/S Transition","Biosynthesis of DPA-derived SPMs","Serotonin clearance from the synaptic cleft","Transcriptional regulation by RUNX1","Activation of NMDA receptors 
and postsynaptic events","Uptake and function of anthrax toxins","p53-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Leishmania parasite gro
wth and survival","SARS-CoV-2 Infection",Glycolysis,"G2/M Transition","Triglyceride catabolism","Transcriptional Regulation by MECP2","Toll Like Receptor 5 (TLR5) Cascade","Crosslinking of collagen fi
brils","HIV Life Cycle","TRP channels","Defective SLC6A2 causes orthostatic intolerance (OI)","Amine Oxidase reactions","G alpha (i) signalling events","Defective SLC6A3 causes Parkinsonism-dystonia i
nfantile (PKDYS)","Catecholamine biosynthesis","Arachidonic acid metabolism","Acyl chain remodeling of DAG and TAG","Interleukin-1 signaling","Regulation of TP53 Activity",Xenobiotics,"RUNX3 Regulates
 Immune Response and Cell Migration","Peptide ligand-binding receptors","FGFR2 alternative splicing","Activation of the pre-replicative complex","Biosynthesis of DPAn-3 SPMs","Metabolism of serotonin"
,"RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Post NMDA receptor activation events","Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response",
"Mitotic Anaphase","Biosynthesis of D-series resolvins","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","SARS-CoV-2 Genome Replication and Transcription
","TP53 Regulates Transcription of Cell Death Genes","Centrosome maturation","Regulation of MECP2 expression and activity","MyD88 cascade initiated on plasma membrane","Nucleotide-like (purinergic) re
ceptors","Early Phase of HIV Life Cycle","MECP2 regulates neuronal receptors and channels","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Opioid Signalling","MAP3K8 (TPL2)
-dependent MAPK1/3 activation","Regulation of TP53 Activity through Methylation","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","Chemokine receptors bind chemokines","Act
ivation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","Stabilization of p53","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosynth
esis of maresin-like SPMs","Replication of the SARS-CoV-2 genome","TP53 Regulates Transcription of Caspase Activators and Caspases","Loss of proteins required for interphase microtubule organization f
rom the centrosome","Serotonin receptors","Biosynthesis of DPAn-3-derived maresins","MAP kinase activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2",Adrenoceptors,"Dopamine r
eceptors","Adenosine P1 receptors","Binding and entry of HIV virion","Regulation of TP53 Expression and Degradation","G-protein activation","Autodegradation of the E3 ubiquitin ligase COP1","Initiatio
n of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inac
tivated"}

> <broad_targets>
{ALDH2,DBH}

> <broad_moa>
{"aldehyde dehydrogenase inhibitor","DNA methyltransferase inhibitor","TRPV agonist"}

> <synonyms>
{disulfiram,"Tetraethylthiuram disulfide",97-77-8,97778,Antabuse,Antabus,"Bis(diethylthiocarbamoyl) disulfide",Alcophobin,Anticol,Esperal,Teturam,TETD,Dicupral,Exhorran,Hoca,Ethyldithiurame,Abstensil,
Antaethyl,Antietanol,Antivitium,Contralin,Tetradi,T0054,SAM001247028,1500262,Prestw-97,Disulfiram,CPD000059171,DISULFIRAM}

> <pdid>
PD002360

> <targets>
{Aldehyde Dehydrogenase (ALDH),Interleukin Related,Pyroptosis}

> <classes>
{alcohol antagonist,Apoptosis,Immunology/Inflammation,Metabolic Enzyme/Protease}

> <pubchem_cids>
{3117}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    9.1353   -8.2250    0.0000 O   0  0
    7.8326   -7.4814    0.0000 C   0  0
    7.8242   -5.9806    0.0000 C   0  0
    9.1193   -5.2238    0.0000 O   0  0
    6.5208   -5.2365    0.0000 C   0  0
    6.5125   -3.7357    0.0000 O   0  0
    5.2090   -2.9917    0.0000 C   0  0
    3.9139   -3.7485    0.0000 O   0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 Cl  0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  2  0
 26 16  1  0
 26 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11128

> <plate>
PLATE 003

> <well>
B8

> <supplier_cmpd_name>
Glafenine

> <ctcr_id>
2546

> <supplier_cmpd_id>
T0055

> <smiles>
OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23

> <pd_targets>
{HPGD,CYP3A4,ALDH1A1,HSD17B10,KDM4E,MAPK1,AMPC,ABCB11,PTGS1,PTGS2}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transporter,Protease,"Cytochrome P450",Oxidoreductase,Eraser,Kinase,Hydrolase,"Primary active transporter","Cysteine protease","Cytochrome P450 family 3","Lysine demethy
lase","Protein Kinase","ATP-binding cassette","Cysteine protease CA clan","Cytochrome P450 family 3A","Jumonji domain-containing","CMGC protein kinase group","ABCB subfamily","Cysteine protease C1A fa
mily","Cytochrome P450 3A4","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,"Eicosanoid turnover","Cytochrome P450","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Prostaglandin synthases","CYP3 family","1.
14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Metabolism of lipids","Biological oxidations","Metabolism of amino acids and derivatives","Innate Immune System","Biosynthesis of specialized proresolving mediators (SPMs)
","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Metabolism of steroids","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Toll 
Like Receptor 5 (TLR5) Cascade","Bile acid and bile salt metabolism","Biosynthesis of D-series resolvins","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","Synthesis of bile aci
ds and bile salts","Biosynthesis of maresin-like SPMs","MAP kinase activation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear events mediated by MAP kina
ses","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CFTR}

> <broad_moa>
{"DeltaF508-CFTR Correctors"}

> <synonyms>
{glafenine,Glaphenine,3820-67-5,3820675,"3820 67 5",Glafenin,Glycerylaminophenaquine,Glaphenin,Glicafan,Glifanan,Glifan,Glafenina,Glafeninum,"2,3-Dihydroxypropyl 2-((7-chloroquinolin-4-yl)amino)benzoa
te","2,3Dihydroxypropyl 2((7chloroquinolin4yl)amino)benzoate",2,"3Dihydroxypropyl 2((7chloroquinolin4yl)",T0055,T0055L,1500996,Glafenine,"Glafenine Hydrochloride",GLAFENINE}

> <pdid>
PD001516

> <targets>
{Others}

> <classes>
{analgesic,Others}

> <pubchem_cids>
{3474}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 36  0  0  0  0            999 V2000
   15.5980   -1.5041    0.0000 C   0  0
   14.2989   -0.7541    0.0000 C   0  0
   12.9987   -1.5037    0.0000 N   0  0
   12.9952   -3.0045    0.0000 C   0  0
   11.6948   -3.7523    0.0000 C   0  0
   11.6990   -0.7533    0.0000 C   0  0
   10.3987   -1.5029    0.0000 C   0  0
    9.0990   -0.7525    0.0000 O   0  0
    7.7988   -1.5020    0.0000 C   0  0
    6.4990   -0.7516    0.0000 C   0  0
    5.1988   -1.5012    0.0000 O   0  0
    3.8990   -0.7508    0.0000 C   0  0
    3.8995    0.7492    0.0000 O   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0012    0.0000 C   0  0
    3.4639   -3.5020    0.0000 C   0  0
    3.9225   -2.2677    0.0000 C   0  0
    3.9213   -3.2677    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   12.9023   -4.8871    0.0000 O   0  0
   12.9023   -6.3871    0.0000 C   0  0
   11.6030   -7.1367    0.0000 O   0  0
   14.2023   -7.1371    0.0000 C   0  0
   15.5023   -6.3871    0.0000 C   0  0
   16.8009   -7.1380    0.0000 O   0  0
   15.5037   -4.8863    0.0000 C   0  0
   16.8037   -4.1363    0.0000 C   0  0
   18.1023   -4.8871    0.0000 O   0  0
   16.8051   -2.6363    0.0000 O   0  0
   15.5035   -7.9171    0.0000 C   0  0
   14.6377   -8.4175    0.0000 O   0  0
   16.8027   -8.6669    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 14 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 29 35  1  0
 35 36  1  0
 35 37  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11129

> <plate>
PLATE 003

> <well>
B9

> <supplier_cmpd_name>
Oxeladin citrate

> <ctcr_id>
3012

> <supplier_cmpd_id>
T0056

> <smiles>
CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"oxeladin citrate",52432-72-1,52432721,"Oxeladin (citrate)","Oxeladin citrate salt","Oxeladin Hydrogen Citrate","2-(2-Diethylaminoethoxy)ethyl alpha,alpha-diethylphenylacetate","2(2Diethylaminoethoxy
)ethyl alpha,alphadiethylphenylacetate",C20H33NO3.C6H8O7,Oxeladindihydrogencitrat,DSSTox_CID_26608,DSSToxCID26608,DSSTox-CID-26608,"DSSTox CID 26608",DSSTox_RI,DSSToxRI,DSSTox-RI,"DSSTox RI",T0056,S44
02,"Oxeladin citrate","Oxeladin Citrate"}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{9936727,40384}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    4.5110   -9.9571    0.0000 C   0  0
    4.2083   -8.4880    0.0000 C   0  0
    2.7845   -8.0160    0.0000 C   0  0
    5.3273   -7.4917    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.5408   -5.3899    0.0000 N   0  0
    6.8439   -3.9208    0.0000 C   0  0
    7.5445   -6.5046    0.0000 N   0  0
    9.0370   -6.3477    0.0000 C   0  0
    9.7454   -5.0311    0.0000 C   0  0
   11.2447   -4.9870    0.0000 C   0  0
   12.0326   -6.2635    0.0000 C   0  0
   11.3211   -7.5840    0.0000 C   0  0
    9.8217   -7.6281    0.0000 C   0  0
    6.7945   -7.8036    0.0000 C   0  0
    7.4046   -9.1739    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 20 27  1  0
 27  4  1  0
 27 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11130

> <plate>
PLATE 003

> <well>
B10

> <supplier_cmpd_name>
Famprofazone

> <ctcr_id>
6746

> <supplier_cmpd_id>
T0057

> <smiles>
CC(C)C1=C(CN(C)C(C)Cc2ccccc2)N(C)N(c3ccccc3)C1=O

> <pd_targets>
{LMNA,CYP2D6,AMPC,CYP2C9,TSHR,NR1I2,CYP3A4,CYP2C19,IMPA1}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Membrane receptor","Transcription factor","Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor","Nuclear receptor","Cytochrome P450 family 2","Peptide rece
ptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Glycohormone receptor","Nuclear hormone receptor subfam
ily 1 group I","Cytochrome P450 family 3A","Cytochrome P450 2D6","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 3A4","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Nuclear hormone receptors","Inositol phosphate turnover","CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","1
I. Vitamin D receptor-like receptors","CYP3 family","Inositol monophosphatase"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,"Metabolism of proteins",Mitotic,"Biological oxidations","Infectious disease","Post-translational protein modification","Metabolism of lipids","Inositol phosphate meta
bolism","M Phase","Phase I - Functionalization of compounds","Leishmania infection",SUMOylation,"Biosynthesis of specialized proresolving mediators (SPMs)","Synthesis of IP2",IP,"and Ins in the cytoso
l","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DHA-derived SP
Ms","Mitotic Anaphase",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","SUMOylation of intracellular receptors","Biosynthesis of maresins","Nuclear Envelope (NE) Reass
embly","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{22881-35-2,22881352,Famprofazon,Famprofazonum,C24H31N3O,DSSTox_CID_25435,DSSToxCID25435,DSSTox-CID-25435,"DSSTox CID 25435",DSSTox_RID_80877,DSSToxRID80877,DSSTox-RID-80877,"DSSTox RID 80877",DSSTox_
GSID_45435,DSSToxGSID45435,DSSTox-GSID-45435,"DSSTox GSID 45435",Famprofazona,Geodowin,"Famprofazone (INN:BAN)","Famprofazonum (INN-Latin)","Famprofazonum (INNLatin)","Famprofazona (INN-Spanish)","Fam
profazona (INNSpanish)",SR-01000838884,SR01000838884,"EINECS 245",T0057,Prestw-703,Famprofazone}

> <pdid>
PD000283

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3326}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3032   -3.7490    0.0000 O   0  0
    1.2947   -3.7531    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11131

> <plate>
PLATE 003

> <well>
B11

> <supplier_cmpd_name>
Anovigam

> <ctcr_id>
10945

> <supplier_cmpd_id>
T0058

> <smiles>
CCOc1ccccc1C(=O)N

> <pd_targets>
{LEF}

> <pathway_gtopdb>
{Enzyme,Protease,"Metallo protease","Metallo protease MAE clan","Metallo protease M34 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Infectious disease","Uptake and actions of bacterial toxins","Uptake and function of anthrax toxins"}

> <broad_targets>
{}

> <broad_moa>
{"analgesic agent"}

> <synonyms>
{2-ETHOXYBENZAMIDE,2ETHOXYBENZAMIDE,ethenzamide,938-73-8,938738,o-Ethoxybenzamide,oEthoxybenzamide,"Benzamide, 2-ethoxy-","Benzamide, 2ethoxy",Ethbenzamide,Etenzamide,Ethenzamid,Anovigam,Lucamide,Etam
ide,Ethosalicyl,Etosalicil,Etosalicyl,Katagrippe,Pirosolvina,Protopyrin,Trancalgyl,Etocil,Eusal,Benzamide,o,T0058}

> <pdid>
PD001114

> <targets>
{COX,Others}

> <classes>
{Immunology/Inflammation,Neuroscience,Others}

> <pubchem_cids>
{3282}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 23  0  0  0  0            999 V2000
    7.5987   -0.0061    0.0000 H   0  3
    5.0987   -0.0061    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -3.8964   -0.7553    0.0000 C   0  0
   -5.1931   -1.5094    0.0000 C   0  0
   -5.1885   -3.0094    0.0000 C   0  0
   -3.8871   -3.7554    0.0000 C   0  0
   -2.5904   -3.0014    0.0000 C   0  0
   -2.5951   -1.5014    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 11 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11132

> <plate>
PLATE 003

> <well>
C2

> <supplier_cmpd_name>
Diphenylpyraline hydrochloride

> <ctcr_id>
1265

> <supplier_cmpd_id>
T0059

> <smiles>
[H+].[Cl-].CN1CCC(CC1)OC(c2ccccc2)c3ccccc3

> <pd_targets>
{CYP2D6,SLC6A3,HRH1,AMPC,MAPK1}

> <pathway_gtopdb>
{Enzyme,Transporter,"Membrane receptor","Cytochrome P450","Electrochemical transporter","Family A G protein-coupled receptor",Hydrolase,Kinase,"Cytochrome P450 family 2","SLC superfamily of solute car
riers","Small molecule receptor (family A GPCR)","Protein Kinase","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","Monoamine receptor","CMGC protein kinase group","Cytochrome P
450 2D6","Histamine receptor","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Cytochrome P450","SLC superfamily of solute carriers","G protein-coupled receptors","Kinases (EC 2.7.x.x)","CYP2 family: drug metabolising subset","SLC6 neurotransmitt
er transporter family","Histamine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Monoamine transporter subfamily","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Immune System","Biological oxidations","Disorders of transmembrane transporters","Signaling by GPCR","Innate Immune System","Phase I - Functionalization of c
ompounds","SLC transporter disorders","GPCR ligand binding","Toll-like Receptor Cascades","Cytochrome P450 - arranged by substrate type","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS
)","Class A/1 (Rhodopsin-like receptors)","Toll Like Receptor 5 (TLR5) Cascade",Xenobiotics,"Amine ligand-binding receptors","MyD88 cascade initiated on plasma membrane","CYP2E1 reactions","Histamine 
receptors","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{HRH1,SLC6A3}

> <broad_moa>
{"dopamine reuptake inhibitor"}

> <synonyms>
{CHEBI:31508,"4-(diphenylmethoxy)-1-methylpiperidine, chloride","4(diphenylmethoxy)1methylpiperidine, chloride","1-Methyl-4-piperidyl benzhydryl ether hydrochloride","1Methyl4piperidyl benzhydryl ethe
r hydrochloride","4-(Diphenylmethoxy)-1-methylpiperidine hydrochloride","4(Diphenylmethoxy)1methylpiperidine hydrochloride",SBB057419,AKOS025116945,MCULE-1496893365,MCULE1496893365,4-(diphe,4(diphe,15
00258,Prestw-707,"DIPHENYLPYRALINE HYDROCHLORIDE","Diphenylpyraline hydrochloride"}

> <pdid>
PD009779

> <targets>
{}

> <classes>
{antihistaminic}

> <pubchem_cids>
{43833355,66063,45382238}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 95 96  0  0  0  0            999 V2000
    2.2847   -3.9278    0.0000 C   0  0
    1.3812   -5.1252    0.0000 N   0  3
   -0.1084   -4.9423    0.0000 C   0  0
   -1.0136   -6.1384    0.0000 C   0  0
   -0.4303   -7.5204    0.0000 O   0  0
   -2.5020   -5.9526    0.0000 C   0  0
   -3.4072   -7.1487    0.0000 O   0  0
   -3.0853   -4.5706    0.0000 C   0  0
   -4.5742   -4.3816    0.0000 C   0  0
   -5.4826   -5.5753    0.0000 O   0  0
   -2.1802   -3.3745    0.0000 O   0  0
   -0.6917   -3.5604    0.0000 C   0  0
    0.2115   -2.3617    0.0000 O   0  0
   -0.3741   -0.9798    0.0000 C   0  0
   -1.8276   -0.6646    0.0000 C   0  0
   -1.9605    0.8295    0.0000 O   0  0
   -0.5805    1.4175    0.0000 C   0  0
   -0.2452    2.8796    0.0000 C   0  0
    0.4052    0.2869    0.0000 C   0  0
    1.2409   -0.9587    0.0000 O   0  0
    1.0191    1.6422    0.0000 C   0  0
    2.5093    1.8132    0.0000 O   0  0
   -2.9513   -1.6555    0.0000 O   0  0
   -4.3741   -1.1778    0.0000 C   0  0
   -4.6748    0.2918    0.0000 C   0  0
   -3.5525    1.2869    0.0000 O   0  0
   -6.0978    0.7663    0.0000 C   0  0
   -6.3984    2.2358    0.0000 O   0  0
   -7.2202   -0.2289    0.0000 C   0  0
   -8.6449    0.2429    0.0000 N   0  0
   -9.7665   -0.7543    0.0000 C   0  0
   -9.4634   -2.2234    0.0000 N   0  0
  -11.1905   -0.2828    0.0000 N   0  3
   -6.9196   -1.6984    0.0000 C   0  0
   -8.0420   -2.6935    0.0000 O   0  0
   -5.4966   -2.1729    0.0000 C   0  0
   -5.1929   -3.6427    0.0000 N   0  0
   -6.3132   -4.6413    0.0000 C   0  0
   -7.7373   -4.1702    0.0000 N   0  0
   -6.0097   -6.1103    0.0000 N   0  3
   18.5747   -3.9278    0.0000 C   0  0
   17.6712   -5.1252    0.0000 N   0  3
   16.1816   -4.9423    0.0000 C   0  0
   15.2764   -6.1384    0.0000 C   0  0
   15.8597   -7.5204    0.0000 O   0  0
   13.7879   -5.9526    0.0000 C   0  0
   12.8828   -7.1487    0.0000 O   0  0
   13.2047   -4.5706    0.0000 C   0  0
   11.7158   -4.3816    0.0000 C   0  0
   10.8074   -5.5753    0.0000 O   0  0
   14.1098   -3.3745    0.0000 O   0  0
   15.5983   -3.5604    0.0000 C   0  0
   16.5015   -2.3617    0.0000 O   0  0
   15.9159   -0.9798    0.0000 C   0  0
   14.4624   -0.6646    0.0000 C   0  0
   14.3295    0.8295    0.0000 O   0  0
   15.7094    1.4175    0.0000 C   0  0
   16.0448    2.8796    0.0000 C   0  0
   16.6952    0.2869    0.0000 C   0  0
   17.5309   -0.9587    0.0000 O   0  0
   17.3090    1.6422    0.0000 C   0  0
   18.7993    1.8132    0.0000 O   0  0
   13.3386   -1.6555    0.0000 O   0  0
   11.9159   -1.1778    0.0000 C   0  0
   11.6152    0.2918    0.0000 C   0  0
   12.7375    1.2869    0.0000 O   0  0
   10.1922    0.7663    0.0000 C   0  0
    9.8916    2.2358    0.0000 O   0  0
    9.0698   -0.2289    0.0000 C   0  0
    7.6450    0.2429    0.0000 N   0  0
    6.5235   -0.7543    0.0000 C   0  0
    6.8266   -2.2234    0.0000 N   0  0
    5.0995   -0.2828    0.0000 N   0  3
    9.3704   -1.6984    0.0000 C   0  0
    8.2480   -2.6935    0.0000 O   0  0
   10.7934   -2.1729    0.0000 C   0  0
   11.0971   -3.6427    0.0000 N   0  0
    9.9768   -4.6413    0.0000 C   0  0
    8.5527   -4.1702    0.0000 N   0  0
   10.2803   -6.1103    0.0000 N   0  3
   22.6887   -0.5740    0.0000 O   0  5
   22.6887   -2.0740    0.0000 S   0  0
   22.6887   -3.5740    0.0000 O   0  5
   21.3894   -2.8236    0.0000 O   0  0
   23.9880   -2.8236    0.0000 O   0  0
   27.7887   -0.5740    0.0000 O   0  5
   27.7887   -2.0740    0.0000 S   0  0
   27.7887   -3.5740    0.0000 O   0  5
   26.4894   -2.8236    0.0000 O   0  0
   29.0879   -2.8236    0.0000 O   0  0
   32.8886   -0.5740    0.0000 O   0  5
   32.8886   -2.0740    0.0000 S   0  0
   32.8886   -3.5740    0.0000 O   0  5
   31.5894   -2.8236    0.0000 O   0  0
   34.1879   -2.8236    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12  3  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 14  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 15 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 29 34  1  0
 34 35  1  0
 34 36  1  0
 36 24  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  2  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 49 50  1  0
 48 51  1  0
 51 52  1  0
 52 43  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 57 59  1  0
 59 54  1  0
 59 60  1  0
 59 61  1  0
 61 62  2  0
 55 63  1  0
 63 64  1  0
 64 65  1  0
 65 66  1  0
 65 67  1  0
 67 68  1  0
 67 69  1  0
 69 70  1  0
 70 71  1  0
 71 72  1  0
 71 73  2  0
 69 74  1  0
 74 75  1  0
 74 76  1  0
 76 64  1  0
 76 77  1  0
 77 78  1  0
 78 79  1  0
 78 80  2  0
 81 82  1  0
 82 83  1  0
 82 84  2  0
 82 85  2  0
 86 87  1  0
 87 88  1  0
 87 89  2  0
 87 90  2  0
 91 92  1  0
 92 93  1  0
 92 94  2  0
 92 95  2  0
M  CHG  8   2   1  33   1  40   1  42   1  73   1  80   1  81  -1  83  -1
M  CHG  4  86  -1  88  -1  91  -1  93  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11133

> <plate>
PLATE 003

> <well>
C3

> <supplier_cmpd_name>
Streptomycin sulfate

> <ctcr_id>
2495

> <supplier_cmpd_id>
T0060

> <smiles>
C[NH2+]C1C(O)C(O)C(CO)OC1OC2C(OC(C)C2(O)C=O)OC3C(O)C(O)C(NC(N)=[NH2+])C(O)C3NC(N)=[NH2+].C[NH2+]C4C(O)C(O)C(CO)OC4OC5C(OC(C)C5(O)C=O)OC6C(O)C(O)C(NC(N)=[NH2+])C(O)C6NC(N)=[NH2+].[O-][S]([O-])(=O)=O.[O
-][S]([O-])(=O)=O.[O-][S]([O-])(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Streptomycin sulfate",3810-74-0,3810740,CHEMBL4575480,S2572}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{44134949,520882}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2973   -2.2519    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
  2 12  1  0
 12 13  1  0
 12 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11134

> <plate>
PLATE 003

> <well>
C4

> <supplier_cmpd_name>
Clofibric acid

> <ctcr_id>
832

> <supplier_cmpd_id>
T0061

> <smiles>
CC(C)(Oc1ccc(Cl)cc1)C(O)=O

> <pd_targets>
{PPARA,CYP1A2,FABP2,CYP3A4,KMT2A,MEN1,AMPC,CYP2D6,MAPT}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Auxiliary transport protein","Epigenetic regulator","Other cytosolic protein","Nuclear receptor","Cytochrome P450","Fatty acid binding protein family",Reader,Hydrolase,
"Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","Cytochrome P450 family 3",Bromodomain,"Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1 group C","Cytochrome P450 fami
ly 1A","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group C member 1","Cytochrome P450 1A1","Cytochrome P450 3A4","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Cytochrome P450","Fatty acid-binding proteins","1C. Peroxisome proliferator-activated receptors","CYP1 family","CYP3 family","CY
P2 family: drug metabolising subset"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Metabolism of lipids","Biological oxidations","Transmission across Chemical Synapses","Metabolism of steroids","Phase I - Functionalization of compounds","Triglyceride m
etabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Cyto
chrome P450 - arranged by substrate type","Triglyceride catabolism","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Activation of gene expression by SREBF (S
REBP)",Xenobiotics,"Biosynthesis of maresins","Post NMDA receptor activation events","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","CYP2E1 reac
tions","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{PPARA}

> <broad_moa>
{"PPAR receptor agonist"}

> <synonyms>
{RESTW78,"clofibric acid",882-09-7,882097,"2-(4-Chlorophenoxy)-2-methylpropanoic acid","2(4Chlorophenoxy)2methylpropanoic acid","Chlorofibrinic acid",Clofibrin,"Clofibrinic acid","2-(4-CHLOROPHENOXY)-
2-METHYLPROPIONIC ACID","2(4CHLOROPHENOXY)2METHYLPROPIONIC ACID","Chlorfibrinic acid",PCIB,"Chlorophibrinic acid",2-(4-Chlorophenoxy)isobutyr,2(4Chlorophenoxy)isobutyr,T0061,1500195,Prestw-783,"Clofib
ric acid","CLOFIBRIC ACID"}

> <pdid>
PD002414

> <targets>
{}

> <classes>
{antihyperlipoproteinemic}

> <pubchem_cids>
{2797}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 33  0  0  0  0            999 V2000
   15.1876   -4.1268    0.0000 H   0  3
   12.6876   -4.1268    0.0000 H   0  3
   10.1876   -4.1268    0.0000 Cl  0  5
    7.6876   -4.1268    0.0000 Cl  0  5
    2.5608  -12.0027    0.0000 O   0  0
    2.5691  -10.5028    0.0000 C   0  0
    3.8725   -9.7587    0.0000 C   0  0
    3.8808   -8.2579    0.0000 N   0  0
    5.1824   -7.5124    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5976   -6.0017    0.0000 F   0  0
    0.0003   -6.0004    0.0000 F   0  0
   -1.2983   -6.7508    0.0000 F   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 15  1  0
 28 23  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
 11 33  1  0
 33 34  1  0
 34  8  1  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11135

> <plate>
PLATE 003

> <well>
C5

> <supplier_cmpd_name>
Fluphenazine hydrochloride

> <ctcr_id>
1797

> <supplier_cmpd_id>
T0068

> <smiles>
[H+].[H+].[Cl-].[Cl-].OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1

> <pd_targets>
{RORC,UBE2N,RAD52,LMNA,MAPT,RECQL,NPSR1,TIM10,GAA,GLA,MAPK1,GMNN,CYP3A4,NFO,KMT2A,MEN1,PMP22,ADRA2C,HTR7,SCN1A,SCN2A,SCN3A,NFKB1,CYP2D6,CYP1A2,ADRA1A,HRH1,DRD2,ADCY1,ADCY2,ADCY3,ADCY4,ADCY5,ADCY6,ADCY
8,HTR2C,HTR6,HTR2A,ATP2A1,TPR,AR,ADRA2A,DRD3,S,ALB,CHRM1,TP53,PDR5,ADRA1B,SIGMAR1,LEF,THPO,HTR1B,CHRM2,DRD4,ADRA2B,CHRM3,ABCB11,FFP,DRD5,HTR1A,KCNK2,REP,ADRA1D,ADRB3,HRH2,HTR2B,TACR2,ABCB1,ADORA3,SLC6
A3,SLC6A2,OPRK1,MTOR,OPRD1,OPRM1,KCNH2,EGFR,ERBB2,SLC6A4,MC5R,CHRM4,FYN,CALM1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other nuclear protein","Other cytosolic protein","Membrane receptor","Unclassified protein","Epigenetic regulator","Ion channel",Transporter,"Secreted protein","Nuclear
 receptor",Aminoacyltransferase,"Family A G protein-coupled receptor",Hydrolase,Kinase,"Cytochrome P450",Reader,"Voltage-gated ion channel",Lyase,"Primary active transporter",Oxidoreductase,Protease,T
ransferase,"Electrochemical transporter","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Protein Kinase","Cytochrome P450 family 3",Bromodomain,"Small molecule receptor (fam
ily A GPCR)","Voltage-gated sodium channel","Cytochrome P450 family 2","Cytochrome P450 family 1","P-type ATPase","Nuclear hormone receptor subfamily 3","Metallo protease","ATP-binding cassette","Pota
ssium channels","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","CMGC protein kinase group","Cytochrome P450 family 3A","Mo
noamine receptor","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Calcium ATPase","Nuclear hormone receptor subfamily 3 group C","Metallo protease MAE clan","ABCB subfamily","Two-pore domain 
potassium channel","Nucleotide-like receptor (family A GPCR)","SLC06 neurotransmitter transporter family","Atypical protein kinase group","Voltage-gated potassium channel","TK protein kinase group","N
uclear hormone receptor subfamily 1 group F member 3","Neuropeptide receptor","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Adrenergic receptor","Serotonin receptor","Cytochrome P450 2D6","
Cytochrome P450 1A1","Histamine receptor","Dopamine receptor","Nuclear hormone receptor subfamily 3 group C member 4","Acetylcholine receptor","Metallo protease M34 family","Neurokinin receptor","Aden
osine receptor","Opioid receptor","Atypical protein kinase PIKK family","Tyrosine protein kinase EGFR family","Melanocortin receptor","Tyrosine protein kinase Src family","CMGC protein kinase ERK1","A
typical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Other protein targets","Ion channels","Nuclear hormone receptors","G protein-coupled receptors","3.2.1.- Glycosidases","Kinases (EC 2.7.x.x)","Cytochrome P450","P-type
 ATPases","Sigma receptors","Anti-infective targets","ATP-binding cassette transporter family","Voltage-gated ion channels","SLC superfamily of solute carriers","Catalytic receptors","1F. Retinoic aci
d-related orphans","Neuropeptide S receptor","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family",Adrenoceptors,"5-Hydroxytryptamine receptors","CYP2 family: drug metabolising subset","CYP1 f
amily","Histamine receptors","Dopamine receptors","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","Steroid hormone receptors","Acetylcholine receptors (muscarinic)","Viral protein targets","ABCB subfami
ly","Potassium channels","Tachykinin receptors","Adenosine receptors","SLC6 neurotransmitter transporter family","Opioid receptors",Atypical,"Receptor kinases","Melanocortin receptors","Mitogen-activa
ted protein kinases (MAP kinases)","3C. 3-Ketosteroid receptors","Coronavirus (CoV) proteins","Two P domain potassium channels","Monoamine transporter subfamily","Phosphatidyl inositol 3' kinase-relat
ed kinases (PIKK) family","Voltage-gated potassium channels","TK: Tyrosine kinase","ERK subfamily","FRAP subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I R
TKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","DNA Repair","Cell Cycle","Neuronal System",Disease,Metabolism,"Developmental Biology","Signal Transduction",Hemostasis,"Muscle contraction","RNA Pol
ymerase II Transcription","Innate Immune System","DNA Double-Strand Break Repair",Mitotic,"Transmission across Chemical Synapses","Infectious disease","Diseases of metabolism","Metabolism of lipids","
Nervous system development","Signaling by GPCR","Cytokine Signaling in Immune system","Biological oxidations","Platelet homeostasis","Cell Cycle Checkpoints","Platelet activation","signaling and aggre
gation","Potassium Channels","Abacavir transport and metabolism","Disorders of transmembrane transporters","Cardiac conduction","Generic Transcription Pathway","Toll-like Receptor Cascades","Homology 
Directed Repair","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","Diseases of carbohydrate metabolism","Sphingolipid metabolism","Mitotic G1 phase an
d G1/S transition","Biosynthesis of specialized proresolving mediators (SPMs)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","Signaling by Interleukins","Phase
 I - Functionalization of compounds","Platelet calcium homeostasis","Metabolism of steroids","G1/S DNA Damage Checkpoints","SARS-CoV Infections","Uptake and actions of bacterial toxins","Platelet Aggr
egation (Plug Formation)","Tandem pore domain potassium channels","Abacavir transmembrane transport","SLC transporter disorders","GPCR downstream signalling","Phase 3 - rapid repolarisation","Axon gui
dance","Neurotransmitter clearance","HIV Infection","Transcriptional regulation by RUNX3","Toll Like Receptor 4 (TLR4) Cascade","HDR through Homologous Recombination (HRR) or Single Strand Annealing (
SSA)","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Leishmania parasite growth and survival","Glycogen storage diseases","Glycosphingolipid metabolism","Toll
 Like Receptor 5 (TLR5) Cascade","G1/S Transition","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Interleukin-1 family signaling","Cytochrome P450 - arranged by substrate t
ype","Reduction of cytosolic Ca++ levels","Transcriptional regulation by RUNX2","Bile acid and bile salt metabolism","p53-Dependent G1/S DNA damage checkpoint","Potential therapeutics for SARS","SARS-
CoV-1 Infection","Uptake and function of anthrax toxins","TWIK related potassium channel (TREK)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Defective SLC6A2 causes orthostatic 
intolerance (OI)","Transcriptional Regulation by MECP2","Transcriptional Regulation by TP53","G alpha (i) signalling events","G alpha (q) signalling events","Semaphorin interactions","Serotonin cleara
nce from the synaptic cleft","Host Interactions of HIV factors","RUNX3 Regulates Immune Response and Cell Migration","MyD88-independent TLR4 cascade","HDR through Single Strand Annealing (SSA)","Mitot
ic Anaphase","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania parasite infection","Glycogen storage disease type II (GAA)","MyD88 cascade initiated on plasma mem
brane","Activation of the pre-replicative complex","Biosynthesis of maresins","Amine ligand-binding receptors","Interleukin-1 signaling",Xenobiotics,"RUNX2 regulates bone development","Recycling of bi
le acids and salts","p53-Dependent G1 DNA Damage Response","Translation of structural proteins","Synthesis of bile acids and bile salts","SARS-CoV-1 Genome Replication and Transcription","Peptide liga
nd-binding receptors","Nucleotide-like (purinergic) receptors","MECP2 regulates neuronal receptors and channels","Regulation of TP53 Activity","Opioid Signalling","Gastrin-CREB signalling pathway via 
PKC and MAPK","Sema4D in semaphorin signaling","The role of Nef in HIV-1 replication and disease pathogenesis","TRIF(TICAM1)-mediated TLR4 signaling","Nuclear Envelope (NE) Reassembly","Activation of 
AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Biosynthesis of maresin-like SPMs",Adrenoceptors,"MAP3K8 (TPL2)-dependent MAPK1/3 activati
on","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Histamine receptors","Dopamine receptors","Serotonin receptors","RUNX2 regulates osteoblast differentiation",
"Muscarinic acetylcholine receptors","Stabilization of p53","Maturation of spike protein","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Replication of the SARS-CoV-1 genome",
"Tachykinin receptors bind tachykinins","Adenosine P1 receptors","Regulation of TP53 Expression and Degradation","G-protein activation","EGFR Transactivation by Gastrin","Sema4D induced cell migration
 and growth-cone collapse","Nef and signal transduction","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","IKK complex recruitment mediated by RIP1","Initiation of Nu
clear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","Ras activation upon Ca2+ inf
lux through NMDA receptor","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CALM1,DRD1,DRD2,DRD5,HRH1,HTR2A,HTR6,HTR7}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{AKOS024366260,MCULE-5539512526,MCULE5539512526,"MCULE 5539512526",ST50999687,"Fluphenazine dihydrochloride","Fluphenazine hydrochloride",146-56-5,146565,"146 56 5",Prolixin,Anatensol,Moditen,Permitil
,"Fluphenazine (dihydroch",S4569,Prestw-320,"Fluphenazine (dihydrochloride)"}

> <pdid>
PD009883

> <targets>
{Dopamine Receptor}

> <classes>
{GPCR & G Protein,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{43834425,67356,71777408}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  8  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11136

> <plate>
PLATE 003

> <well>
C6

> <supplier_cmpd_name>
Uracil

> <ctcr_id>
10947

> <supplier_cmpd_id>
T0069

> <smiles>
O=c1[nH]ccc(=O)[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{2-Hydroxy-4(3H)-pyrimidinone,2Hydroxy4(3H)pyrimidinone,"SQ 6201","SQ 7726","SQ 8493","1,2,3,4-tetrahydropyrimidine-2,4-dione","1,2,3,4tetrahydropyrimidine2,4dione","BMS 205603-01","BMS 20560301",AI3-
25470,AI325470,UNII-56HH86ZVCT,UNII56HH86ZVCT,"NSC 3970",MFCD00006016,"2,4-Pyrimidinediol (9CI)","2,4Pyrimidinediol (9CI)",Uracil-5-d,Uracil5d,2-Hydroxy-4(1H)-pyrimidinone,2Hydroxy4(1H)pyrimidinone,CH
EBI:17568,py,T1310,T0069,Deracil,Uracil}

> <pdid>
PD001670

> <targets>
{RNA,Endogenous Metabolite}

> <classes>
{Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{1174}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -6.4971    0.7454    0.0000 N   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -9.0975    0.7432    0.0000 C   0  0
  -10.3966    1.4932    0.0000 C   0  0
  -10.3966    2.9932    0.0000 C   0  0
   -9.0976    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
  -11.6948    3.7462    0.0000 C   0  0
  -12.9952    2.9984    0.0000 O   0  0
  -11.6927    5.2470    0.0000 N   0  0
  -12.9910    6.0001    0.0000 C   0  0  1  0  0  0
  -12.9889    7.5009    0.0000 C   0  0
  -14.2871    8.2539    0.0000 C   0  0
  -14.2850    9.7548    0.0000 C   0  0
  -12.9847   10.5025    0.0000 O   0  0
  -15.5825   10.5074    0.0000 O   0  0
  -14.2936    5.2546    0.0000 C   0  0
  -14.2987    3.7546    0.0000 O   0  0
  -15.5902    6.0086    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  2  0
 17 19  1  0
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 20 26  1  0
 26 27  1  0
 26 28  2  0
  8 29  2  0
 29 30  1  0
 30 31  2  0
 31  6  1  0
 31 32  1  0
 32  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11137

> <plate>
PLATE 003

> <well>
C7

> <supplier_cmpd_name>
Folic acid

> <ctcr_id>
1200

> <supplier_cmpd_id>
T0062

> <smiles>
NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2N1

> <pd_targets>
{GAA,TSHR,DFRA17,KDM4E,ALDH1A1,ALD,POLB,KMT2A,MEN1,HSD17B10,HPGD,TDP1,SLCO1A3,TYMS,FOLR3,FOLR2,GLA}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator",Transporter,Hydrolase,"Family A G protein-coupled receptor",Oxidoreductase,Eraser,Reader,"Electrochemical transporter",Transferase,"Peptide receptor 
(family A GPCR)","Lysine demethylase",Bromodomain,"SLC superfamily of solute carriers","Glycohormone receptor","Jumonji domain-containing","SLC21/SLCO family of organic anion transporting polypeptides
"}

> <pathway_chembl>
{Enzymes,Receptors,"3.2.1.- Glycosidases","G protein-coupled receptors","Chromatin modifying enzymes","Eicosanoid turnover","2.1.1.- Methyltransferases","Glycoprotein hormone receptors","1.14.11.- His
tone demethylases","Prostaglandin synthases"}

> <pathway_reactome>
{Disease,Metabolism,"DNA Repair","Cell Cycle","Immune System","Diseases of metabolism","Infectious disease","Biological oxidations","Base Excision Repair","Metabolism of amino acids and derivatives","
Metabolism of lipids","DNA Double-Strand Break Repair",Mitotic,"Innate Immune System","Metabolism of vitamins and cofactors","Diseases of carbohydrate metabolism","Leishmania infection","Phase I - Fun
ctionalization of compounds","Resolution of Abasic Sites (AP sites)","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Nonhomologous End-Joining (NHEJ
)","Mitotic G1 phase and G1/S transition","Neutrophil degranulation","Metabolism of water-soluble vitamins and cofactors","Sphingolipid metabolism","Glycogen storage diseases","Leishmania parasite gro
wth and survival","Ethanol oxidation","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Biosynthesis of DHA-derived SPMs","G1/S Transition","Metabolism of folate and pter
ines","Glycosphingolipid metabolism","Glycogen storage disease type II (GAA)","Anti-inflammatory response favouring Leishmania parasite infection","PCNA-Dependent Long Patch Base Excision Repair","Bio
synthesis of D-series resolvins","G1/S-Specific Transcription","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{FOLR2,FOLR3,SLC19A1,SLC46A1}

> <broad_moa>
{"folate receptor ligand"}

> <synonyms>
{Prestw-627,Prestw627,"Folic acid","FOLIC ACID",SAM002264616,T0062,1502020,CPD000471860}

> <pdid>
PD001427

> <targets>
{DNA/RNA Synthesis,Endogenous Metabolite}

> <classes>
{hematopoietic vitamin,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease}

> <pubchem_cids>
{6037}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  1  0            999 V2000
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0  1  0  0  0
    2.6000   -1.5000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0  2  0  0  0
    5.2000    0.0000    0.0000 C   0  0
    6.4992    0.7496    0.0000 C   0  0
    3.9000    2.2500    0.0000 C   0  0
    1.3000    2.2500    0.0000 O   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  1
  1  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11138

> <plate>
PLATE 003

> <well>
C8

> <supplier_cmpd_name>
isoleucine

> <ctcr_id>
10948

> <supplier_cmpd_id>
T0063

> <smiles>
C(=O)([C@@H](N)[C@H](CC)C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{l-isoleucine,lisoleucine,Isoleucine,73-32-5,73325,"(2S,3S)-2-Amino-3-methylpentanoic acid","(2S,3S)2Amino3methylpentanoic acid",(S)-Isoleucine,(S)Isoleucine,H-Ile-OH,HIleOH,"(S,S)-Isoleucine","(S,S)I
soleucine","2S,3S-Isoleucine","2S,3SIsoleucine",L-(+)-Isoleucine,L(+)Isoleucine,"2-Amino-3-methylvaleric acid","2Amino3methylvaleric acid",erythro-L-Isoleucine,erythroLIsoleucine,L-Ile,LIle,"alpha-Ami
no-beta-methylvaleric ac","alphaAminobetamethylvaleric ac",T0063,isoleucine}

> <pdid>
PD008458

> <targets>
{"Amino Acids and Derivatives"}

> <classes>
{Others}

> <pubchem_cids>
{6306}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11139

> <plate>
PLATE 003

> <well>
C9

> <supplier_cmpd_name>
Acetaminophen

> <ctcr_id>
2187

> <supplier_cmpd_id>
T0065

> <smiles>
CC(=O)Nc1ccc(O)cc1

> <pd_targets>
{CA13,ALOX5AP,CA2,ALDH1A1,PTGS2,CA1,CA12,CA3,MAPT,CA9,CYP1A1,ALOX15,CA15,KMT2A,MEN1,CA7,MB,TSHR,CYP3A4,CA14,CA4,PTGS1,TRPV1,FAAH,PTGES3}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Unclassified protein","Membrane receptor","Ion channel",Lyase,Oxidoreductase,"Cytochrome P450",Reader,"Family A G protein-coupled receptor","V
oltage-gated ion channel",Hydrolase,"Cytochrome P450 family 1",Bromodomain,"Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Transient receptor potential channel","Cytochrome P450 family 
1A","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 1A1","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Carbonic anhydrases","Eicosanoid turnover","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","Endocannabinoid turnover",Cyclooxygenase,"CY
P1 family",Lipoxygenases,"Glycoprotein hormone receptors","CYP3 family","Transient Receptor Potential channels","<i>N</i>-Acylethanolamine turnover","Prostaglandin synthases"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Immune System","Neuronal System","Cellular responses to external stimuli",Disease,"Reversible hydration of carbon dioxide","Metabolism of lipids","O2/CO2 ex
change in erythrocytes","Biological oxidations","Cytokine Signaling in Immune system","Transmission across Chemical Synapses","Cellular responses to stress","Intracellular oxygen transport","Infectiou
s disease","Ion channel transport","Fatty acid metabolism","Erythrocytes take up carbon dioxide and release oxygen","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving
 mediators (SPMs)","Signaling by Interleukins","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","Leishmania infection","Stimuli-sensing channels","Cellu
lar response to heat stress","Arachidonic acid metabolism","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","Interleukin-12 family signaling","Activation of NMDA receptors and postsynaptic event
s","Regulation of gene expression by Hypoxia-inducible Factor","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","TRP channels
","HSF1-dependent transactivation","Synthesis of 5-eicosatetraenoic acids","Biosynthesis of DPAn-3 SPMs","Interleukin-12 signaling","Post NMDA receptor activation events",Xenobiotics,"Anti-inflammator
y response favouring Leishmania parasite infection","Biosynthesis of maresins","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Attenuation phase","Gene and protein expression by JAK-STAT sig
naling after Interleukin-12 stimulation","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflammatory cytokines production","
Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{FAAH,PTGS1,PTGS2,TRPV1}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{acetaminophen,Paracetamol,4-Acetamidophenol,4Acetamidophenol,103-90-2,103902,N-(4-Hydroxyphenyl)acetamide,N(4Hydroxyphenyl)acetamide,Tylenol,APAP,Panadol,Acetaminofen,Datril,N-Acetyl-p-aminophenol,NA
cetylpaminophenol,p-Hydroxyacetanilide,pHydroxyacetanilide,4'-Hydroxyacetanilide,4'Hydroxyacetanilide,p-Acetamidophenol,pAcetamidophenol,Algotropyl,Lonarid,Naprinol,p-Acet,pAcet,T0065,1500101,Prestw-8
68,Acetaminophen,ACETAMINOPHEN}

> <pdid>
PD002492

> <targets>
{COX,Endogenous Metabolite,Histone Acetyltransferase}

> <classes>
{analgesic,antipyretic,Epigenetics,Immunology/Inflammation,Metabolic Enzyme/Protease}

> <pubchem_cids>
{1983}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -5.1985   -2.9860    0.0000 Cl  0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0127   -6.0039    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11140

> <plate>
PLATE 003

> <well>
C10

> <supplier_cmpd_name>
Dichlorophen

> <ctcr_id>
1944

> <supplier_cmpd_id>
T0066

> <smiles>
Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O

> <pd_targets>
{HIF1A,RORC,CYP3A4,CASP1,HSPD1,HSPE1,MAPT,FFP,FTL,ALOX12,IDO1,USP2,HSP90AA1,GROES,GROL,LEF,HPGD,BLM,LMNA,HTT,KMT2A,MEN1,ALOX15,SLC22A1,HSPA5}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other cytosolic protein","Unclassified protein","Other nuclear protein","Epigenetic regulator",Transporter,"Nuclear receptor","Cytochrome P450",Protease,Transferase,Oxi
doreductase,Reader,"Electrochemical transporter","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cysteine protease","Metallo protease",Bromodomain,"SLC superfamily of solute carrier
s","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cysteine protease CD clan","Cysteine protease CA clan","Metallo protease MAE clan","SLC22 family of organic cation and an
ion transporters","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cysteine protease C14 family","Cysteine protease C19 family","Metallo protease M34 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Nuclear hormone receptors","Cytochrome P450","Peptidases and proteinases","Eicosanoid turnover","1.13.11.- Dioxygenases","Heat shock proteins",
"SLC superfamily of solute carriers","1F. Retinoic acid-related orphans","CYP3 family","CD: Cysteine (C) Peptidases",Lipoxygenases,"CA: Cysteine (C) Peptidases","Prostaglandin synthases","SLC22 family
 of organic cation and anion transporters","C14: Caspase","C19: Ubiquitin-specific protease","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Gene expression (Transcription)",Metabolism,"Neuronal System","Vesicle-mediated transport","Cell Cycle",Disease,"DNA Repair","Transport of small molecules","
Cellular responses to stress","RNA Polymerase II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","Membrane Trafficking","Metabolism of amino acids and derivatives",Mitoti
c,"Infectious disease","DNA Double-Strand Break Repair","SLC-mediated transmembrane transport","Cellular response to hypoxia","Generic Transcription Pathway","Biosynthesis of specialized proresolving 
mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Tryptophan catabolism","Mitotic G2-G2/M phases","Uptake and actions of bacter
ial toxins","Homology Directed Repair","M Phase","Transport of bile salts and organic acids","metal ions and amine compounds","Cellular response to heat stress","Oxygen-dependent proline hydroxylation
 of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Transcriptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events"
,"Golgi Associated Vesicle Biogenesis","Biosynthesis of DPA-derived SPMs","G2/M Transition","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Anneali
ng (SSA)","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Organic cation/anion/zwitterion transport","Regulation of HSF1-mediated heat shock response","RUNX3 Regulates Immune R
esponse and Cell Migration","Biosynthesis of maresins","TP53 Regulates Transcription of Cell Death Genes","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","Regulation of TP53 Activ
ity","Centrosome maturation","Biosynthesis of D-series resolvins","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Regulation of MECP2 expression and activity","Organic cation transpor
t","Biosynthesis of maresin-like SPMs","TP53 Regulates Transcription of Caspase Activators and Caspases","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived maresins","Regulation
 of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassem
bly","Biosynthesis of DPAn-3-derived protectins and resolvins","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","Presynaptic phase of homologous DNA pairing and strand exchange"
,"Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"anticestodal agent"}

> <synonyms>
{dichlorophene,97-23-4,97234,"2,2'-Methylenebis(4-chlorophenol)","2,2'Methylenebis(4chlorophenol)",Dichlorofen,Dichlorphen,Didroxan,Didroxane,Trivex,Anthiphen,Antiphen,Cordocel,Dicestal,Difentan,Embep
hen,Panacide,Prevental,Taeniatol,Teniathane,Teniatol,Teniotol,Vermith,T0066,1500626,DICHLOROPHENE,Dichlorophen}

> <pdid>
PD001712

> <targets>
{}

> <classes>
{anthelmintic}

> <pubchem_cids>
{3037}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 N   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 N   0  0
    0.0102   -7.5017    0.0000 C   0  0
    1.3123   -8.2482    0.0000 C   0  0
    1.3177   -9.7490    0.0000 C   0  0
    2.6197  -10.4955    0.0000 N   0  0
    2.6252  -11.9963    0.0000 C   0  0
    1.3274  -12.7485    0.0000 C   0  0
    1.3298  -14.2485    0.0000 C   0  0
    0.0320  -15.0006    0.0000 O   0  0
    2.6300  -14.9964    0.0000 N   0  0
    2.6325  -16.4964    0.0000 C   0  0
    3.9279  -14.2443    0.0000 C   0  0
    5.2281  -14.9922    0.0000 O   0  0
    3.9254  -12.7443    0.0000 N   0  0
    5.2233  -11.9922    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 17  1  0
 25 26  1  0
 12 27  1  0
 27 28  1  0
 28  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11141

> <plate>
PLATE 003

> <well>
C11

> <supplier_cmpd_name>
Urapidil hydrochloride

> <ctcr_id>
691

> <supplier_cmpd_id>
T0088

> <smiles>
COc1ccccc1N2CCN(CCCNC3=CC(=O)N(C)C(=O)N3C)CC2

> <pd_targets>
{MAPT,HTR1A,CYP2C9,ADRA1A,ADRA1B,ADRA1D,CHRM1,TSHR,LMNA,CYP2C19,CYP3A4,BLM,PMP22}

> <pathway_gtopdb>
{"Other cytosolic protein","Membrane receptor",Enzyme,"Other nuclear protein","Unclassified protein","Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","
Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Monoamine receptor","Cytochrome P450 family 2C","Glycohormone receptor","Cytochrome P450 family 3A","Serotonin 
receptor","Cytochrome P450 2C9","Adrenergic receptor","Acetylcholine receptor","Cytochrome P450 2C19","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","5-Hydroxytryptamine receptors","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","Glycoprotein hormone 
receptors","CYP3 family"}

> <pathway_reactome>
{"Neuronal System","Signal Transduction",Metabolism,Disease,"Cell Cycle","DNA Repair","Developmental Biology","Transmission across Chemical Synapses","Signaling by GPCR","Biological oxidations","Infec
tious disease",Mitotic,"Metabolism of lipids","DNA Double-Strand Break Repair","Nervous system development","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","Pha
se I - Functionalization of compounds","Leishmania infection","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","EGR2 and SOX10-mediated initiation of Sc
hwann cell myelination","Activation of NMDA receptors and postsynaptic events","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and sur
vival","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Post NMDA receptor activation events","Amine l
igand-binding receptors",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Biosynthesis of maresins","HDR through Homologous Recombination (HRR)","Ac
tivation of AMPK downstream of NMDARs","Serotonin receptors","CYP2E1 reactions","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Re
assembly","Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exc
hange"}

> <broad_targets>
{HTR1A}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{urapidil,34661-75-1,34661751,Ebrantil,Eupressyl,Mediatensyl,Uraprene,UNII-A78GF17HJS,UNIIA78GF17HJS,"NSC 310405",B-66256,B66256,C20H29N5O3,A78GF17HJS,"6-((3-(4-(2-Methoxyphenyl)-1-piperazinyl)propyl)
amino)-1,3-dimethyluracil","6((3(4(2Methoxyphenyl)1piperazinyl)propyl)amino)1,3dimethyluracil",MLS003115907,6-(3-(4-(o-Methoxyphenyl)-1-piperazin,6(3(4(oMethoxyphenyl)1piperazin,T0165,T0088,1503100,Ur
apidil,"Urapidil hydrochloride",URAPIDIL}

> <pdid>
PD013272

> <targets>
{}

> <classes>
{antihypertensive}

> <pubchem_cids>
{5639}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5109    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5998    1.4986    0.0000 C   0  0  2  0  0  0
   -3.8983    0.7460    0.0000 C   0  0
   -5.1997    1.4920    0.0000 C   0  0
   -6.4964    0.7381    0.0000 C   0  0
   -6.4919   -0.7619    0.0000 C   0  0
   -5.1906   -1.5080    0.0000 C   0  0
   -3.8938   -0.7540    0.0000 C   0  0
   -2.6013    2.9994    0.0000 C   0  0
   -3.9001    3.7500    0.0000 C   0  0
   -3.8996    5.2500    0.0000 C   0  0
   -2.6003    5.9996    0.0000 C   0  0
   -2.5999    7.4996    0.0000 Cl  0  0
   -1.3016    5.2491    0.0000 C   0  0
   -1.3020    3.7491    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 14 11  1  6
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 14 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11142

> <plate>
PLATE 003

> <well>
D2

> <supplier_cmpd_name>
Cetirizine dihydrochloride

> <ctcr_id>
382

> <supplier_cmpd_id>
T0089

> <smiles>
OC(=O)COCCN1CCN(CC1)[C@H](c2ccccc2)c3ccc(Cl)cc3

> <pd_targets>
{HRH1,TEK,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel",Protease,"Family A G protein-coupled receptor",Kinase,"Voltage-gated ion channel","Cysteine protease","Small molecule receptor (family A GPCR)","Protein Kinas
e","Potassium channels","Cysteine protease CA clan","Monoamine receptor","TK protein kinase group","Voltage-gated potassium channel","Cysteine protease C1A family","Histamine receptor","Tyrosine prote
in kinase Tie family"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Catalytic receptors","Voltage-gated ion channels","Histamine receptors","Receptor kinases","Potassium channels","TK: Tyrosine kinase","Voltage-
gated potassium channels","Receptor tyrosine kinases (RTKs)","Type XII RTKs: TIE family of angiopoietin receptors"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Signaling by GPCR","MAPK family signaling cascades","Cardiac conduction","GPCR ligand binding","MAPK1/MAPK3 signaling","Phase 3 - rapid repolarisation","Cl
ass A/1 (Rhodopsin-like receptors)","RAF/MAP kinase cascade","Amine ligand-binding receptors","Histamine receptors"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{H230000000,Levocetirizine,130018-77-8,130018778,"130018 77 8",Xyzal,(R)-cetirizine,(R)cetirizine,"(R) cetirizine",(-)-Cetirizine,()Cetirizine,"( ) Cetirizine",UNII-6U5EA9RT2O,UNII6U5EA9RT2O,"UNII 6U5
EA9RT2O","(R)-Cetirizine dihydrochloride","(R)Cetirizine dihydrochloride","(R) Cetirizine dihydrochloride",6U5EA9RT2O,Xarlin,"(2-(4-((R)-(4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic aci
d","(2(4((R)(4chlorophenyl)(phenyl)methyl)piperazin1yl)ethoxy)acetic acid","(2 (4 ((R) (4 chlorophenyl)(phenyl)methyl)piperazin 1 yl)ethoxy)acetic acid",SMR000466315,Vozet,R-,R,T1469,T0089,SAM00124657
5,"Cetirizine dihydrochloride",CPD000466315}

> <pdid>
PD003052

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{1549000,28145931}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -1.3022    5.2508    0.0000 N   0  0
   -0.0044    6.0031    0.0000 C   0  0
   -2.6030    5.9994    0.0000 C   0  0
   -2.6061    7.5002    0.0000 C   0  0
   -3.9069    8.2488    0.0000 C   0  0
   -3.9100    9.7496    0.0000 N   0  0
   -5.2108   10.4981    0.0000 C   0  0
   -6.5086    9.7459    0.0000 O   0  0
   -5.2139   11.9989    0.0000 C   0  0
   -6.4275   12.8588    0.0000 C   0  0
   -5.9640   14.2853    0.0000 C   0  0
   -4.4640   14.2854    0.0000 C   0  0
   -4.0004   12.8588    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11  5  1  0
 11 12  1  0
 12 13  2  0
 13  3  1  0
 13 14  1  0
 14 15  1  0
  7 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11143

> <plate>
PLATE 003

> <well>
D3

> <supplier_cmpd_name>
Alfuzosin hydrochloride

> <ctcr_id>
5108

> <supplier_cmpd_id>
T0091

> <smiles>
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3

> <pd_targets>
{ADRA1B,ADRA1A,HSD17B10,GLA,GAA,ADRA1D,KDM4E,ACHE,ALDH1A1,HPGD,KCNH2,SLC22A1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Epigenetic regulator","Ion channel",Transporter,"Family A G protein-coupled receptor",Oxidoreductase,Hydrolase,Eraser,"Voltage-gated ion channel","Electrochemical transpor
ter","Small molecule receptor (family A GPCR)","Lysine demethylase","Potassium channels","SLC superfamily of solute carriers","Monoamine receptor","Jumonji domain-containing","Voltage-gated potassium 
channel","SLC22 family of organic cation and anion transporters","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","3.2.1.- Glycosidases","Chromatin modifying enzymes","Acetylcholine turnover","Eicosanoid turnover","Voltage-gated ion chan
nels","SLC superfamily of solute carriers",Adrenoceptors,"1.14.11.- Histone demethylases","Prostaglandin synthases","Potassium channels","SLC22 family of organic cation and anion transporters","Voltag
e-gated potassium channels","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Muscle contraction","Transport of small molecules","Signaling by GPCR","Metabolism of amino acids and derivatives","Metabolism of lipids","Diseases of metabo
lism","Biological oxidations","Cardiac conduction","SLC-mediated transmembrane transport","GPCR ligand binding","Branched-chain amino acid catabolism","Sphingolipid metabolism","Diseases of carbohydra
te metabolism","Phospholipid metabolism","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Phase 3 - rapid repolarisation","Transport of bile salt
s and organic acids","metal ions and amine compounds","Class A/1 (Rhodopsin-like receptors)","Glycosphingolipid metabolism","Glycogen storage diseases","Glycerophospholipid biosynthesis","Ethanol oxid
ation","Biosynthesis of DHA-derived SPMs","Organic cation/anion/zwitterion transport","Amine ligand-binding receptors","Glycogen storage disease type II (GAA)","Synthesis of PC","Biosynthesis of D-ser
ies resolvins","Organic cation transport",Adrenoceptors}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{alfuzosin,81403-80-7,81403807,Alfuzosina,Alfuzosine,Alfuzosinum,Uroxatral,"SL 77499",ALFLUZOCIN,ALFLUZOSIN,CHEMBL709,CHEBI:51141,"Alfuzosine (French)","Alfuzosinum (Latin)",Alfusosine,"Alfuzosina (Sp
anish)","Alfuzosin (INN:BAN)","SL 77499-10","SL 7749910",Alfuzos,T0091,SAM001246638,1505263,"Alfuzosin hydrochloride",CPD000466340}

> <pdid>
PD003155

> <targets>
{}

> <classes>
{"alpha(1)-adrenergic blocker"}

> <pubchem_cids>
{2092}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
   10.1017   -3.0234    0.0000 H   0  3
    7.6017   -3.0234    0.0000 Cl  0  5
    3.1332   -7.5416    0.0000 C   0  0
    4.6332   -7.5468    0.0000 C   0  0
    5.1017   -6.1218    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2941   -3.7520    0.0000 C   0  0
   -0.0047   -3.0016    0.0000 C   0  0
   -1.3041   -3.7511    0.0000 C   0  0
   -1.3046   -5.2511    0.0000 C   0  0
   -0.0059   -6.0016    0.0000 C   0  0
    1.2935   -5.2521    0.0000 C   0  0
    2.6747   -6.1134    0.0000 N   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
  6 22  1  0
 22  3  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11144

> <plate>
PLATE 003

> <well>
D4

> <supplier_cmpd_name>
Antazoline hydrochloride

> <ctcr_id>
2294

> <supplier_cmpd_id>
T0092

> <smiles>
[H+].[Cl-].C1CN=C(CN(Cc2ccccc2)c3ccccc3)N1

> <pd_targets>
{IMPA1,HRH1,TSHR,CYP1A2,LMNA,KMT2A,LEF,CYP2D6,TAAR1,HIF1A,KDM4E}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Epigenetic regulator","Transcription factor",Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450",Reader,Protease,Eraser,"Small molecu
le receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cytochrome P450 family 1",Bromodomain,"Metallo protease","Cytochrome P450 family 2","Lysine demethylase","Monoamine receptor","Glycohor
mone receptor","Cytochrome P450 family 1A","Metallo protease MAE clan","Cytochrome P450 family 2D","Jumonji domain-containing","Histamine receptor","Cytochrome P450 1A1","Metallo protease M34 family",
"Cytochrome P450 2D6","Trace amine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Inositol phosphate turnover","G protein-coupled receptors","Cytochrome P450","Chromatin modifying enzymes","Inositol monophosphatase","Histamine receptors","Glycoprotein hormone re
ceptors","CYP1 family","2.1.1.43 Histone methyltransferases (HMTs)","CYP2 family: drug metabolising subset","Trace amine receptor","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Signal Transduction",Disease,"Cell Cycle","Gene expression (Transcription)","Cellular responses to external stimuli","Inositol phosphate metabolism","Signaling by GPCR","Infectious diseas
e","Biological oxidations",Mitotic,"RNA Polymerase II Transcription","Cellular responses to stress","Synthesis of IP2",IP,"and Ins in the cytosol","GPCR ligand binding","Leishmania infection","Phase I
 - Functionalization of compounds","M Phase","Generic Transcription Pathway","Uptake and actions of bacterial toxins","Cellular response to hypoxia","Class A/1 (Rhodopsin-like receptors)","Leishmania 
parasite growth and survival","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX1","Uptake and function of anthrax toxins","Oxygen-depe
ndent proline hydroxylation of Hypoxia-inducible Factor Alpha","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Mitotic Anaphase","RUN
X1 regulates genes involved in megakaryocyte differentiation and platelet function","Histamine receptors","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N-hydroxylat
ed or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{HRH1}

> <broad_moa>
{antihistamine}

> <synonyms>
{REGIDforCID17275,REGID-for-CID-17275,"REGID for CID 17275","Antazoline hydrochloride",2508-72-7,2508727,"Antazoline HCl","Antazoline (hydrochloride)","2-(N-Benzylanilinomethyl)-2-imidazoline hydrochl
oride","2(NBenzylanilinomethyl)2imidazoline hydrochloride",UNII-FP8Q8F72JH,UNIIFP8Q8F72JH,N-benzyl-N-(4,NbenzylN(4,5-dihydro-1H-imidazol-2-ylmethyl)anili,5dihydro1Himidazol2ylmethyl)anili,T0092,S4199,
Prestw-258}

> <pdid>
PD002471

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{17275,657291}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 35  0  0  1  0            999 V2000
   -1.0185   -8.8895    0.0000 C   0  0
   -0.8343   -7.4008    0.0000 C   0  0
    0.5474   -6.8149    0.0000 C   0  0
    0.7315   -5.3280    0.0000 C   0  0
    2.0426   -4.5993    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -0.3667   -4.3062    0.0000 O   0  0
   -1.1988   -2.7813    0.0000 C   0  0
   -2.1035   -3.9778    0.0000 O   0  0
   -1.7835   -1.3990    0.0000 C   0  0
   -3.2720   -1.2134    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 17 18  1  0
 18 12  1  0
 18 19  1  6
 20 18  1  6
 20  9  1  0
 20 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  1  0
 24  8  1  0
 24 25  1  6
 24 26  1  0
 26  6  1  0
 26 27  1  0
 27  4  1  0
 26 28  1  6
 28 29  2  0
 28 30  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11145

> <plate>
PLATE 003

> <well>
D5

> <supplier_cmpd_name>
Budesonide

> <ctcr_id>
2036

> <supplier_cmpd_id>
T0094

> <smiles>
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

> <pd_targets>
{AR,NR3C1,IL5,NFKB1,PGR,RORC,THPO,HSD17B10,CYP3A4,NR3C2,ABCC3,MMP9,ABCC4,ABCB11,IL5RA,ANXA1,PMP22,NPSR1,LMNA,BLM}

> <pathway_gtopdb>
{"Transcription factor","Secreted protein","Other cytosolic protein","Unclassified protein",Enzyme,Transporter,"Membrane receptor","Ion channel","Nuclear receptor",Oxidoreductase,"Cytochrome P450","Pr
imary active transporter",Protease,"Other ion channel","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","ATP-binding cassette","Metallo protease
",Annexin,"Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","ABCC subfamily","Metallo protease MAM clan","ABCB subfamily","Nucle
ar hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 1 
group F member 3","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 3 group C member 2","Metallo protease M10A subfamily","Other nuclear protein","Family A G protein-coupled receptor","Peptide
 receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Neuropeptide receptor"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Cytochrome P450","ATP-binding cassette transporter family","Peptidases and proteinases","Catalytic receptors","Steroid hormone receptors","
1F. Retinoic acid-related orphans","CYP3 family","ABCC subfamily","MA: Metallo (M) Peptidases","ABCB subfamily","Cytokine receptor family","3C. 3-Ketosteroid receptors","M10: Matrix metallopeptidase",
"IL-3 receptor family","G protein-coupled receptors","Neuropeptide S receptor"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Metabolism of proteins",Hemostasis,Metabolism,"Developmental Biology","Signal Transduction","RNA Polymerase II Transcription","Cytokine Signaling in
 Immune system","Post-translational protein modification","Platelet activation","signaling and aggregation","Metabolism of amino acids and derivatives","Metabolism of lipids","Nervous system developme
nt","Signaling by GPCR","Generic Transcription Pathway","Signaling by Interleukins",SUMOylation,"Platelet Aggregation (Plug Formation)","Branched-chain amino acid catabolism","Biosynthesis of speciali
zed proresolving mediators (SPMs)","Metabolism of steroids","Axon guidance","Response to elevated platelet cytosolic Ca2+","GPCR ligand binding","Transcriptional regulation by RUNX2","FOXO-mediated tr
anscription",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Interleukin-1 family signaling","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX3","Biosynthesis of DHA-
derived SPMs","Bile acid and bile salt metabolism","EPH-Ephrin signaling","Platelet degranulation","Class A/1 (Rhodopsin-like receptors)","RUNX2 regulates bone development","FOXO-mediated transcriptio
n of oxidative stress","metabolic and neuronal genes","Interleukin receptor SHC signaling","Interleukin-1 signaling","SUMOylation of intracellular receptors","RUNX3 Regulates Immune Response and Cell 
Migration","Biosynthesis of maresins","Recycling of bile acids and salts","EPH-ephrin mediated repulsion of cells","Synthesis of bile acids and bile salts","Peptide ligand-binding receptors","RUNX2 re
gulates osteoblast differentiation","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Formyl pept
ide receptors bind formyl peptides and many other ligands",Disease,"Cell Cycle","DNA Repair","Infectious disease",Mitotic,"DNA Double-Strand Break Repair","EGR2 and SOX10-mediated initiation of Schwan
n cell myelination","Leishmania infection","M Phase","Homology Directed Repair","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) o
r Single Strand Annealing (SSA)","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","ADORA2B mediated anti-inflammator
y cytokines production","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing a
nd strand exchange"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{RESTW51,budesonide,Entocort,51333-22-3,51333223,Preferid,Pulmicort,"Rhinocort Aqua",Rhinocort,"Entocort EC","Pulmicort Respules",Budesonidum,Uceris,Budeson,"Pulmicort Flexhaler",Cortivent,Micronyl,Re
spules,Spirocort,Bidien,Budenofalk,CHEBI:3207,MAP-0010,MAP0010,51372-2,513722,T0094,SAM002699898,Prestw-518,Budesonide,CPD000058337}

> <pdid>
PD001573

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5281004}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    1.1065    2.8606    0.0000 C   0  0
   -0.3930    2.8217    0.0000 C   0  0
   -1.1760    4.1011    0.0000 C   0  0
   -1.0947    1.4779    0.0000 N   0  3
   -2.5947    1.4650    0.0000 C   0  0
    0.0000    0.6568    0.0000 C   0  0
   -0.6568   -0.6386    0.0000 C   0  0
   -1.8063   -1.3319    0.0000 C   0  0
   -0.8393    0.0000    0.0000 C   0  0
    0.9488    0.0000    0.0000 C   0  0
    1.8975   -0.8028    0.0000 C   0  0
    1.6421    0.6933    0.0000 C   0  0
    2.6654   -2.0798    0.0000 O   0  0
    4.1661   -2.0555    0.0000 C   0  0
    4.8945   -0.7443    0.0000 O   0  0
    4.9382   -3.3425    0.0000 C   0  0
    4.2067   -4.6529    0.0000 C   0  0
    2.7069   -4.6756    0.0000 O   0  0
    6.4389   -3.3181    0.0000 C   0  0
    7.2125   -4.6033    0.0000 C   0  0
    8.7123   -4.5759    0.0000 C   0  0
    9.4385   -3.2634    0.0000 C   0  0
    8.6649   -1.9783    0.0000 C   0  0
    7.1652   -2.0056    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  6  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  CHG  1   4   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11146

> <plate>
PLATE 003

> <well>
D6

> <supplier_cmpd_name>
Ipratropium bromide monohydrate

> <ctcr_id>
7023

> <supplier_cmpd_id>
T0098

> <smiles>
CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3

> <pd_targets>
{CHRM1,CHRM3,CHRM2,CHRM5,CHRM4,KMT2A,MEN1,FFP}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator",Enzyme,"Family A G protein-coupled receptor",Reader,Transferase,"Small molecule receptor (family A GPCR)",Bromodomain,"Monoamine receptor","Acetylcholine re
ceptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{ipratropium,Atrovent,60205-81-4,60205814,"60205 81 4","Atrovent Hfa","Ipratropium bromide monohydrate",CHEMBL1237108,Ipraxa,Prestwick0_000575,Prestwick0000575,Prestwick0-000575,"Prestwick0 000575",Pr
estwick1_000575,Prestwick1000575,Prestwick1-000575,"Prestwick1 000575",Prestwick1,SAM002564215,CPD001906775}

> <pdid>
PD002966

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3746}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  0  0            999 V2000
    9.5629   -0.4995    0.0000 Cl  0  0
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    6.3098   -5.7131    0.0000 C   0  0
    7.0575   -4.4127    0.0000 O   0  0
    7.0625   -7.0106    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6071    5.9984    0.0000 Cl  0  0
    1.2938    3.7562    0.0000 C   0  0
    1.2890    5.2570    0.0000 C   0  0
    2.5852    6.0119    0.0000 Cl  0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  4 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  3  1  0
 17 12  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 18 22  1  0
 22 23  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11147

> <plate>
PLATE 003

> <well>
D7

> <supplier_cmpd_name>
Bendamustine hydrochloride

> <ctcr_id>
4363

> <supplier_cmpd_id>
T0095

> <smiles>
Cl.Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl

> <pd_targets>
{HDAC1,HDAC6,HDAC10,HDAC2,HDAC8,HDAC3}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Disorders of Developmental Biology","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second me
ssengers",Mitotic,"Disorders of Nervous System Development","Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","M Phase","Pervasive developmental disorders","Transcriptional regulation by
 RUNX2","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone 
development","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Regulation of TP53 Activity","Mitotic Anaphase","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast different
iation","Regulation of TP53 Activity through Acetylation","Separation of Sister Chromatids","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
{}

> <broad_moa>
{"DNA inhibitor"}

> <synonyms>
{"Bendamustine hydrochloride",3543-75-7,3543757,"Bendamustine HCl",Treanda,Ribomustin,Cytostasan,"Bendamustin hydrochloride",SDX-105,SDX105,"IMET 3393",Treakisym,"SyB L-0501","SyB L0501","Bendamustine
 (hydrochloride)",Bendeka,UNII-981Y8SX18M,UNII981Y8SX18M,"SDX 105",3,T0095,138783,S1212,"NSC 138783","Bendamustine HCl","bendamustine hydrochloride"}

> <pdid>
PD003516

> <targets>
{Apoptosis,DNA Alkylator/Crosslinker}

> <classes>
{Alkylating agent,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{77082,46863991}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 31  0  0  0  0            999 V2000
   12.0591   -2.6563    0.0000 H   0  3
    9.5591   -2.6563    0.0000 Cl  0  5
   -0.7603   -8.0518    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    4.0559   -4.4171    0.0000 S   0  0
    4.8090   -5.7153    0.0000 C   0  0
    6.3090   -5.7153    0.0000 C   0  0
    7.0591   -7.0143    0.0000 C   0  0
    6.3092   -8.3134    0.0000 C   0  0
    4.8092   -8.3134    0.0000 C   0  0
    4.0591   -7.0144    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8805   -1.4410    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Br  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8990   -0.7455    0.0000 N   0  0
   -5.1996   -1.4928    0.0000 C   0  0
   -3.8964    0.7545    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  9 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 26 31  2  0
 31  8  1  0
 31 20  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11148

> <plate>
PLATE 003

> <well>
D8

> <supplier_cmpd_name>
Arbidol hydrochloride

> <ctcr_id>
4558

> <supplier_cmpd_id>
T0104

> <smiles>
[H+].[Cl-].CCOC(=O)c1c(CSc2ccccc2)n(C)c3cc(Br)c(O)c(CN(C)C)c13

> <pd_targets>
{GAA,HA}

> <pathway_gtopdb>
{Enzyme,"Surface antigen",Hydrolase}

> <pathway_chembl>
{Enzymes,"3.2.1.- Glycosidases"}

> <pathway_reactome>
{Disease,"Diseases of metabolism","Diseases of carbohydrate metabolism","Glycogen storage diseases","Glycogen storage disease type II (GAA)"}

> <broad_targets>
{CYP3A4}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{"Arbidol Hydrochloride",131707-23-8,131707238,"Arbidol HCl","Umifenovir hydrochloride",UNII-8CXV4OU367,UNII8CXV4OU367,"Arbidol (hydrochloride)",8CXV4OU367,"Umifenovir (hydrochloride)",MFCD00344795,AC
MC-20a2tj,ACMC20a2tj,"Arbidol HCl (Umifenovir)",C22H26BrClN2O3S,Arbidol-(d6),Arbidol(d6),T0104,S2120,"Arbidol hydrochloride"}

> <pdid>
PD073701

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{49964280,9958103}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3092   -5.2494    0.0000 C   0  0
    2.6108   -5.9949    0.0000 C   0  0
    3.9073   -5.2404    0.0000 C   0  0
    3.9021   -3.7404    0.0000 C   0  0
    2.6004   -2.9949    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 S   0  0
   -2.5983   -3.0004    0.0000 N   0  0
   -3.8983   -0.7513    0.0000 O   0  0
   -3.8975   -2.2510    0.0000 O   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3032    3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 10 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
  8 23  1  0
 23 24  1  0
 23 25  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11149

> <plate>
PLATE 003

> <well>
D9

> <supplier_cmpd_name>
Bumetanide

> <ctcr_id>
6574

> <supplier_cmpd_id>
T0108

> <smiles>
CCCCNc1cc(cc(c1Oc2ccccc2)[S](N)(=O)=O)C(O)=O

> <pd_targets>
{GPR35,HSD17B10,CA5B,LMNA,ALDH1A1,CA6,CA14,SLC12A5,TSHR,HIF1A,CA7,SLC12A1,CA1,USP2,HPGD,CA9,CA12,KDM4E,BLM,NPSR1,CA2,CA4,CA13,CA5A,SLC12A2,SLC22A6,SLC12A4,CFTR}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein",Transporter,"Transcription factor","Epigenetic regulator","Ion channel","Family A G protein-coupled receptor",Oxidoreductase,Lyase,"Electrochemical 
transporter",Protease,Eraser,"Other ion channel","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Peptide receptor (family A GPCR)","Cysteine protease","Lysine demethyla
se","Chloride channel","Carboxylic acid receptor","SLC12 family of cation-coupled chloride transporters","Glycohormone receptor","Cysteine protease CA clan","Jumonji domain-containing","Short peptide 
receptor (family A GPCR)","SLC22 family of organic cation and anion transporters","Cystic fibrosis transmembrane conductance regulator","Kynurenic acid receptor","Cysteine protease C19 family","Neurop
eptide receptor"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","G protein-coupled receptors","Carbonic anhydrases","SLC superfamily of solute carriers","Peptidases and proteinases","Eicosanoid turnover","Chromatin mo
difying enzymes","Other ion channels","Orphan and other 7TM receptors","SLC12 family of cation-coupled chloride transporters","Glycoprotein hormone receptors","CA: Cysteine (C) Peptidases","Prostaglan
din synthases","1.14.11.- Histone demethylases","Neuropeptide S receptor","SLC22 family of organic cation and anion transporters","Chloride channels","Class A Orphans","C19: Ubiquitin-specific proteas
e","Organic anion transporters (OATs)",CFTR}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Cell Cycle","Transport of small molecules",Disease,"Cellular responses to external stimuli","Immune System","Gene expression (Transcription)","DNA Repair",Autophagy,
"Signaling by GPCR","Metabolism of amino acids and derivatives","Reversible hydration of carbon dioxide",Mitotic,"Biological oxidations","SLC-mediated transmembrane transport","Infectious disease","Ce
llular responses to stress","Disorders of transmembrane transporters","Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Metabolism of lipids","DNA Double-Strand Break Repair","O
2/CO2 exchange in erythrocytes",Macroautophagy,"GPCR ligand binding","Branched-chain amino acid catabolism","M Phase","Phase I - Functionalization of compounds","Transport of inorganic cations/anions 
and amino acids/oligopeptides","Leishmania infection","Cellular response to hypoxia","SLC transporter disorders","Signaling by Interleukins","Generic Transcription Pathway","Biosynthesis of specialize
d proresolving mediators (SPMs)","Homology Directed Repair","Erythrocytes take up carbon dioxide and release oxygen","Transport of bile salts and organic acids","metal ions and amine compounds","Selec
tive autophagy","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase","Ethanol oxidation","Cation-coupled Chloride cotransporters","Leishmania parasite growth and survival","Oxygen-d
ependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Defective SLC12A1 causes Bartter syndrome 1 (BS1)","Interleukin-12 family signaling","Transcriptional Regulation by TP53","Biosynthes
is of DHA-derived SPMs","Regulation of gene expression by Hypoxia-inducible Factor","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Organic cation/anion/zwitterion trans
port",Aggrephagy,"Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Interleukin-12 signaling","Regulation of TP53 Activity","Biosynthesis of D-series resolvins","
HDR through Homologous Recombination (HRR)","Organic anion transport","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Gene and protein expression by JAK-S
TAT signaling after Interleukin-12 stimulation","Regulation of TP53 Expression and Degradation","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulati
on of TP53 Degradation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CFTR,GPR35,SLC12A1,SLC12A2,SLC12A4,SLC12A5}

> <broad_moa>
{"solute carrier family member inhibitor"}

> <synonyms>
{RESTW27,bumetanide,28395-03-1,28395031,"3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid","3(Butylamino)4phenoxy5sulfamoylbenzoic acid",Bumex,Burinex,Fordiuran,Lunetoron,Fontego,Segurex,"Ro 10-6338",
"Ro 106338",Bumetanida,Bumetanidum,"Bumetanidum (INN-Latin)","Bumetanidum (INNLatin)","3-(Aminosulfonyl)-5-(butylamino)-4-phenoxybenzoic acid","3(Aminosulfonyl)5(butylamino)4phenoxybenzoic acid",B,T01
08,SAM002564195,1502004,Prestw-276,Bumetanide,CPD000058418,BUMETANIDE}

> <pdid>
PD001439

> <targets>
{NKCC}

> <classes>
{diuretic,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{2471}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
   11.1861   -3.9776    0.0000 C   0  0
    9.6938   -4.1290    0.0000 C   0  0
    8.8153   -2.9121    0.0000 O   0  0
    7.3221   -3.0635    0.0000 C   0  0
    6.7075   -4.4318    0.0000 O   0  0
    6.4437   -1.8466    0.0000 N   0  5
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 N   0  0
    4.2010   -3.2956    0.0000 O   0  3
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11  7  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
M  CHG  2   6  -1  11   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11150

> <plate>
PLATE 003

> <well>
D10

> <supplier_cmpd_name>
Molsidomine

> <ctcr_id>
5406

> <supplier_cmpd_id>
T0109

> <smiles>
CCOC(=O)[N-]c1cn(n[o+]1)N2CCOCC2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SR-05000001464-1,SR050000014641,SR-05000001464-3,SR050000014643,W-107222,W107222,"ethoxy-N-(3-morpholin-4-yl(1,2,3-oxadiazol-5-yl))carboxamide","ethoxyN(3morpholin4yl(1,2,3oxadiazol5yl))carboxamide",
molsidomine,25717-80-0,25717800,Corvaton,morsydomine,Molsidolat,SIN-10,SIN10,Motazomin,Morial,N-Ethoxycarbonyl-3-morpholinosydnonimine,NEthoxycarbonyl3morpholinosydnonimine,MLS000028573,UNII,1500673,M
OLSIDOMINE}

> <pdid>

> <targets>
{Others}

> <classes>
{antianginal,Others}

> <pubchem_cids>
{5353788,5360788,4238}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0  1  0  0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0  1  0  0  0
   -6.4447    1.8344    0.0000 C   0  0
   -7.3266    3.0478    0.0000 O   0  0
   -3.9492    0.8772    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  6
 13 14  1  0
 12 15  1  0
 15  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11151

> <plate>
PLATE 003

> <well>
D11

> <supplier_cmpd_name>
Zalcitabine

> <ctcr_id>
5855

> <supplier_cmpd_id>
T0110

> <smiles>
NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO)O2

> <pd_targets>
{NFKB1,POL,LMNA,MAPT,ALB,MAPK1,KMT2A,MEN1,CXCR4}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Other nuclear protein","Secreted protein","Epigenetic regulator","Membrane receptor",Hydrolase,Kinase,Reader,"Family A G protein-coupled receptor","Protein Kinase",B
romodomain,"Peptide receptor (family A GPCR)","CMGC protein kinase group","Chemokine receptor","CMGC protein kinase MAPK family","CXC chemokine receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","G protein-coupled receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Chemokine receptors","Mitogen-activated protein kinases (MAP kinases)","ERK sub
family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Neuronal System",Metabolism,Disease,"Cytokine Signaling in Immune system",Mitotic,"Transmission across Chemical Synapses","Metabolism of lipids","Innate Immune System","
Infectious disease","Signaling by Interleukins","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Metabolism of steroids","Toll-like Receptor Cascades","HIV Infection","Inte
rleukin-1 family signaling","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Bile acid and bile salt metabolism","Toll Like Receptor 5 (TLR5) Cascade","HIV Life
 Cycle","Interleukin-1 signaling","Mitotic Anaphase","Post NMDA receptor activation events","Recycling of bile acids and salts","MyD88 cascade initiated on plasma membrane","Early Phase of HIV Life Cy
cle","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","MAP kinase activation","Binding and entry of HIV virion","Initiation of 
Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{RESTW103,zalcitabine,7481-89-2,7481892,"2',3'-DIDEOXYCYTIDINE","2',3'DIDEOXYCYTIDINE",Dideoxycytidine,ddCyd,HIVID,"Cytidine, 2',3'-dideoxy-","Cytidine, 2',3'dideoxy",ddC,Zalcitibine,"Ro 24-2027/000",
"Ro 242027/000",UNII-6L3XT8CB3I,UNII6L3XT8CB3I,MFCD00012188,CHEMBL853,6L3XT8CB3I,78798-EP2305695A2,78798EP2305695A2,CHEBI:10101,NCGC00090705-08,NCGC0009070508,DSSTox_CID_37,DSSToxCID37,DSSTox-CID-37,"
DSSTox CID 37",T0110,SAM001246779,Prestw-1037,Zalcitabine,CPD000058253}

> <pdid>
PD001308

> <targets>
{HIV,Reverse Transcriptase}

> <classes>
{Anti-infection}

> <pubchem_cids>
{24066}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 31  0  0  1  0            999 V2000
   13.5566   -0.7173    0.0000 Cl  0  5
    8.5560   -0.8962    0.0000 C   0  0
    7.4824   -1.9437    0.0000 O   0  0
    6.0373   -1.5383    0.0000 C   0  0
    4.9622   -2.5843    0.0000 C   0  0
    3.5188   -2.1762    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    4.2257    0.3239    0.0000 C   0  0
    5.6691   -0.0842    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0  2  0  0  0
    1.3514    1.0778    0.0000 S   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -3.1497   -0.7220    0.0000 C   0  0
   -3.5900   -2.1568    0.0000 C   0  0
   -5.0525   -2.4938    0.0000 N   0  0
   -5.4926   -3.9278    0.0000 C   0  0
   -6.0747   -1.3960    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.4008   -2.9088    0.0000 O   0  0
    0.7500   -1.5574    0.0000 C   0  0  2  0  0  0
    1.3993   -2.9127    0.0000 O   0  0
    0.5521   -4.1515    0.0000 C   0  0
   -0.9435   -4.0368    0.0000 C   0  0
    1.2002   -5.5043    0.0000 O   0  0
   11.0566   -0.7173    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
 10  7  1  1
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 18 24  1  0
 24 25  2  0
 24 26  1  0
 26 10  1  0
 26 27  1  1
 27 28  1  0
 28 29  1  0
 28 30  2  0
M  CHG  2   1  -1  31   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11152

> <plate>
PLATE 003

> <well>
E2

> <supplier_cmpd_name>
Diltiazem hydrochloride

> <ctcr_id>
3390

> <supplier_cmpd_id>
T0112

> <smiles>
[Cl-].COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O.[H+]

> <pd_targets>
{KCNH2,CACNA1C,CACNA1D,CACNA1S,CYP3A4,KCNC1,TSHR,CACNA1F,KCNA7,ABCB1,HTR3A,SCN1A,SCN2A,SCN3A,LMNA,HTT,SCN10A,SCN11A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,NS1,FFP,BLM,KMT2A,MEN1,SLC22A1,KCNA1,KCNA2,KCNA5,CACNG
1,ABCB11,CNGA1,CHRM1,CNGB3,CNGA2,CNGA3}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Membrane receptor",Transporter,"Other nuclear protein","Unclassified protein","Epigenetic regulator","Voltage-gated ion channel","Cytochrome P450","Family A G protein-coupled re
ceptor","Primary active transporter",Transferase,Reader,"Electrochemical transporter","Potassium channels","Voltage-gated calcium channel","Cytochrome P450 family 3","Peptide receptor (family A GPCR)"
,"ATP-binding cassette","Voltage-gated sodium channel",Bromodomain,"SLC superfamily of solute carriers","Voltage-gated potassium channel","Cytochrome P450 family 3A","Glycohormone receptor","ABCB subf
amily","SLC22 family of organic cation and anion transporters","Cytochrome P450 3A4","Cyclic nucleotide-regulated channel","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine
 receptor"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,Transporters,"Voltage-gated ion channels","Cytochrome P450","G protein-coupled receptors","ATP-binding cassette transporter family","Ligand-gated ion channels","SLC s
uperfamily of solute carriers","Potassium channels","CYP3 family","Voltage-gated calcium channels","Glycoprotein hormone receptors","ABCB subfamily","5-HT<sub>3</sub> receptors","SLC22 family of organ
ic cation and anion transporters","Voltage-gated potassium channels","Organic cation transporters (OCT)","Cyclic nucleotide-regulated channels","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Muscle contraction",Metabolism,"Neuronal System","Developmental Biology",Disease,"Cell Cycle","Gene expression (Transcription)","DNA Repair","Transport of small molecules","Cardiac conduction","Meta
bolism of lipids","Potassium Channels","Nervous system development","Infectious disease","Abacavir transport and metabolism","Transmission across Chemical Synapses",Mitotic,"RNA Polymerase II Transcri
ption","DNA Double-Strand Break Repair","SLC-mediated transmembrane transport","Phase 3 - rapid repolarisation","Biosynthesis of specialized proresolving mediators (SPMs)","Voltage gated Potassium cha
nnels","Axon guidance","Leishmania infection","Abacavir transmembrane transport","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Generic Transcription Pathway","Homology D
irected Repair","Transport of bile salts and organic acids","metal ions and amine compounds","Metabolism of steroids","Biosynthesis of DHA-derived SPMs","NCAM signaling for neurite out-growth","Leishm
ania parasite growth and survival","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Organic cation/
anion/zwitterion transport","Bile acid and bile salt metabolism","Biosynthesis of maresins","NCAM1 interactions","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase"
,"Regulation of MECP2 expression and activity","HDR through Homologous Recombination (HRR)","Organic cation transport","Synthesis of bile acids and bile salts","Biosynthesis of maresin-like SPMs","ADO
RA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Synthesis of bile acids and bile salts via 7alpha-hydroxycholeste
rol","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Signal Transduction","Organelle biogenesis and maintenance","Signaling by GPCR
","Cilium Assembly","GPCR downstream signalling","GPCR ligand binding","Cargo trafficking to the periciliary membrane","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","VxPx carg
o-targeting to cilium","Visual phototransduction","Amine ligand-binding receptors","The phototransduction cascade","Muscarinic acetylcholine receptors","Activation of the phototransduction cascade"}

> <broad_targets>
{CACNA1C,CACNA1S,CACNA2D1,CACNG1,HTR3A,KCNA5}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{SCHEMBL20394103,MCULE-4757300773,MCULE4757300773,"Diltiazem hydrochloride","Diltiazem HCl",33286-22-5,33286225,"(+)-cis-Diltiazem hydrochloride","(+)cisDiltiazem hydrochloride",Dilzem,Tiazac,Herbesse
r,Dilzene,Lacerol,Masdil,Tildiem,Mono-Tildiem,MonoTildiem,Bi-Tildiem,BiTildiem,CRD-401,CRD401,"Cardizem CD",Cardize,SAM002564204,Prestw-134,CPD000058375}

> <pdid>
PD010090

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{44659717,657259,62920}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 60 67  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1272    4.3728    0.0000 C   0  0
   -6.5954    4.6799    0.0000 C   0  0
   -7.5955    3.5619    0.0000 C   0  0
   -7.1272    2.1368    0.0000 C   0  0
   -5.6590    1.8298    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.0972   -0.1561    0.0000 C   0  0
   -5.7073   -1.5264    0.0000 C   0  0
   -4.8256   -2.7399    0.0000 C   0  0
   -3.3339   -2.5831    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   15.2923   -1.5000    0.0000 C   0  0
   13.9932   -0.7500    0.0000 N   0  0
   13.9932    0.7500    0.0000 C   0  0
   12.6942    1.5000    0.0000 C   0  0
   11.3951    0.7500    0.0000 C   0  0
    9.9694    1.2135    0.0000 N   0  0
    9.5037    2.6376    0.0000 C   0  0
    8.0353    2.9478    0.0000 C   0  0
    7.5670    4.3728    0.0000 C   0  0
    6.0988    4.6799    0.0000 C   0  0
    5.0987    3.5619    0.0000 C   0  0
    5.5669    2.1368    0.0000 C   0  0
    7.0352    1.8298    0.0000 C   0  0
    9.0877    0.0000    0.0000 C   0  0
    7.5970   -0.1561    0.0000 C   0  0
    6.9869   -1.5264    0.0000 C   0  0
    7.8686   -2.7399    0.0000 C   0  0
    9.3603   -2.5831    0.0000 C   0  0
    9.9694   -1.2135    0.0000 C   0  0
   11.3951   -0.7500    0.0000 C   0  0
   12.6942   -1.5000    0.0000 C   0  0
   25.5893   -0.9054    0.0000 O   0  0
   25.5898    0.5946    0.0000 S   0  0
   26.8893    1.3437    0.0000 O   0  0
   26.8884   -0.1560    0.0000 O   0  0
   24.2900    1.3450    0.0000 C   0  0
   24.2900    2.8450    0.0000 C   0  0
   22.9910    3.5950    0.0000 C   0  0
   21.6919    2.8450    0.0000 C   0  0
   21.6919    1.3450    0.0000 C   0  0
   22.9910    0.5950    0.0000 C   0  0
   22.9910   -0.9050    0.0000 C   0  0
   21.6919   -1.6550    0.0000 C   0  0
   20.3929   -0.9050    0.0000 C   0  0
   20.3929    0.5950    0.0000 C   0  0
   19.0931    1.3454    0.0000 S   0  0
   19.0936    2.8454    0.0000 O   0  0
   17.7936    0.5962    0.0000 O   0  0
   17.7945    2.0960    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  6 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20  5  2  0
 20 21  1  0
 21  2  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 27 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 35  1  0
 40 41  1  0
 41 26  2  0
 41 42  1  0
 42 23  1  0
 43 44  1  0
 44 45  2  0
 44 46  2  0
 44 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 51  1  0
 51 52  2  0
 52 47  1  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  2  0
 56 51  1  0
 56 57  1  0
 57 58  1  0
 57 59  2  0
 57 60  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11153

> <plate>
PLATE 003

> <well>
E3

> <supplier_cmpd_name>
Mebhydrolin napadisylate

> <ctcr_id>
1975

> <supplier_cmpd_id>
T0113

> <smiles>
CN1CCc2n(Cc3ccccc3)c4ccccc4c2C1.CN5CCc6n(Cc7ccccc7)c8ccccc8c6C5.O[S](=O)(=O)c9cccc%10c9cccc%10[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW45,"Mebhydrolin napadisylate",6153-33-9,6153339,Diazoline,"Mebhydrolin napadisilate","Mebhydroline Napadisylate","Mebhydrolin (napadisylate)","Mebhydroline 1,5-naphthalenedisulfonate salt","Mebh
ydroline 1,5naphthalenedisulfonate salt",UNII-O5G04RB25M,UNIIO5G04RB25M,"mebhydroline 1,5-naphthalenedisulfonate","mebhydroline 1,5naphthalenedisulfonate",Diazolin,T0113,Prestw-455,"Mebhydroline 1,5-n
aphtalenedisulfonate"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{22529}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.5875   -5.9994    0.0000 C   0  0
    3.8888   -5.2533    0.0000 N   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0008    0.0000 C   0  0
   -3.3461   -4.2096    0.0000 C   0  0
   -1.8461   -4.2072    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -5.2011    2.9977    0.0000 O   0  0
   -6.4964    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 19  1  0
 18 22  1  0
 22 13  1  0
 22 23  2  0
 23  9  1  0
 23 24  1  0
 24 25  1  0
 16 26  1  0
 26 27  1  0
 26 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11154

> <plate>
PLATE 003

> <well>
E4

> <supplier_cmpd_name>
Balofloxacin

> <ctcr_id>
5791

> <supplier_cmpd_id>
T0116

> <smiles>
CNC1CCCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4)c3c2OC)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{Balofloxacin,127294-70-6,127294706,Bilimin,NCGC00167532-01,NCGC0016753201,"Balofloxacin (INN)",DSSTox_CID_26695,DSSToxCID26695,DSSTox-CID-26695,"DSSTox CID 26695",DSSTox_RID_81829,DSSToxRID81829,DSST
ox-RID-81829,"DSSTox RID 81829",UNII-Q022B63JPM,UNIIQ022B63JPM,DSSTox_GSID_46695,DSSToxGSID46695,DSSTox-GSID-46695,"DSSTox GSID 46695","Q 35",CAS-127294-70-6,CAS127294706,CHEMBL1210954,ACMC-20a7xm,ACM
C20a7xm,"BALOFLOXACIN 2-HYDRATE","BALOFLOXACIN 2HYDRATE",SCHEMBL134163,DTXSID5046695,HM,T0116,S2064}

> <pdid>
PD010869

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{65958}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 33  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 S   0  3
   -9.0983    0.7368    0.0000 C   0  0
   -7.8029    2.9887    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   15.4824   -4.8881    0.0000 C   0  0
   14.1834   -4.1381    0.0000 C   0  0
   14.1834   -2.6381    0.0000 C   0  0
   12.8843   -1.8881    0.0000 C   0  0
   11.5853   -2.6381    0.0000 C   0  0
   11.5853   -4.1381    0.0000 C   0  0
   12.8843   -4.8881    0.0000 C   0  0
   10.2855   -1.8877    0.0000 S   0  0
    8.9867   -2.6381    0.0000 O   0  5
   10.2846   -0.3877    0.0000 O   0  0
    8.9861   -1.1384    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 12 21  1  0
 21 22  2  0
 22  9  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 30  1  0
 30 31  1  0
 30 32  2  0
 30 33  2  0
M  CHG  2  18   1  31  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11155

> <plate>
PLATE 003

> <well>
E5

> <supplier_cmpd_name>
Suplatast tosilate

> <ctcr_id>
2108

> <supplier_cmpd_id>
T0117

> <smiles>
CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1.Cc2ccc(cc2)[S]([O-])(=O)=O

> <pd_targets>
{KMT2A,MEN1}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"histamine release inhibitor","immunoglobulin inhibitor"}

> <synonyms>
{MFCD00867604,DSSTox_CID_25003,DSSToxCID25003,DSSTox-CID-25003,"DSSTox CID 25003","Suplatast Tosilate","Suplatast tosylate",94055-76-2,94055762,IPD-1151T,IPD1151T,"Suplatast (Tosilate)","Ipd 1151T","9
4055-76-2 (tosylate)","94055762 (tosylate)",DSSTox_RID_80646,DSSToxRID80646,DSSTox-RID-80646,"DSSTox RID 80646",DSSTox_GSID_45003,DSSToxGSID45003,DSSTox-GSID-45003,"DSSTox GSID 45003",Suplatasttosilat
e,"Suplatast tosilate (INN)",S,T0117,S2015,"Suplatast tosilate","Suplatast Tosylate"}

> <pdid>
PD014303

> <targets>
{Others,Interleukin Related}

> <classes>
{Others,Immunology/Inflammation}

> <pubchem_cids>
{71773}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    3.8919   -4.7570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.4696   -5.4919    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8926   -3.7566    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12  6  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 11 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 10 26  1  0
M  CHG  2  19   1  20  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11156

> <plate>
PLATE 003

> <well>
E6

> <supplier_cmpd_name>
Nitrendipine

> <ctcr_id>
2333

> <supplier_cmpd_id>
T0119

> <smiles>
CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC)C

> <pd_targets>
{BLM,CACNA1C,CACNA1D,CACNA1F,CACNA1S,PTAFR,LMNA,MAPT,ABCB11,KCNN4,SCN1A,SCN2A,SCN3A,FTL,ADORA2A,KCNH2,ADORA1,PMP22,SCN10A,SCN11A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,GMNN,ADORA3,ABCB1,CYP2C19,MTOR,TRPA1,CYP2
C9,CACNA2D1,CACNB2,CACNA2D2,CACNA1H,CYP1A2,NFKB1,THPO,KMT2A,MEN1,TSHR,CYP3A4,HIF1A,CYP2D6,LEF}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor","Other nuclear protein","Other cytosolic protein",Transporter,"Unclassified protein","Auxiliary transport protein","Voltage-gated ion channel","Family A G pro
tein-coupled receptor","Primary active transporter","Cytochrome P450",Kinase,"Calcium channel auxiliary subunit alpha2delta family","Calcium channel auxiliary subunit beta family","Voltage-gated calci
um channel","Small molecule receptor (family A GPCR)","ATP-binding cassette","Potassium channels","Voltage-gated sodium channel","Cytochrome P450 family 2","Protein Kinase","Transient receptor potenti
al channel","Lipid-like ligand receptor (family A GPCR)","ABCB subfamily","Calcium-activated potassium channel","Nucleotide-like receptor (family A GPCR)","Voltage-gated potassium channel","Cytochrome
 P450 family 2C","Atypical protein kinase group","PAF receptor","Adenosine receptor","Cytochrome P450 2C19","Atypical protein kinase PIKK family","Cytochrome P450 2C9","Atypical protein kinase FRAP su
bfamily","Epigenetic regulator","Transcription factor",Reader,"Cytochrome P450 family 1",Bromodomain,"Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 1A","Glycohor
mone receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 1A1","Cytochrome P450 3A4","Cytochrome P450 2D6",Protease,"Metallo protease","Metallo protease MAE clan","Metall
o protease M34 family"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"G protein-coupled receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x.x)","Platelet-a
ctivating factor receptor","ABCB subfamily","Potassium channels","Voltage-gated calcium channels","Adenosine receptors","CYP2 family: drug metabolising subset",Atypical,"Transient Receptor Potential c
hannels","Calcium- and sodium-activated potassium channels","Voltage-gated potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily","CYP1 family","Glycoprot
ein hormone receptors","CYP3 family"}

> <pathway_reactome>
{"DNA Repair","Immune System","Cell Cycle","Neuronal System",Metabolism,"Vesicle-mediated transport","Developmental Biology",Disease,"Muscle contraction","Signal Transduction","Gene expression (Transc
ription)","Transport of small molecules","DNA Double-Strand Break Repair","Cytokine Signaling in Immune system",Mitotic,"Transmission across Chemical Synapses","Metabolism of lipids","Potassium Channe
ls","Membrane Trafficking","Nervous system development","Infectious disease","Cardiac conduction","Signaling by GPCR","Abacavir transport and metabolism","Biological oxidations","RNA Polymerase II Tra
nscription","Ion channel transport","Integration of energy metabolism","Homology Directed Repair","Interferon Signaling","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Me
tabolism of steroids","Ca2+ activated K+ channels","trans-Golgi Network Vesicle Budding","Axon guidance","Leishmania infection","Phase 3 - rapid repolarisation","GPCR ligand binding","EGR2 and SOX10-m
ediated initiation of Schwann cell myelination","Mitotic G1 phase and G1/S transition","Abacavir transmembrane transport","Phase I - Functionalization of compounds","Generic Transcription Pathway","St
imuli-sensing channels","Regulation of insulin secretion","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interferon gamma signaling","Mitotic Metaphase and Anaphase","A
ctivation of NMDA receptors and postsynaptic events","Bile acid and bile salt metabolism","Golgi Associated Vesicle Biogenesis","NCAM signaling for neurite out-growth","Leishmania parasite growth and 
survival","Class A/1 (Rhodopsin-like receptors)","G1/S Transition","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by TP53","TRP channels",Adrenaline,"noradrenaline inhibits
 insulin secretion","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Post NMDA receptor activation events","Synthesis of bile acids and bile salts","NCAM1 interactions","Anti-inflammat
ory response favouring Leishmania parasite infection","Nucleotide-like (purinergic) receptors","Activation of the pre-replicative complex",Xenobiotics,"Regulation of TP53 Activity","Homologous DNA Pai
ring and Strand Exchange","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","ADORA2B mediated anti-inf
lammatory cytokines production","Adenosine P1 receptors","CYP2E1 reactions","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Initiatio
n of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation",Hemostasis,"Cellular responses to external stimuli","Platelet activation","signaling and aggregation","Cellular responses to st
ress","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","Biosynthesis of specialized proresolving mediators (SPMs)","Cellular response to hypoxia","Interleukin-1 family signaling","B
iosynthesis of DHA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Interleukin-1 signaling","Biosynthesis of maresins","Aromatic amines can be N-hydroxylated 
or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Uptake and actions of bacterial toxins","Uptake and function of anthrax toxins"}

> <broad_targets>
{CACNA1D,CACNA2D1,KCNN4}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{nitrendipine,39562-70-4,39562704,Baypress,Bayotensin,Nidrel,Nitrendipin,Nitrendipinum,Bay-e-5009,Baye5009,Nitrendipino,Bylotensin,Deiten,"BAY e 5009","Nitrendipinum (INN-Latin)","Nitrendipinum (INNLa
tin)","Nitrendipino (INN-Spanish)","Nitrendipino (INNSpanish)",CHEBI:7582,MFCD00082255,MLS000069349,NCGC00015713-07,NCGC0001571307,T0119,Prestw-916,Nitrendipine}

> <pdid>
PD002662

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4507}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 43 47  0  0  0  0            999 V2000
    3.8919   -4.7570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.4696   -5.4919    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -4.2368   -5.1800    0.0000 C   0  0
   -5.6857   -4.7918    0.0000 N   0  0
   -5.2974   -3.3429    0.0000 C   0  0
   -6.9811   -5.5374    0.0000 C   0  0
   -8.2796   -4.7848    0.0000 C   0  0
   -8.2803   -3.2848    0.0000 C   0  0
   -9.5796   -2.5353    0.0000 C   0  0
  -10.8784   -3.2858    0.0000 C   0  0
  -10.8778   -4.7858    0.0000 C   0  0
   -9.5785   -5.5353    0.0000 C   0  0
   -6.9827   -7.0382    0.0000 C   0  0
   -5.6859   -7.7923    0.0000 C   0  0
   -5.6905   -9.2923    0.0000 C   0  0
   -6.9919  -10.0383    0.0000 C   0  0
   -8.2886   -9.2843    0.0000 C   0  0
   -8.2840   -7.7843    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  7  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 12 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 26  1  0
 28 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 30 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 37  1  0
 11 43  1  0
M  CHG  2  20   1  21  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11157

> <plate>
PLATE 003

> <well>
E7

> <supplier_cmpd_name>
Azelnidipine

> <ctcr_id>
4451

> <supplier_cmpd_id>
T0121

> <smiles>
CC(C)OC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC3CN(C3)C(c4ccccc4)c5ccccc5)N

> <pd_targets>
{KMT2A,MEN1,RORC,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor","Ion channel",Reader,"Nuclear receptor","Voltage-gated ion channel",Bromodomain,"Nuclear hormone receptor subfamily 1","Voltage-gated calcium channel","N
uclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","Developmental Biology","RNA Polymerase II Transcription","Nervous system development","Generic Transcription Pathway","Axon guidance","Transcriptional regulation by
 RUNX3","NCAM signaling for neurite out-growth","RUNX3 Regulates Immune Response and Cell Migration","NCAM1 interactions"}

> <broad_targets>
{CACNA1C}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{Azelnidipine,123524-52-7,123524527,CS-905,CS905,RS-9054,RS9054,MFCD00865803,NCGC00167436-01,NCGC0016743601,NCGC00167436-02,NCGC0016743602,Calblock,DSSTox_CID_120,DSSToxCID120,DSSTox-CID-120,"DSSTox C
ID 120",DSSTox_RID_75382,DSSToxRID75382,DSSTox-RID-75382,"DSSTox RID 75382",DSSTox_GSID_20120,DSSToxGSID20120,DSSTox-GSID-20120,"DSSTox GSID 20120","Azelnidipine (INN)","CS 905",CAS-123524-52-7,CAS123
524527,"CCRIS 8650",C33H34N4O6,"Calblock (TN)",ACMC-20a64r,ACMC20a64r,T0121,S3053}

> <pdid>
PD008993

> <targets>
{"Calcium Channel"}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{65948}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 S   0  0
    1.2810    2.2196    0.0000 O   0  0
   -0.0353    4.4996    0.0000 O   0  0
   -3.8963    3.7531    0.0000 C   0  0
   -3.8942    5.2531    0.0000 Cl  0  0
   -5.1966    3.0053    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 12 14  2  0
 10 15  1  0
 15 16  1  0
 15 17  1  0
  8 18  1  0
 18 19  2  0
 19  5  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11158

> <plate>
PLATE 003

> <well>
E8

> <supplier_cmpd_name>
Trichlormethiazide

> <ctcr_id>
677

> <supplier_cmpd_id>
T0114

> <smiles>
N[S](=O)(=O)c1cc2c(NC(N[S]2(=O)=O)C(Cl)Cl)cc1Cl

> <pd_targets>
{CA5A,CA7,CA13,CA4,AMPC,CA14,CA2,CA12,CA5B,CA6,CA9,CA1,SLC12A3,ATP1A1,LMNA,HTT}

> <pathway_gtopdb>
{Enzyme,Transporter,Lyase,Hydrolase,"Electrochemical transporter","Primary active transporter","SLC superfamily of solute carriers","P-type ATPase","SLC12 family of cation-coupled chloride transporter
s","Sodium potassium ATPase","Other nuclear protein","Unclassified protein"}

> <pathway_chembl>
{Enzymes,Transporters,"Carbonic anhydrases","SLC superfamily of solute carriers","P-type ATPases","SLC12 family of cation-coupled chloride transporters","P2C P-type ATPases",Na<sup>+</sup>/K<sup>+</su
p>-ATPases}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Cellular responses to external stimuli","Immune System",Disease,"Reversible hydration of carbon dioxide","O2/CO2 exchange in erythrocytes","Cellular respons
es to stress","Cytokine Signaling in Immune system","Disorders of transmembrane transporters","Infectious disease","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxi
a","Signaling by Interleukins","SLC transporter disorders","SARS-CoV Infections","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 family signaling","Defective SLC12A3 causes
 Gitelman syndrome (GS)","Potential therapeutics for SARS","Interleukin-12 signaling","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Cell Cycle","Gene expression
 (Transcription)",Mitotic,"RNA Polymerase II Transcription","M Phase","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Mitotic Anaphase","Regulat
ion of MECP2 expression and activity","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{PTGS1,PTGS2,SLC12A1}

> <broad_moa>
{"chloride channel blocker"}

> <synonyms>
{trichlormethiazide,133-67-5,133675,Trichloromethiazide,Naqua,Metahydrin,Trichlormetazid,Achletin,Trichlormethiazid,Diu-Hydrin,DiuHydrin,Chlopolidine,Hydrotrichlorothiazide,Aponorin,Cretonin,Diurazida
,Diuroral,Fluitran,Gangesol,Intromene,Isestran,Schebit,T0114,1500590,Prestw-825,Trichlormethiazide,TRICHLORMETHIAZIDE}

> <pdid>
PD002106

> <targets>
{}

> <classes>
{antihypertensive,diuretic}

> <pubchem_cids>
{5560}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 36  0  0  1  0            999 V2000
    6.5176  -10.3859    0.0000 C   0  0
    7.4010   -9.1736    0.0000 C   0  0
    6.7945   -7.8036    0.0000 C   0  0
    7.5445   -6.5046    0.0000 C   0  0
    9.0363   -6.3478    0.0000 C   0  0
    6.5408   -5.3899    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -5.1983    3.0012    0.0000 O   0  0
   -3.9005    5.2525    0.0000 N   0  0
   -5.2002    6.0029    0.0000 C   0  0  1  0  0  0
   -5.2034    7.5029    0.0000 C   0  0
   -6.5039    8.2502    0.0000 C   0  0
   -7.8014    7.4976    0.0000 C   0  0  2  0  0  0
   -9.1020    8.2449    0.0000 C   0  0
   -7.7984    5.9976    0.0000 C   0  0
   -6.4978    5.2502    0.0000 C   0  0
    5.3273   -7.4917    0.0000 C   0  0
    4.2066   -8.4888    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 26 25  1  6
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  0
 32 26  1  0
  7 33  1  0
 33  3  1  0
 33 34  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11159

> <plate>
PLATE 003

> <well>
E9

> <supplier_cmpd_name>
Glimepiride

> <ctcr_id>
4237

> <supplier_cmpd_id>
T0127

> <smiles>
CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)C1=O

> <pd_targets>
{ABCB11,ALD,RORC,ABCC3,ABCC4,ABCC8,KCNJ11,KCNJ1,HIF1A,CYP2C9}

> <pathway_gtopdb>
{Transporter,Enzyme,"Transcription factor","Ion channel","Primary active transporter","Nuclear receptor","Voltage-gated ion channel","Cytochrome P450","ATP-binding cassette","Nuclear hormone receptor 
subfamily 1","Potassium channels","Cytochrome P450 family 2","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F","ABCC subfamily","Inwardly rectifying potassium channel","Cytochrome P450 f
amily 2C","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9"}

> <pathway_chembl>
{Transporters,Receptors,"Ion channels",Enzymes,"ATP-binding cassette transporter family","Nuclear hormone receptors","Voltage-gated ion channels","Cytochrome P450","ABCB subfamily","1F. Retinoic acid-
related orphans","ABCC subfamily","Potassium channels","CYP2 family: drug metabolising subset","Inwardly rectifying potassium channels"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)",Hemostasis,Disease,"Neuronal System","Cellular responses to external stimuli","Metabolism of lipids","RNA Polymerase II Transcription","Platelet activatio
n","signaling and aggregation","Disorders of transmembrane transporters","Potassium Channels","Cellular responses to stress","Biological oxidations","Metabolism of steroids","Generic Transcription Pat
hway","Response to elevated platelet cytosolic Ca2+","ABC transporter disorders","Inwardly rectifying K+ channels","Cellular response to hypoxia","Phase I - Functionalization of compounds","Bile acid 
and bile salt metabolism","Transcriptional regulation by RUNX3","Platelet degranulation","Defective ABCC8 can cause hypo- and hyper-glycemias","Potassium transport channels","Oxygen-dependent proline 
hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","Synthesis of bile acids and bile salts","RUNX3 Regulates Immune Response and Cell Migration","Recycling
 of bile acids and salts",Xenobiotics,"Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions"}

> <broad_targets>
{ABCC8,KCNJ1,KCNJ11}

> <broad_moa>
{"insulin secretagogue"}

> <synonyms>
{AB00513874_11,AB0051387411,AB00513874-11,"AB00513874 11",glimepiride,93479-97-1,93479971,Amaryl,Glimepirid,Amarel,Glimepirida,Glimepiridum,Hoe-490,Hoe490,Glimepride,cis-Glimepiride,cisGlimepiride,"HO
E 490",UNII-24T6XIR2MZ,UNII24T6XIR2MZ,684286-46-2,684286462,CHEBI:5383,UNII-6KY687524K,UNII6KY687524K,Endial,24T6XIR2MZ,MFCD00878417,6KY687524K,NCGC00016960-,NCGC00016960,T0127,SAM001246710,Prestw-651
,Glimepiride,CPD000466368}

> <pdid>
PD000671

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3476}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 30  0  0  0  0            999 V2000
   10.0036    0.3134    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  3
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    3.8971    0.7500    0.0000 C   0  0
    5.1962    1.5000    0.0000 C   0  0
    5.1961    3.0000    0.0000 C   0  0
    6.6219    3.4636    0.0000 O   0  0
    7.5036    2.2501    0.0000 C   0  0
    6.6219    1.0365    0.0000 O   0  0
    3.8971    3.7500    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.9095   -2.9665    0.0000 O   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
  8 12  1  0
 12 13  2  0
 13  5  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16  4  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 21 25  1  0
 25 17  1  0
 25 26  2  0
 26  3  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11160

> <plate>
PLATE 003

> <well>
E10

> <supplier_cmpd_name>
Sanguinarine chloride

> <ctcr_id>
10950

> <supplier_cmpd_id>
T0129

> <smiles>
[Cl-].C[n+]1c2c3cc4c(OCO4)cc3ccc2c2ccc3c(OCO3)c2c1

> <pd_targets>
{HSD17B10,BCL2L1,RGS17,NFKB1,KDM4E,USP2,HPGD,CYP3A4,CYP2C9,STAT6,CYP2C19,RORC,ALOX15,ALOX12,CYP2D6,LMNA,MAPT,HIF1A,ALDH1A1,CHRM1,THPO,TP53,PKM,MAPK1,LEF,GNAI1,RGS12,CYP1A2,CDC42,BAD,HTT,TSHR,RAC1,PYK,
ALD,FFP,NFO,NPSR1,GMNN,BLM,KMT2A,MEN1,PMP22,POLB,NFKB2,RELA,MTOR}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein","Other cytosolic protein","Epigenetic regulator","Transcription factor","Other nuclear protein","Membrane receptor",Oxidoreductase,"Other ion channel",Eras
er,Protease,"Cytochrome P450","Nuclear receptor","Family A G protein-coupled receptor",Kinase,Hydrolase,Transferase,Reader,"Miscellaneous ion channel","Lysine demethylase","Cysteine protease","Cytochr
ome P450 family 3","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Protein Kinase","Metallo protease","Cytochrome P450 family 1","Peptide r
eceptor (family A GPCR)",Bromodomain,"Bcl-2 family","Jumonji domain-containing","Cysteine protease CA clan","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 
1 group F","Cytochrome P450 family 2D","Monoamine receptor","CMGC protein kinase group","Metallo protease MAE clan","Cytochrome P450 family 1A","Glycohormone receptor","Short peptide receptor (family 
A GPCR)","Atypical protein kinase group","Cysteine protease C19 family","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Cyto
chrome P450 2D6","Acetylcholine receptor","CMGC protein kinase MAPK family","Metallo protease M34 family","Cytochrome P450 1A1","Neuropeptide receptor","Cysteine protease C1A family","Atypical protein
 kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"B-cell lymphoma 2 (Bcl-2) protein family","Regulators of G protein Signaling (RGS) proteins","Chromatin modifying enzymes","Peptidases and proteinases","Eic
osanoid turnover","Cytochrome P450","Transcription factors","Nuclear hormone receptors","G protein-coupled receptors","2.7.1.40 Pyruvate kinases","Kinases (EC 2.7.x.x)","RZ family","1.14.11.- Histone 
demethylases","CA: Cysteine (C) Peptidases","Prostaglandin synthases","CYP3 family","CYP2 family: drug metabolising subset","STAT transcription factors","1F. Retinoic acid-related orphans",Lipoxygenas
es,"Acetylcholine receptors (muscarinic)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","R12 family","Glycoprotein hormone receptors","Neuropeptide S receptor","2.1.1.43 Histone methyl
transferases (HMTs)",Atypical,"C19: Ubiquitin-specific protease","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP
 subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Immune System","Gene expression (Transcription)","Cell Cycle","Neuronal System","Cellular responses to external stimuli",Hemostasis,"Programmed Cell Death","
Developmental Biology","DNA Repair","Metabolism of amino acids and derivatives","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GPCR","Cytokine Signali
ng in Immune system","RNA Polymerase II Transcription","Metabolism of lipids","Biological oxidations","Innate Immune System",Mitotic,"Transmission across Chemical Synapses","Cellular responses to stre
ss","Platelet activation","signaling and aggregation","Cell Cycle Checkpoints","Metabolism of carbohydrates","Infectious disease",Apoptosis,"Nervous system development","DNA Double-Strand Break Repair
","Base Excision Repair","Branched-chain amino acid catabolism","FLT3 signaling in disease","GPCR downstream signalling","Signaling by Interleukins","Generic Transcription Pathway","Biosynthesis of sp
ecialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cytosolic sensors of pathogen-associated DNA","M Phase","Neurotransmitter receptors and postsynaptic signal transmi
ssion","Cellular response to hypoxia","GPCR ligand binding","Platelet Aggregation (Plug Formation)","G1/S DNA Damage Checkpoints","Glucose metabolism","Toll-like Receptor Cascades","Uptake and actions
 of bacterial toxins","Leishmania infection","Intrinsic Pathway for Apoptosis","Axon guidance","Mitotic G1 phase and G1/S transition","Homology Directed Repair","EGR2 and SOX10-mediated initiation of 
Schwann cell myelination","Resolution of Abasic Sites (AP sites)","Signaling by FLT3 ITD and TKD mutants","G alpha (i) signalling events","Interleukin-1 family signaling","Transcriptional Regulation b
y TP53","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","STING mediated induction of host immune responses","Transcriptional regulation by RUNX3","Biosynthesis of DPA
-derived SPMs","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Ethanol oxidation","C
lass A/1 (Rhodopsin-like receptors)","p53-Dependent G1/S DNA damage checkpoint",Glycolysis,"Toll Like Receptor 5 (TLR5) Cascade","Uptake and function of anthrax toxins","Parasite infection","Activatio
n of BH3-only proteins","Transcriptional Regulation by MECP2","Leishmania parasite growth and survival","Semaphorin interactions","G1/S Transition","HDR through Homologous Recombination (HRR) or Singl
e Strand Annealing (SSA)","Transcriptional regulation by RUNX1","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","STAT5 activation downstream of FLT3 ITD mutants","Interl
eukin-1 signaling","Regulation of TP53 Activity","Biosynthesis of D-series resolvins","Biosynthesis of maresins",Xenobiotics,"STAT6-mediated induction of chemokines","RUNX3 Regulates Immune Response a
nd Cell Migration","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","Post NMDA receptor activation events","Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response","MyD88 cascade initia
ted on plasma membrane","Leishmania phagocytosis","Activation of BAD and translocation to mitochondria","Regulation of MECP2 expression and activity","Anti-inflammatory response favouring Leishmania p
arasite infection","Sema4D in semaphorin signaling","Activation of the pre-replicative complex","HDR through Homologous Recombination (HRR)","RUNX1 regulates genes involved in megakaryocyte differenti
ation and platelet function","PCNA-Dependent Long Patch Base Excision Repair","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Regulation of TP53 Expression and Degradation","Biosynthesis of maresin-like
 SPMs","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of DPAn-3-derived maresins","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDAR
s","Muscarinic acetylcholine receptors","Stabilization of p53","MAP kinase activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","FCGR3A-mediated phagocytosis","ADORA2B mediat
ed anti-inflammatory cytokines production","Sema4D mediated inhibition of cell attachment and migration","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Degradation","Initiation of Nu
clear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchan
ge","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CASP3}

> <broad_moa>
{"apoptosis stimulant"}

> <synonyms>
{"SANGUINARINE CHLORIDE",5578-73-4,5578734,"Sanguinarium Chloride","Sanguinarine chloride hydrate",Viadent,"Sanguinarine (chloride)","Sanguinarine hydrochloride",UNII-B8Z8J4400H,UNIIB8Z8J4400H,CHEMBL4
90129,"5578-73-4 (chloride)","5578734 (chloride)",B8Z8J4400H,Pseudocheleryt,T0129,"Sanguinarine chloride"}

> <pdid>
PD014367

> <targets>
{Egr-1,VEGFR}

> <classes>
{Angiogenesis,"JAK/STAT signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{68635}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  1  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1882    2.6401    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0  1  0  0  0
   -5.0133   -0.4928    0.0000 N   0  0
   -6.2410    0.3691    0.0000 C   0  0
   -4.9986   -1.9927    0.0000 C   0  0
   -3.5675   -2.4422    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0  2  0  0  0
   -1.8266   -2.4149    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.2953   -3.5558    0.0000 O   0  0
   10.2927   -2.0558    0.0000 C   0  0
   11.5907   -1.3040    0.0000 O   0  0
    8.9914   -1.3081    0.0000 C   0  0
    8.9914    0.1919    0.0000 C   0  0
    7.6924    0.9419    0.0000 C   0  0
    6.3933    0.1919    0.0000 C   0  0
    6.3933   -1.3081    0.0000 C   0  0
    7.6924   -2.0581    0.0000 C   0  0
    7.6924   -3.5581    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 12 10  1  6
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 17 18  1  1
 17 19  1  0
 19  9  1  0
 19 20  2  0
 20  6  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11161

> <plate>
PLATE 003

> <well>
E11

> <supplier_cmpd_name>
Physostigmine Salicylate

> <ctcr_id>
5291

> <supplier_cmpd_id>
T0130

> <smiles>
CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1.OC(=O)c4ccccc4O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS026749799,"Physostigmine salicylate",57-64-7,57647,"Eserine salicylate",UNII-2046ZRO9VU,UNII2046ZRO9VU,"57-64-7 (salicylate)","57647 (salicylate)",MLS000028388,2046ZRO9VU,CHEBI:48883,SMR000058606
,"Isopto Eserine","Physostol salicylate",SR-01000075341,SR01000075341,Physostigmine,T0130,1500486,"Physostigmine Salicylate","PHYSOSTIGMINE SALICYLATE"}

> <pdid>

> <targets>
{}

> <classes>
{anticholinesterase,miotic,cholinergic}

> <pubchem_cids>
{5992,657348}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  1  0            999 V2000
    5.0302   -9.5289    0.0000 N   0  0
    5.5724   -8.1304    0.0000 C   0  0
    7.0226   -7.7470    0.0000 S   0  0
    7.1061   -6.2493    0.0000 C   0  0
    5.7131   -5.7282    0.0000 C   0  0
    4.7596   -6.8697    0.0000 N   0  0
    5.3265   -4.2780    0.0000 C   0  0
    6.3872   -3.2163    0.0000 N   0  0
    5.9992   -1.7673    0.0000 O   0  0
    3.8775   -3.8868    0.0000 C   0  0
    2.8152   -4.9458    0.0000 O   0  0
    3.4909   -2.4366    0.0000 N   0  0
    2.0479   -2.0470    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  6
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 14  1  0
 19 20  1  0
 20 13  1  0
 20 21  2  0
 18 22  1  0
 22 23  1  0
 22 24  2  0
 17 25  1  0
 25 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11162

> <plate>
PLATE 003

> <well>
F2

> <supplier_cmpd_name>
Cefdinir

> <ctcr_id>
2724

> <supplier_cmpd_id>
T0133

> <smiles>
Nc1scc(n1)\C(=N\O)C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(O)=O)C=C

> <pd_targets>
{MEX-5,CTDSP1,POS-1,ABCC4,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PENA,PBP3,MPO}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transporter,Phosphatase,"Primary active transporter",Protease,Oxidoreductase,"Protein Phosphatase","ATP-binding cassette","Serine protease","Serine/threonine protein pho
sphatase","ABCC subfamily","Serine protease SE clan","Serine protease S11 family"}

> <pathway_chembl>
{Transporters,Enzymes,"ATP-binding cassette transporter family","1.-.-.- Oxidoreductases","ABCC subfamily"}

> <pathway_reactome>
{Hemostasis,"Immune System","Platelet activation","signaling and aggregation","Innate Immune System","Response to elevated platelet cytosolic Ca2+","ROS and RNS production in phagocytes","Platelet deg
ranulation","Events associated with phagocytolytic activity of PMN cells"}

> <broad_targets>
{MPO}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{Omnicef,91832-40-5,91832405,CFDN,Cefdinirum,Cefzon,CI-983,CI983,FK-482,FK482,"FK 482",UNII-CI0FAO63WC,UNIICI0FAO63WC,(E)-Cefdinir,(E)Cefdinir,"Cefdinir (Omnicef)",CHEBI:3485,BMY-28488,BMY28488,Cefdin
yl,CI0FAO63WC,Cefdirnir,"Cefdinirum (INN-Latin)","Cefdinirum (INNLatin)",Ceftinex,"BMY 28488","CI 983","Omnicef (TN)",1505208,Prestw-1263,CEFDINIR,Cefdinir}

> <pdid>
PD000564

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{6915944}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  1  0            999 V2000
   -1.4188  -10.5751    0.0000 C   0  0
   -1.8661   -9.1434    0.0000 C   0  0
   -0.8500   -8.0388    0.0000 C   0  0
   -1.2977   -6.6063    0.0000 C   0  0
   -0.2816   -5.5018    0.0000 C   0  0
    1.1821   -5.8297    0.0000 O   0  0
   -0.7292   -4.0692    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
 22 12  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25  8  1  0
 25 11  1  0
 25 26  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11163

> <plate>
PLATE 003

> <well>
F3

> <supplier_cmpd_name>
Estradiol valerate

> <ctcr_id>
3814

> <supplier_cmpd_id>
T0135

> <smiles>
CCCCC(=O)O[C@H]1CCC2C3CCc4cc(O)ccc4C3CC[C@]12C

> <pd_targets>
{RORC,POLB,SKA,MAPT,LMNA,KMT2A,ATM,ESR1,ESR2}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other cytosolic protein","Other nuclear protein","Epigenetic regulator","Nuclear receptor",Kinase,Reader,"Nuclear hormone receptor subfamily 1",Bromodomain,"Protein Kin
ase","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subf
amily 1 group F member 3","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group A member 2"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","1F. Retinoic acid-related orphans","2.1.1.43 Histone methyltransferases (HMTs)",Atypical,"Steroid h
ormone receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","3A. Estrogen receptors","Other PIKK family kinases"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair","Neuronal System","Cell Cycle","Signal Transduction","RNA Polymerase II Transcription","Base Excision Repair","Transmission across Chemical Synapses",Mi
totic,"Cell Cycle Checkpoints","Intracellular signaling by second messengers","Generic Transcription Pathway","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and postsynaptic signa
l transmission","M Phase","G1/S DNA Damage Checkpoints","PIP3 activates AKT signaling","Transcriptional regulation by RUNX3","Resolution of AP sites via the multiple-nucleotide patch replacement pathw
ay","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX1","p53-Dependent G1/S DNA damage checkpoint","Negative regulation of the
 PI3K/AKT network","RUNX3 Regulates Immune Response and Cell Migration","PCNA-Dependent Long Patch Base Excision Repair","Post NMDA receptor activation events","Mitotic Anaphase","RUNX1 regulates gene
s involved in megakaryocyte differentiation and platelet function","p53-Dependent G1 DNA Damage Response","RUNX1 regulates estrogen receptor mediated transcription",PI5P,"PP2A and IER3 Regulate PI3K/A
KT Signaling","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin
 ligase COP1"}

> <broad_targets>
{ESR1}

> <broad_moa>
{"estrogen receptor agonist"}

> <synonyms>
{Spectrum_001052,Spectrum001052,Spectrum-001052,"Spectrum 001052",Spectrum2_000973,Spectrum2000973,Spectrum2-000973,"Spectrum2 000973",Spectrum3_000422,Spectrum3000422,Spectrum3-000422,"Spectrum3 0004
22",Spectrum4_000541,Spectrum4000541,Spectrum4-000541,"Spectrum4 000541",Spectrum5_000674,Spectrum5000674,Spectrum5-000674,"Spectrum5 000674",BSPBio_002004,BSPBio002004,BSPBio-002004,"BSPBio 002004",K
BioGR_001201,KBioGR001201,KBioGR-001201,"KBioGR 001201",KBioSS_001532,KBioSS001532,KBioSS-001532,"KBioSS 001532",DivK1c_000883,DivK1c000883,DivK1c-000883,"DivK1c 000883",SPECTRUM1500284,SPBio_001005,S
PBio001005,SPBio-001005,"SPBio 001005",CHEBI:91682,HMS502M05,KBio1_000883,KBio1000883,KBio1-000883,"KBio1 000883",KBio2_001532,KBio2001532,KBio2-001532,"KBio2 001532",KBio2_004100,KBio2004100,KBio2-00
4100,"KBio2 004100",KBio,T0135,1500284,"Estradiol valerate","ESTRADIOL VALERATE"}

> <pdid>
PD002341

> <targets>
{}

> <classes>
{estrogen}

> <pubchem_cids>
{163332}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 23  0  0  0  0            999 V2000
    4.9852    2.6764    0.0000 C   0  0
    3.8856    1.6562    0.0000 N   0  0
    4.2194    0.1938    0.0000 C   0  0
    3.1198   -0.8265    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.4522    2.0983    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  5  1  0
 20 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11164

> <plate>
PLATE 003

> <well>
F4

> <supplier_cmpd_name>
Mirtazapine

> <ctcr_id>
2914

> <supplier_cmpd_id>
T0137

> <smiles>
CN1CCN2C(C1)c3ccccc3Cc4cccnc24

> <pd_targets>
{ADRA2A,HTR2A,DRD2,HTR2C,HTR7,CYP2C19,CYP2D6,ADRA2C,HTR1A,SLC6A2,TSHR,CYP2C9,ADRA2B,ADRA1A,ADRA1B,ADRA1D,HRH1,CYP1A2,DRD3,HTR3A,OPRK1,AMPC,HTR2B}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,Transporter,"Ion channel","Family A G protein-coupled receptor","Cytochrome P450","Electrochemical transporter","Ligand-gated ion channel",Hydrolase,"Small molecule recepto
r (family A GPCR)","Cytochrome P450 family 2","SLC superfamily of solute carriers","Peptide receptor (family A GPCR)","Cytochrome P450 family 1","5HT3 receptor","Monoamine receptor","Cytochrome P450 f
amily 2C","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","Glycohormone receptor","Cytochrome P450 family 1A","Short peptide receptor (family A GPCR)","Adrenergic receptor","Se
rotonin receptor","Dopamine receptor","Cytochrome P450 2C19","Cytochrome P450 2D6","Cytochrome P450 2C9","Histamine receptor","Cytochrome P450 1A1","Opioid receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","Cytochrome P450","Ligand-gated ion channels",Adrenoceptors,"5-Hydroxytryptamine receptors","Dopamine receptors","CYP2 family: drug meta
bolising subset","Glycoprotein hormone receptors","Histamine receptors","CYP1 family","5-HT<sub>3</sub> receptors","Opioid receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Neuronal System","Gene expression (Transcription)","Signaling by GPCR","Infectious disease","Biological oxidations","Transmission across Chemical Synapses","
RNA Polymerase II Transcription","GPCR ligand binding","Leishmania infection","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Generic Tran
scription Pathway","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by MECP2","Amine ligand-b
inding receptors","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"MECP2 regulates neuronal receptors and channels",Adrenoceptors,"Serotonin receptors","Dopamine recep
tors","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Histamine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{ADRA2A,ADRA2B,ADRA2C,HTR2A,HTR2C}

> <broad_moa>
{"adrenergic receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{mirtazapine,85650-52-8,85650528,Remeron,61337-67-5,61337675,Mepirzepine,Remergil,Zispin,Remergon,Mirtazepine,Rexer,6-Azamianserin,6Azamianserin,"Remeron SolTab",Mepirzapin,Mirtazipine,Promyrtil,Norse
t,"ORG 3770",Mirtazapina,Avanza,Mirtazapinum,"Mirtazapinum (INN-Latin)","Mirtazapinum (INNLatin)",Mi,T0137,SAM001246659,Prestw-1144,Mirtazapine,CPD000466347}

> <pdid>
PD000124

> <targets>
{5-HT Receptor,Adrenergic Receptor,Histamine Receptor}

> <classes>
{GPCR/G Protein,Immunology/Inflammation,Neuronal Signaling}

> <pubchem_cids>
{4205}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 46  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 S   0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 N   0  0
    0.7488    2.7970    0.0000 C   0  0
    0.3606    4.2459    0.0000 O   0  0
    2.0478    2.0470    0.0000 C   0  0  1  0  0  0
    3.4909    2.4367    0.0000 N   0  0
    3.8775    3.8868    0.0000 C   0  0
    2.8152    4.9458    0.0000 O   0  0
    5.3265    4.2781    0.0000 C   0  0  2  0  0  0
    5.7130    5.7282    0.0000 N   0  0
    7.1620    6.1194    0.0000 C   0  0
    8.2243    5.0605    0.0000 O   0  0
    7.5486    7.5696    0.0000 C   0  0
    8.9962    7.9627    0.0000 C   0  0
   10.0604    6.9056    0.0000 O   0  0
    9.3796    9.4129    0.0000 C   0  0
    8.3154   10.4701    0.0000 C   0  0
    6.8678   10.0770    0.0000 N   0  0
    6.4844    8.6269    0.0000 C   0  0
    8.6989   11.9202    0.0000 C   0  0
    6.3893    3.2186    0.0000 C   0  0
    7.8382    3.6070    0.0000 C   0  0
    8.8991    2.5466    0.0000 C   0  0
    8.5112    1.0976    0.0000 C   0  0
    9.5722    0.0372    0.0000 O   0  0
    7.0624    0.7091    0.0000 C   0  0
    6.0015    1.7695    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 S   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -4.0312   -5.2379    0.0000 N   0  0
   -5.4984   -5.5497    0.0000 N   0  0
   -6.2484   -4.2507    0.0000 N   0  0
   -5.2447   -3.1360    0.0000 N   0  0
   -2.9105   -6.2349    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8983    0.7459    0.0000 O   0  0
   -2.6030    2.9977    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  2  1  0
  6  7  1  1
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  6
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 18 21  1  0
 10 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 22  1  0
  3 29  1  0
 29 30  2  3
 30 31  1  0
 31  1  1  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 34  2  0
 35 39  1  0
 29 40  1  0
 40 41  2  0
 40 42  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11165

> <plate>
PLATE 003

> <well>
F5

> <supplier_cmpd_name>
Cefpiramide acid

> <ctcr_id>
10951

> <supplier_cmpd_id>
T0138

> <smiles>
S1[C@H]2N(C(=O)[C@H]2NC(=O)[C@H](NC(=O)c2c(O)cc(nc2)C)c2ccc(O)cc2)C(=C(C1)CSc1n(nnn1)C)C(=O)O

> <pd_targets>
{FTSI,MRCB,MRCA,PONB,DACC,MECA,DACA,DACB,MRDA}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease unclassified","Serine protease SE clan","Serine protease S11 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{cefpiramide,"Cefpiramide acid",Cefpiramido,Cefpiramidum,70797-11-4,70797114,UNII-P936YA152N,UNIIP936YA152N,CHEBI:59213,P936YA152N,NCGC00167444-01,NCGC0016744401,"WY-44,635","WY44,635","SM 1652","WY 4
4,635",C25H24N8O7S2,WY-44635,WY44635,"Cefpiramidum (INN-Latin)","Cefpiramidum (INNLatin)","Cefpiramido (INN-Spanish)","Cefpiramido (INNSpanish)",Ce,T0138}

> <pdid>
PD000838

> <targets>
{PBPs}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{636405}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  1  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6078    5.9988    0.0000 O   0  0
    2.6109    7.4988    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -2.5800   -0.0305    0.0000 O   0  0
   -1.2638    2.2496    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 S   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5523   -4.4208    0.0000 S   0  0
   -1.8019   -5.7196    0.0000 N   0  0
   -4.0523   -4.4218    0.0000 O   0  0
   -3.3017   -5.7202    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  6 12  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19  4  1  0
 19 15  2  0
 17 20  1  0
 20 21  1  0
 20 22  2  0
 20 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11166

> <plate>
PLATE 003

> <well>
F6

> <supplier_cmpd_name>
Brinzolamide

> <ctcr_id>
2856

> <supplier_cmpd_id>
T0142

> <smiles>
CCN[C@H]1CN(CCCOC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O

> <pd_targets>
{CA9,CA2,CA1,CA12,CA14,CA7,CYNT,CA6,NCE103,CA4,MTCA1,CA13,CA5A,CA5B,CA15,MTCA2,1272966,CA3}

> <pathway_gtopdb>
{Enzyme,Lyase}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Transport of small molecules","Immune System",Metabolism,"Cellular responses to stress","O2/CO2 exchange in erythrocytes","Cytokine Signaling in Immune syste
m","Reversible hydration of carbon dioxide","Cellular response to hypoxia","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins","Regulation of gene expression by Hypoxi
a-inducible Factor","Interleukin-12 family signaling","Interleukin-12 signaling","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation"}

> <broad_targets>
{CA1,CA12,CA14,CA2,CA4,CA5A,CA7}

> <broad_moa>
{"carbonic anhydrase inhibitor"}

> <synonyms>
{RESTW36,Brinzolamide,138890-62-7,138890627,Azopt,AL-4862,AL4862,"AL 4862",Birnzolamide,MFCD08067749,UNII-9451Z89515,UNII9451Z89515,CHEBI:3176,DSSTox_CID_25531,DSSToxCID25531,DSSTox-CID-25531,"DSSTox 
CID 25531",DSSTox_RID_80934,DSSToxRID80934,DSSTox-RID-80934,"DSSTox RID 80934",DSSTox_GSID_45531,DSSToxGSID45531,DSSTox-GSID-45531,"DSSTox GSID 45531",138890-50-3,138890503,BZ1,9451Z89515,C12H21N3O5S3
,"Brinzolamide (BRZ)","Azopt (TN)","Brinzolamide (J",T0142,S3178,Prestw-365}

> <pdid>
PD001127

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{68844}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
   -1.2250   -6.6252    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.2443   -5.8182    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  1  0
 17 18  2  0
 18  5  1  0
 18  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11167

> <plate>
PLATE 003

> <well>
F7

> <supplier_cmpd_name>
Imiquimod

> <ctcr_id>
6391

> <supplier_cmpd_id>
T0134

> <smiles>
CC(C)Cn1cnc2c(N)nc3ccccc3c12

> <pd_targets>
{TLR7,LMNA,HRH2,ADORA2A,ADRA1D,TLR8}

> <pathway_gtopdb>
{"Membrane receptor","Other nuclear protein","Toll-like and Il-1 receptors","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Nucleotide-like recept
or (family A GPCR)","Histamine receptor","Adenosine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","G protein-coupled receptors","Pattern recognition receptors","Histamine receptors","Adenosine receptors",Adrenoceptors,"Toll-like receptor family"}

> <pathway_reactome>
{"Immune System","Cell Cycle",Disease,"Signal Transduction","Innate Immune System",Mitotic,"Infectious disease","Signaling by GPCR","Toll-like Receptor Cascades","M Phase","Leishmania infection","GPCR
 ligand binding","Toll Like Receptor 7/8 (TLR7/8) Cascade","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","MyD88 dependent cascade in
itiated on endosome","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","TRAF6 mediated induction of NFkB and MAP kinases upon TLR
7/8 or 9 activation","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors,"Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TLR7,TLR8}

> <broad_moa>
{"interferon inducer","toll-like receptor agonist"}

> <synonyms>
{AK209015,SMR000048307,SY017571,FT-0602727,FT0602727,I0747,D02500,J10325,Z-4416,Z4416,"1-isobutyl-1H-imidazo (4,5-c)quinolin-4-amine","1isobutyl1Himidazo (4,5c)quinolin4amine","1-isobutyl-1H-imidazo(4
,5-c)quinoline-4-amine","1isobutyl1Himidazo(4,5c)quinoline4amine",AB00399298-05,AB0039929805,AB00399298-06,AB0039929806,AB00399298-07,AB0039929807,AB00399298_08,AB0039929808,AB00399298-08,"AB00399298 
08",AB00399298_09,AB0039929809,AB00399298-09,"AB00399298 09",T0134,369100,Prestw-1291,"NSC 369100",Imiquimod}

> <pdid>
PD002592

> <targets>
{}

> <classes>
{"TLR7 agonist"}

> <pubchem_cids>
{57469}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 54 53  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 O   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.3996    1.4837    0.0000 C   0  0
   -9.0964   -0.7636    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   25.8705   -8.2644    0.0000 C   0  0
   24.5730   -7.5117    0.0000 C   0  0
   23.2727   -8.2595    0.0000 C   0  0
   24.5751   -6.0109    0.0000 N   0  0
   23.2769   -5.2578    0.0000 C   0  0
   23.2791   -3.7570    0.0000 C   0  0
   24.5794   -3.0093    0.0000 O   0  0
   21.9809   -3.0039    0.0000 C   0  0
   21.9830   -1.5031    0.0000 O   0  0
   20.6848   -0.7500    0.0000 C   0  0
   20.6848    0.7500    0.0000 C   0  0
   19.3857    1.5000    0.0000 C   0  0
   18.0867    0.7500    0.0000 C   0  0
   16.7854    1.4977    0.0000 C   0  0
   15.4867    0.7455    0.0000 O   0  0
   14.1854    1.4932    0.0000 C   0  0
   12.8867    0.7409    0.0000 C   0  0
   11.5854    1.4887    0.0000 O   0  0
   10.2868    0.7364    0.0000 C   0  0
    8.9862    1.4837    0.0000 C   0  0
   10.2894   -0.7636    0.0000 C   0  0
   18.0867   -0.7500    0.0000 C   0  0
   19.3858   -1.5000    0.0000 C   0  0
   29.6712   -1.5074    0.0000 O   0  0
   29.6712   -3.0074    0.0000 C   0  0
   28.3719   -3.7570    0.0000 O   0  0
   30.9712   -3.7574    0.0000 C   0  0
   32.2712   -3.0074    0.0000 C   0  0
   33.5712   -3.7574    0.0000 C   0  0
   33.5712   -5.2574    0.0000 O   0  0
   34.8705   -3.0078    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 13 22  1  0
 22 23  2  0
 23 10  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 42 44  1  0
 36 45  1  0
 45 46  2  0
 46 33  1  0
 47 48  1  0
 48 49  2  0
 48 50  1  0
 50 51  2  0
 51 52  1  0
 52 53  1  0
 52 54  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11168

> <plate>
PLATE 003

> <well>
F8

> <supplier_cmpd_name>
(±)-Bisoprolol hemifumarate

> <ctcr_id>
1903

> <supplier_cmpd_id>
T0143

> <smiles>
CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc2ccc(COCCOC(C)C)cc2.OC(=O)\C=C\C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Bisoprolol fumarate",CHEBI:3128,104344-23-2,104344232,"Bisoprolol hemifumarate","Bisoprolol hemifumarate salt",Zebeta,Fondril,Maintate,Monocor,Concor,Emcor,Soprol,"(+/-)-Bisoprolol hemifumarate","(+
/)Bisoprolol hemifumarate",NCGC00094255-01,NCGC0009425501,"(+/-)-Bisoprolol (hemifumarate","(+/)Bisoprolol (hemifumarate",T0143,Prestw-330,"(±)-Bisoprolol hemifumarate"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{25137873,6850796,5281064}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.5133   -2.9102    0.0000 C   0  0
    1.9910   -3.1685    0.0000 C   0  0
    2.5062   -4.5772    0.0000 C   0  0
    1.5439   -5.7278    0.0000 C   0  0
    0.0662   -5.4697    0.0000 C   0  0
   -0.8961   -6.6203    0.0000 Cl  0  0
   -0.4490   -4.0609    0.0000 C   0  0
   -1.9267   -3.8029    0.0000 Cl  0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8926   -3.7566    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12  6  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 13  1  0
 19 20  1  0
 11 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 10 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11169

> <plate>
PLATE 003

> <well>
F9

> <supplier_cmpd_name>
Felodipine

> <ctcr_id>
5436

> <supplier_cmpd_id>
T0145

> <smiles>
CCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C

> <pd_targets>
{SCN1A,SCN2A,SCN3A,AURKB,LMNA,NPSR1,NS1,BLM,GMNN,NR1H4,CFTR,NFO,NR1I2,PMP22,KDM4E,MAPT,ABCB1,ADORA3,ABCB11,CYP2C9,MTOR,CACNA1C,CACNA1D,CACNA1F,CACNA1S,NR3C2,CACNA2D1,CACNB2,CACNA1H,CACNA2D2,CALM1,PDE1
B,PDE1A,TNNC2,TNNC1,HSD17B10,CYP2C19,ALDH1A1,LEF,CYP1A2,HIF1A,CYP3A4,HPGD}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other nuclear protein","Membrane receptor","Unclassified protein","Transcription factor","Epigenetic regulator","Other cytosolic protein",Transporter,"Auxiliary transport protei
n","Voltage-gated ion channel",Protease,Kinase,"Family A G protein-coupled receptor","Nuclear receptor","Other ion channel",Hydrolase,Eraser,"Primary active transporter","Cytochrome P450","Calcium cha
nnel auxiliary subunit alpha2delta family","Calcium channel auxiliary subunit beta family",Phosphodiesterase,Oxidoreductase,"Voltage-gated sodium channel","Cysteine protease","Protein Kinase","Peptide
 receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Chloride channel","Lysine demethylase","ATP-binding cassette","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","V
oltage-gated calcium channel","Nuclear hormone receptor subfamily 3","Phosphodiesterase 1","Metallo protease","Cytochrome P450 family 1","Cytochrome P450 family 3","Cysteine protease CA clan","Other p
rotein kinase group","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group H","Cystic fibrosis transmembrane conductance regulator","Nuclear hormone receptor subfamily 1
 group I","Jumonji domain-containing","ABCB subfamily","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 family 2C","Atypical protein kinase group","Nuclear hormone receptor subfamily 3 grou
p C","Phosphodiesterase 1B","Phosphodiesterase 1A","Metallo protease MAE clan","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Cysteine protease C1A family","Other protein kinase AUR family",
"Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group H member 4","Nuclear hormone receptor subfamily 1 group I member 2","Adenosine receptor","Cytochrome P450 2C9","Atypical protein kin
ase PIKK family","Nuclear hormone receptor subfamily 3 group C member 2","Cytochrome P450 2C19","Metallo protease M34 family","Cytochrome P450 1A1","Cytochrome P450 3A4","Atypical protein kinase FRAP 
subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,Transporters,"Catalytic receptors","G protein-coupled receptors","Nuclear hormone receptors","Other ion channels","Chromatin modifying enzymes","ATP-binding cassette 
transporter family","Cytochrome P450","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Cyclic nucleotide turnover/signalling","Eicosanoid turnover","Receptor kinases","Neuropeptide S receptor","1H
. Liver X receptor-like receptors","Chloride channels","1I. Vitamin D receptor-like receptors","1.14.11.- Histone demethylases","ABCB subfamily","Adenosine receptors","CYP2 family: drug metabolising s
ubset",Atypical,"Steroid hormone receptors","Voltage-gated calcium channels",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","CYP1 family","CYP3 family","Prostaglandin synthases","Other protein ki
nases",CFTR,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","3C. 3-Ketosteroid receptors","Aurora kinase (Aur) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,"DNA Repair",Metabolism,Autophagy,"Metabolism of proteins","Developmental Biology","Neuronal System","Signal Transduction","Gene expression (Transcription)","Muscle contraction",
"Cellular responses to external stimuli",Mitotic,"Infectious disease","DNA Double-Strand Break Repair","Metabolism of lipids",Macroautophagy,"Post-translational protein modification","Nervous system d
evelopment","Transmission across Chemical Synapses","Abacavir transport and metabolism","Signaling by GPCR","Biological oxidations","RNA Polymerase II Transcription","Integration of energy metabolism"
,"Intracellular signaling by second messengers","Striated Muscle Contraction","Metabolism of amino acids and derivatives","Cellular responses to stress","M Phase","Leishmania infection","Homology Dire
cted Repair","Mitotic G1 phase and G1/S transition","Metabolism of steroids","Selective autophagy",SUMOylation,"EGR2 and SOX10-mediated initiation of Schwann cell myelination","Neurotransmitter recept
ors and postsynaptic signal transmission","Abacavir transmembrane transport","GPCR ligand binding","Phase I - Functionalization of compounds","Generic Transcription Pathway","Axon guidance","Regulatio
n of insulin secretion","DAG and IP3 signaling","Branched-chain amino acid catabolism","Uptake and actions of bacterial toxins","Cellular response to hypoxia","Biosynthesis of specialized proresolving
 mediators (SPMs)","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G1/S Transition","Bile acid
 and bile salt metabolism",Aggrephagy,"SUMO E3 ligases SUMOylate target proteins","Activation of NMDA receptors and postsynaptic events","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arran
ged by substrate type","Transcriptional Regulation by TP53","NCAM signaling for neurite out-growth",Adrenaline,"noradrenaline inhibits insulin secretion","CaM pathway","Ethanol oxidation","Uptake and 
function of anthrax toxins","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Mitotic Anaphase","Anti-inflammatory response favouring Leish
mania parasite infection","HDR through Homologous Recombination (HRR)","Activation of the pre-replicative complex","Synthesis of bile acids and bile salts","SUMOylation of intracellular receptors","Po
st NMDA receptor activation events","Nucleotide-like (purinergic) receptors",Xenobiotics,"Regulation of TP53 Activity","NCAM1 interactions","Calmodulin induced events","Biosynthesis of maresins","Bios
ynthesis of D-series resolvins","Separation of Sister Chromatids","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing and Strand Exchan
ge","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Activation of AMPK downstream of NMDARs","Adenosine P1 receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxychol
esterol","CYP2E1 reactions","Regulation of TP53 Expression and Degradation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Cam-PDE 1 activation","Aromatic amines c
an be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"
,"Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{CFTR}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{felodipine,72509-76-3,72509763,Plendil,Flodil,Renedil,Feloday,Munobal,Splendil,dl-Felodipine,dlFelodipine,Perfudal,Prevex,Hydac,Modip,Agon,Felodipina,Felodipinum,"Felodipinum (INN-Latin)","Felodipinu
m (INNLatin)","Felodipina (INN-Spanish)","Felodipina (INNSpanish)",C18H19Cl2NO4,86189-69-7,86189697,"Felodipine (Plendil)","H 1",T0145,Prestw-478,Felodipine}

> <pdid>
PD000685

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3333}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5977    1.5021    0.0000 C   0  0
   -2.5952    3.0029    0.0000 C   0  0
   -1.2947    3.7520    0.0000 N   0  0
   -1.1523    5.2324    0.0000 C   0  0
    0.3159    5.5398    0.0000 C   0  0
    1.0619    4.2384    0.0000 N   0  0
    0.0548    3.1268    0.0000 C   0  0
   -3.8983    0.7530    0.0000 O   0  0
   -3.9007   -0.7478    0.0000 C   0  0
   -5.2013   -1.4968    0.0000 C   0  0
   -6.5508   -0.8716    0.0000 C   0  0
   -7.5579   -1.9833    0.0000 C   0  0
   -6.8119   -3.2846    0.0000 S   0  0
   -5.3437   -2.9773    0.0000 C   0  0
   -4.2261   -3.9778    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
  6 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 15  2  0
 19 20  1  0
  5 21  1  0
 21 22  1  0
 21 23  2  0
 23  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11170

> <plate>
PLATE 003

> <well>
F10

> <supplier_cmpd_name>
Vagistat

> <ctcr_id>
6977

> <supplier_cmpd_id>
T0146

> <smiles>
Clc1ccc(C(Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1

> <pd_targets>
{RORC,CYP17A1,ERG11,CYP51A1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Nuclear receptor","Cytochrome P450","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 17","Cytochrome P450 family 51","Nuclear hormone receptor subfamily 1
 group F","Cytochrome P450 family 17A","Cytochrome P450 family 51A","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 17A1","Cytochrome P450 51A1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","1F. Retinoic acid-related orphans",CYP11,CYP17,CYP19,"CYP20 and CYP21 families",CYP39,"CYP46 and CYP51 families"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Metabolism of lipids","Biological oxidations","Generic Transcription Pathway","Metabolism of steroids","Phase I - Funct
ionalization of compounds","Transcriptional regulation by RUNX3","Metabolism of steroid hormones","Cytochrome P450 - arranged by substrate type","RUNX3 Regulates Immune Response and Cell Migration","A
ndrogen biosynthesis","Endogenous sterols"}

> <broad_targets>
{}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{65899-73-2,65899732,Vagistat,Trosyl,Vagistat-1,Vagistat1,Trosyd,Gyno-trosyd,Gynotrosyd,Fungibacid,Tioconazolum,Zoniden,"Tioconazol (INN-Spanish)","Tioconazol (INNSpanish)","Tioconazolum (INN-Latin)",
"Tioconazolum (INNLatin)",UK-20349,UK20349,"1-(2-((2-chlorothiophen-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)imidazole","1(2((2chlorothiophen3yl)methoxy)2(2,4dichlorophenyl)ethyl)imidazole",T0146,150
5581,Prestw-1184,TIOCONAZOLE,Tioconazole}

> <pdid>
PD000358

> <targets>
{}

> <classes>
{antifungal}

> <pubchem_cids>
{5482}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 33  0  0  1  0            999 V2000
    6.6910   -7.0166    0.0000 C   0  0
    7.4003   -5.6949    0.0000 N   0  3
    8.8853   -5.4831    0.0000 C   0  0
    9.1427   -4.0053    0.0000 C   0  0
    7.8169   -3.3038    0.0000 C   0  0
    6.7615   -4.3518    0.0000 C   0  0  2  0  0  0
    5.2835   -4.0912    0.0000 C   0  0
    4.7693   -2.6812    0.0000 C   0  0
    3.2913   -2.4206    0.0000 O   0  0
    2.7771   -1.0106    0.0000 C   0  0  2  0  0  0
    3.7409    0.1388    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.8128   -2.1606    0.0000 C   0  0
    2.3262   -3.5699    0.0000 C   0  0
    1.3624   -4.7193    0.0000 C   0  0
   -0.1149   -4.4593    0.0000 C   0  0
   -1.0787   -5.6087    0.0000 Cl  0  0
   -0.6283   -3.0499    0.0000 C   0  0
    0.3355   -1.9006    0.0000 C   0  0
   11.3563   -1.6166    0.0000 O   0  0
   11.3563   -3.1166    0.0000 C   0  0
   10.0570   -3.8662    0.0000 O   0  0
   12.6563   -3.8666    0.0000 C   0  0
   13.9563   -3.1166    0.0000 C   0  0
   15.2563   -3.8666    0.0000 C   0  0
   15.2563   -5.3666    0.0000 O   0  5
   16.5556   -3.1171    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 10 18  1  6
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
M  CHG  2   2   1  31  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11171

> <plate>
PLATE 003

> <well>
F11

> <supplier_cmpd_name>
Clemastine fumarate

> <ctcr_id>
2907

> <supplier_cmpd_id>
T0147

> <smiles>
C[NH+]1CCC[C@@H]1CCO[C@](C)(c2ccccc2)c3ccc(Cl)cc3.OC(=O)/C=C/C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW30,"CLEMASTINE FUMARATE",14976-57-9,14976579,Tavist,Agasten,"Clemastine hydrogen fumarate","Meclastine fumarate",Tavegil,"Clemastine (fumarate)",UNII-19259EGQ3D,UNII19259EGQ3D,CHEBI:3739,Meclopr
odine,Aloginan,Xolamin,19259EGQ3D,"14976-57-9 (FUMARATE)","14976579 (FUMARATE)",Alphamin,Anhistan,C,S1847,1500191,Prestw-306,"Clemastine Fumarate",CLEMASTINE,"Clemastine fumarate"}

> <pdid>

> <targets>
{Histamine Receptor,Autophagy}

> <classes>
{antihistaminic,Neuronal Signaling,Autophagy,GPCR/G Protein,Immunology/Inflammation}

> <pubchem_cids>
{5281069,6426695}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 36  0  0  1  0            999 V2000
    5.0987    4.5037    0.0000 Ca  0  2
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -6.4971    0.7455    0.0000 N   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -9.0975    0.7432    0.0000 C   0  0
  -10.3965    1.4932    0.0000 C   0  0
  -10.3966    2.9932    0.0000 C   0  0
   -9.0976    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
  -11.6948    3.7462    0.0000 C   0  0
  -12.9951    2.9985    0.0000 O   0  0
  -11.6927    5.2471    0.0000 N   0  0
  -12.9910    6.0001    0.0000 C   0  0  1  0  0  0
  -12.9889    7.5009    0.0000 C   0  0
  -14.2871    8.2540    0.0000 C   0  0
  -14.2850    9.7548    0.0000 C   0  0
  -12.9847   10.5026    0.0000 O   0  5
  -15.5825   10.5074    0.0000 O   0  0
  -14.2935    5.2546    0.0000 C   0  0
  -14.2987    3.7546    0.0000 O   0  5
  -15.5902    6.0087    0.0000 O   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.6012    3.0008    0.0000 C   0  0
   -3.9013    3.7490    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 23 22  1  6
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 23 29  1  0
 29 30  1  0
 29 31  2  0
 11 32  1  0
 32  7  1  0
 32 33  1  0
 33 34  2  0
  8 35  1  0
 35  3  1  0
M  CHG  3   1   2  27  -1  30  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11172

> <plate>
PLATE 003

> <well>
G2

> <supplier_cmpd_name>
Calcium folinate

> <ctcr_id>
2448

> <supplier_cmpd_id>
T0148

> <smiles>
[Ca++].NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW73,"calcium folinate",1492-18-8,1492188,AKOS015960758,T6431,T0148L,T0148,1500364,Prestw-738,"Calcium Levofolinate","Folinic Acid Calcium Salt Pentahydrate","Calcium folinate","LEUCOVORIN CALCIUM
","Folinic acid calcium salt"}

> <pdid>

> <targets>
{}

> <classes>
{antianemic,"antidote to folic acid antagonists"}

> <pubchem_cids>
{15150,78759347,443893}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
    3.8794    3.7535    0.0000 C   0  0
    5.1821    3.0099    0.0000 O   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1981   -2.9955    0.0000 C   0  0
   -6.4993   -3.7433    0.0000 C   0  0
   -7.7980   -2.9910    0.0000 C   0  0
   -9.0993   -3.7387    0.0000 N   0  0
  -10.3984   -2.9888    0.0000 C   0  0
  -11.6975   -3.7388    0.0000 C   0  0
  -11.6975   -5.2388    0.0000 N   0  0
  -12.9965   -5.9887    0.0000 C   0  0
  -10.3985   -5.9888    0.0000 C   0  0
   -9.0994   -5.2388    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0042   -5.9990    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5988    1.5004    0.0000 C   0  0
    3.8978    2.2504    0.0000 N   0  0
    5.2007   -1.4909    0.0000 C   0  0
    5.2059   -2.9909    0.0000 Cl  0  0
    6.4972   -0.7364    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    7.7884    1.5180    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 18  1  0
 13 25  2  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  2  0
 29  7  1  0
 29 11  1  0
  8 30  1  0
 30 31  3  0
  5 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35  3  1  0
 35 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11173

> <plate>
PLATE 003

> <well>
G3

> <supplier_cmpd_name>
Bosutinib

> <ctcr_id>
570

> <supplier_cmpd_id>
T0152

> <smiles>
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

> <pd_targets>
{EPHA4,JAK2,MAP3K12,CDK14,SLK,SRC,FYN,ABL1,PAK1,CLK2,FLT3,ALK,MINK1,EGFR,MET,ROCK2,LRRK2,MAP3K19,MAP2K2,RIOK1,KIT,LCK,TAOK3,MYO3A,CIT,STK36,BMP2K,MAP4K4,TNK2,BMX,MAP2K1,BTK,FGR,PTK2B,STK4,ERBB4,STK32A
,RIOK3,WEE1,CDK7,DDR2,DDR1,PAK3,MAP2K3,TIE1,STK3,STK25,MAP3K2,SRPK3,ULK2,AXL,FES,IRAK4,SYK,MAP4K2,TEC,STK24,MERTK,NEK2,ERBB3,PAK2,RPS6KB1,MAP3K13,PKMYT1,CAMK1D,ABL2,LYN,PDGFRA,RIPK2,STK33,DCLK3,GRK7,H
IPK4,NIM1K,STK10,SIK1,YES1,HCK,TXK,NTRK3,TLK2,CHEK2,MAP2K5,DSTYK,PIP5K1A,CHEK1,MAP3K3,MST1R,CLK4,SRMS,STK35,MAP3K1,EIF2AK1,ANKK1,NEK11,HIPK1,WEE2,PLK1,MYO3B,BMPR2,MAP4K3,TNNI3K,EPHA6,MAPK7,TAOK2,PTK2,
LTK,DMPK,EPHA1,EPHA3,PRKCD,TYRO3,TLK1,IKBKE,RET,ERBB2,TEK,CLK3,CASK,PRKAA1,EPHB6,EPHB3,HIPK3,VRK2,STK39,NUAK1,TNIK,STK26,MAP3K4,EPHB2,EPHB4,JAK3,FRK,RPS6KA3,MAP4K5,PKNB,TSSK1B,TBK1,BLK,NTRK1,SIK3,TAOK
1,CAMK2G,CLK1,HIPK2,MAP3K7,CSNK1A1,ULK1,MYLK,NUAK2,GAK,PKN2,PRKD3,EPHA8,EPHA5,PKN1,CSK,EPHA2,EPHB1,CSF1R,PRKCE,ITK,CAMKK2,EIF2AK4,ULK3,MATK,TYK2,FER,NTRK2,AAK1,NLK,MAST1,SIK2,MAP2K7,GRK4,ROCK1,PHKG1,P
LK2,RPS6KA2,RPS6KA6,MAP4K1,PDGFRB,BCR,CSNK1E,MAP3K11,MAP2K6,MAP2K4,MAP3K20,HUNK,CDK16,PHKG2,MAP3K9,CSNK1A1L,ZAP70,CDK15,CAMK2A,IRAK1,PRKCQ,CSNK1D,NPM1,CDK2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","CMGC protein kinase group","TKL protein kinase group","AGC protein kinase group","Atypical 
protein kinase group","Other protein kinase group","CAMK protein kinase group","CK1 protein kinase group","Tyrosine protein kinase Eph family","Tyrosine protein kinase JakA family","CMGC protein kinas
e CDK family","STE protein kinase STE20 family","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","CMGC protein kinase CLK family","Tyrosine protein kinase PDGFR family","TKL p
rotein kinase STKR family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Met family","AGC protein kinase DMPK family","TKL protein kinase LRRK family","STE protein kinase STE11 family
","STE protein kinase STE7 family","Atypical protein kinase RIO family","Other protein kinase ULK family","Other protein kinase NAK family","Tyrosine protein kinase Ack family","Tyrosine protein kinas
e Tec family","Tyrosine protein kinase Fak family","AGC protein kinase YANK family","Other protein kinase WEE family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Tie family","CMGC pr
otein kinase SRPK family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Fer family","TKL protein kinase IRAK family","Tyrosine protein kinase Syk family","Other protein kinase NEK fami
ly","AGC protein kinase RSK family","TKL protein kinase MLK family","CAMK protein kinase CAMK1 family","TKL protein kinase RIPK family","CAMK protein kinase unique family","CAMK protein kinase DCAMK1 
family","AGC protein kinase GRK family","CMGC protein kinase DYRK family","Tyrosine protein kinase Trk family","Other protein kinase TLK family","CAMK protein kinase RAD53 family","Other protein kinas
e NKF4 family","Other protein kinase PEK family","Other protein kinase PLK family","CMGC protein kinase MAPK family","Tyrosine protein kinase Alk family","AGC protein kinase PKC family","Tyrosine prot
ein kinase Ret family","CAMK protein kinase TSSK family","Other protein kinase IKK family","CAMK protein kinase CAMK2 family","CK1 protein kinase CK1 family","CAMK protein kinase MLCK family","AGC pro
tein kinase PKN family","CAMK protein kinase PKD family","Tyrosine protein kinase Csk family","Other protein kinase CAMKK family","AGC protein kinase MAST family","CAMK protein kinase PHk family","Aty
pical protein kinase BCR family","CMGC protein kinase PFTAIRE","STE protein kinase SLK subfamily","Tyrosine protein kinase SrcA","STE protein kinase PAKA subfamily","TKL protein kinase STKR Type 1 sub
family","STE protein kinase MSN subfamily","AGC protein kinase ROCK subfamily","Atypical protein kinase RIO1 subfamily","STE protein kinase TAO subfamily","STE protein kinase NinaC subfamily","AGC pro
tein kinase CRIK subfamily","STE protein kinase MST subfamily","Atypical protein kinase RIO3 subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase YSK subfamily","STE protein kinase MEKK
2","STE protein kinase KHS subfamily","AGC protein kinase p70 subfamily","TKL protein kinase LZK subfamily","AGC protein kinase GRK subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase
 NIM1 subfamily","CAMK protein kinase QIK subfamily","CAMK protein kinase CHK1 subfamily","Tyrosine protein kinase Srm","Other protein kinase HRI","Other protein kinase Nek11","Other protein kinase WE
E1","TKL protein kinase STKR Type 2 subfamily","TKL protein kinase HH498 subfamily","CMGC protein kinase ERK5","AGC protein kinase GEK subfamily","AGC protein kinase PKC delta subfamily","CAMK protein
 kinase AMPK subfamily","STE protein kinase FRAY subfamily","CAMK protein kinase NuaK subfamily","AGC protein kinase RSK subfamily","TKL protein kinase TAK1 subfamily","AGC protein kinase PKC eta subf
amily","Other protein kinase Meta subfamily","Other protein kinase GCN2 subfamily","CMGC protein kinase nmo subfamily","Other protein kinase PLK2","TKL protein kinase MLK subfamily","CMGC protein kina
se TAIRE subfamily","CK1 protein kinase CK1-a","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",
"AGC: Containing PKA",PKG,"PKC families",Atypical,"CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases","CK1: Casein kinase 1","TK: Tyrosine kinase","TKL: Tyrosine kinase-like
","Cyclin-dependent kinase (CDK) family","STE20 family","CLK family","DMPK family","STE7 family","RIO family","Other protein kinases","YANK family","STE11 family","SRPK family","RSK family","CAMK1 fam
ily","CAMK-unique family","DCAMKL family","G protein-coupled receptor kinases (GRKs)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK-like (CAMKL) family","Type I 
PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Mitogen-activated protein kinases (MAP kinases)","Protein kinase C (PKC) family","CASK family","Vaccina related kinase (VRK) family",
"Testis specific kinase (TSSK) family","CAMK2 family","Casein kinase 1 (CK1) family","Myosin Light Chain Kinase (MLCK) family","Protein kinase N (PKN) family","Protein kinase D (PKD) family","MAST fam
ily","Phosphorylase kinase (PHK) family","BCR family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Mixed Lineage Kinase (MLK) family","TAIRE subfamily","SLK subfamily","
PAKA subfamily","MSN subfamily","Rho kinase","Leucine-rich repeat kinase (LRRK) family","STE20 subfamily","RIO1 subfamily","TAO subfamily","NinaC subfamily","Other DMPK family kinases","Unc-51-like ki
nase (ULK) family","Numb-associated kinase (NAK) family","MST subfamily","RIO3 subfamily","WEE family","CDK7 subfamily","YSK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","KHS su
bfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","p70 subfamily","Receptor interacting protein kinase (RIPK) family","Opsin/rhodopsin kinases","HIPK subfamily","NIM1 subfamily","
QIK subfamily","Tousled-like kinase (TLK) family","CHK1 subfamily","Other-unique family","NKF4 family","PEK family","Polo-like kinase (PLK) family","Receptor serine/threonine kinase (RSTK) family","ER
K subfamily","GEK subfamily","Delta subfamily","IKK family","AMPK subfamily","FRAY subfamily","NuaK subfamily","RSK subfamily","Eta subfamily","CAMKK family","NAK family","nmo subfamily","GRK4 subfami
ly","HUNK subfamily","CDK1 subfamily","Type XIII RTKs: Ephrin receptor family","Janus kinase (JakA) family","LZK subfamily","Src family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor fam
ily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Ack f
amily","Tec family","Fak family","Type XVI RTKs: DDR (collagen receptor) family","Type XII RTKs: TIE family of angiopoietin receptors","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","F
er family","Syk family","Type VII RTKs: Neurotrophin receptor/Trk family","Other PEK family kinases","Type II receptor serine/threonine kinases","HH498 subfamily","Type XIV RTKs: RET","TAK1 subfamily"
,"Csk family","Meta subfamily","GCN2 subfamily","MLK subfamily"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","Signal Transduction",Disease,"Cellular responses to external stimuli","Metabolism of RNA",Metabolism,"Immune System","Neuronal System","Extracellular matrix orga
nization","Programmed Cell Death",Hemostasis,"Circadian Clock","Gene expression (Transcription)","DNA Repair","Muscle contraction",Autophagy,"Vesicle-mediated transport","Nervous system development",M
itotic,"Signaling by Receptor Tyrosine Kinases","Infectious disease","Cellular responses to stress","Signaling by GPCR","Signaling by Non-Receptor Tyrosine Kinases","rRNA processing","Diseases of sign
al transduction by growth factor receptors and second messengers","Signaling by Rho GTPases","Metabolism of lipids","Cytokine Signaling in Immune system","Signaling by Hippo","Transmission across Chem
ical Synapses","Cell Cycle Checkpoints","Non-integrin membrane-ECM interactions","Innate Immune System",Apoptosis,"Cell surface interactions at the vascular wall","Intracellular signaling by second me
ssengers","MTOR signalling","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Signaling by TGFB family members","Cardiac conduction","MAPK family signaling cascades",Macroautophagy,"
Membrane Trafficking","Adaptive Immune System","Signaling by Hedgehog","Signaling by WNT","Metabolism of carbohydrates","Axon guidance","Mitotic G1 phase and G1/S transition","Signaling by NTRKs","HIV
 Infection","Leishmania infection","Signaling by Insulin receptor","Cellular Senescence","GPCR downstream signalling","Signaling by PTK6","rRNA processing in the nucleus and cytosol","Signaling by KIT
 in disease","RHO GTPase Effectors","Phospholipid metabolism","Signaling by Interleukins","Neurotransmitter receptors and postsynaptic signal transmission","G2/M Checkpoints","Toll-like Receptor Casca
des","Signaling by VEGF","Apoptotic execution phase","Regulation of mitotic cell cycle","PIP3 activates AKT signaling","mTORC1-mediated signalling","Mitotic G2-G2/M phases","Signaling by PDGFR in dise
ase","Neutrophil degranulation","Fc epsilon receptor (FCERI) signaling","Generic Transcription Pathway","Homology Directed Repair","Signaling by MST1","Response of EIF2AK1 (HRI) to heme deficiency","S
ignaling by BMP","Ion homeostasis","DAG and IP3 signaling","MAPK1/MAPK3 signaling","M Phase","Signaling by WNT in cancer","Selective autophagy","trans-Golgi Network Vesicle Budding","Sphingolipid meta
bolism","Oncogenic MAPK signaling","Fcgamma receptor (FCGR) dependent phagocytosis","TCR signaling","Response of EIF2AK4 (GCN2) to amino acid deficiency","Hedgehog 'on' state","Signaling by ERBB2","In
terferon Signaling","Signaling by SCF-KIT","Clathrin-mediated endocytosis","Beta-catenin independent WNT signaling","Glycogen metabolism","Signaling by FGFR in disease","EPH-Ephrin signaling","G1 Phas
e","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","Parasite infection","Insulin receptor signalling cascade","Oxidative Stress Induced Senescence","G alpha (q) signalling events","Sema
phorin interactions","PTK6 promotes HIF1A stabilization","Major pathway of rRNA processing in the nucleolus and cytosol","Drug resistance of KIT mutants","RHO GTPases activate CIT","PI Metabolism","Le
ishmania parasite growth and survival","Interleukin-2 family signaling","Activation of NMDA receptors and postsynaptic events","G2/M DNA damage checkpoint","HIV Life Cycle","Toll Like Receptor 5 (TLR5
) Cascade","VEGFA-VEGFR2 Pathway","Toll Like Receptor 2 (TLR2) Cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Apoptotic cleavage of cellular proteins","APC/C-mediated degradation of cell
 cycle proteins","Negative regulation of the PI3K/AKT network","G2/M Transition","Signaling by ROBO receptors","Drug resistance of PDGFR mutants","G alpha (i) signalling events","FCERI mediated Ca+2 m
obilization","Signaling by NTRK3 (TRKC)","Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interleukin-1 family signaling","PTK6 Down-
Regulation","CaM pathway","Toll Like Receptor 4 (TLR4) Cascade","RET signaling","RAF/MAP kinase cascade","Mitotic Metaphase and Anaphase","PTEN Regulation","Transcriptional regulation by RUNX1","Signa
ling by AMER1 mutants",Mitophagy,"RHO GTPases activate PAKs","Golgi Associated Vesicle Biogenesis","RHO GTPases activate PKNs","Sphingolipid de novo biosynthesis","Signaling by RAS mutants","Transcrip
tional Regulation by VENTX","Role of phospholipids in phagocytosis","Generation of second messenger molecules","Downregulation of ERBB2 signaling","Interferon alpha/beta signaling","Cargo recognition 
for clathrin-mediated endocytosis","Ca2+ pathway","Glycogen breakdown (glycogenolysis)","Signaling by FGFR1 in disease","EPHA-mediated growth cone collapse","Cyclin D associated events in G1","Signall
ing to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","Leishmania phagocytosis","EPHB-mediated forward signaling","IRS-mediated signalling","Gastrin-CREB signalling pathway via 
PKC and MAPK","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","Synthesis of PIPs at the plasma membrane","Anti-inflammatory response favouring Leishmania parasite infection","Interl
eukin-2 signaling","Post NMDA receptor activation events","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Late Phase of HIV Life Cycle","Ephrin signaling","MyD88 cascade initiated on
 plasma membrane","CRMPs in Sema3A signaling","Toll Like Receptor TLR6:TLR2 Cascade","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins",PI5P,"PP2A and IER3 Regulate PI3K/AK
T Signaling","Cyclin A/B1/B2 associated events during G2/M transition","Role of ABL in ROBO-SLIT signaling","Imatinib-resistant PDGFR mutants","Visual phototransduction","Activated NTRK3 signals throu
gh PI3K","Regulation of TP53 Activity","Signalling to ERK5","HDR through Homologous Recombination (HRR)","Interleukin-1 signaling","Centrosome maturation","Calmodulin induced events","MyD88-independen
t TLR4 cascade","Assembly and cell surface presentation of NMDA receptors","Mitotic Anaphase","Interleukin-15 signaling","Regulation of PTEN stability and activity","RUNX1 regulates transcription of g
enes involved in BCR signaling","Truncations of AMER1 destabilize the destruction complex","Receptor Mediated Mitophagy","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated ge
nes KLK2 and KLK3","Signaling downstream of RAS mutants","Regulation of IFNA signaling","Activation of TRKA receptors","FGFR1 mutant receptor activation","Signalling to RAS","Nef and signal transducti
on","FCGR3A-mediated phagocytosis","PI3K Cascade","EGFR Transactivation by Gastrin","Sema4D mediated inhibition of cell attachment and migration","Sema4D induced cell migration and growth-cone collaps
e","Prolonged ERK activation events","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated IL10 synthesis","Long-term potentiation","Transcr
iption of the HIV genome","MAP kinase activation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","APC/C:Cdc20 mediated degradation of mitotic proteins","The phototransduction cascade","Regula
tion of TP53 Expression and Degradation","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Activity through Phosphorylation","Loss of proteins required for interphase microtubule organi
zation from the centrosome","TRIF(TICAM1)-mediated TLR4 signaling","Nuclear Envelope (NE) Reassembly","Separation of Sister Chromatids","CREB1 phosphorylation through NMDA receptor-mediated activation
 of RAS signaling","Activation of AMPK downstream of NMDARs","NGF-independant TRKA activation","CD163 mediating an anti-inflammatory response","Regulation of TP53 Activity through Acetylation","Signal
ing by cytosolic FGFR1 fusion mutants","p38MAPK events","Frs2-mediated activation","Nef Mediated CD4 Down-regulation","HIV Transcription Elongation","activated TAK1 mediates p38 MAPK activation","APC:
Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint",Inactivation,"recovery and regulation of the phototransduction cascade","Regulation of TP53 Degrada
tion","Presynaptic phase of homologous DNA pairing and strand exchange","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of IRF3/IRF7 mediated 
by TBK1/IKK epsilon","Initiation of Nuclear Envelope (NE) Reformation","ARMS-mediated activation","Ras activation upon Ca2+ influx through NMDA receptor","TRAF6-mediated induction of TAK1 complex with
in TLR4 complex","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","RSK activation","PI5P Regulates TP53 Acetylation","Tat-mediated elongation of the HIV-1 transcr
ipt","APC-Cdc20 mediated degradation of Nek2A","ERK/MAPK targets","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{ABL1,BCR,CAMK1D,CAMK2G,CDK2,FRK,FYN,HCK,LYN,MAP2K1,MAP2K2,MAP3K2,MAP4K5,SRC,STK10,STK24,STK4,TNK2,TXK}

> <broad_moa>
{"Abl kinase inhibitor","Bcr-Abl kinase inhibitor","SRC inhibitor"}

> <synonyms>
{FT-0656231,FT0656231,S1014,Bosutinib,380843-75-4,380843754,SKI-606,SKI606,"Bosutinib (SKI-606)","Bosutinib (SKI606)","SKI 606",BOSULIF,UNII-5018V4AEZ0,UNII5018V4AEZ0,"BOSUTINIB ISOMER 1",CHEMBL288441
,CHEBI:39112,5018V4AEZ0,SKI-606),SKI606),MFCD07367846,SK-606,SK606,"Bosutinib (USAN)","Bosutinib (USAN:INN)",NCGC002,T0152,B1709,SY-Bosutinib,bosutinib,BOSUTINIB}

> <pdid>
PD004099

> <targets>
{Multi Kinase Inhibitors (Abl,Src),ABL,SRC,Autophagy,Bcr-Abl,Src}

> <classes>
{Bcr-Abl inhibitor,Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{5328940}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 13  0  0  0  0            999 V2000
   11.4987   -0.7504    0.0000 Pt  0  2
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    6.3987    1.1246    0.0000 O   0  5
    6.3987   -0.3754    0.0000 C   0  0
    5.0994   -1.1250    0.0000 O   0  0
    7.6987   -1.1254    0.0000 C   0  0
    7.6987   -2.6254    0.0000 O   0  5
    8.9980   -0.3758    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
M  CHG  3   1   2  10  -1  14  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11174

> <plate>
PLATE 003

> <well>
G4

> <supplier_cmpd_name>
Oxaliplatin

> <ctcr_id>
2136

> <supplier_cmpd_id>
T0164

> <smiles>
[Pt++].NC1CCCCC1N.[O-]C(=O)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{3671-39-4,3671394,61913-68-6,61913686,"S-Ropivacaine Mesilate","SRopivacaine Mesilate","cis-1,2-Diaminocyclohexanemalonatoplatinum(II)","cis1,2Diaminocyclohexanemalonatoplatinum(II)","cyclohexane-1,2
-diamine; oxalate; platinum(2+)","cyclohexane1,2diamine; oxalate; platinum(2+)","Platinum, (cis-cyclohexane-1,2-diammine)malonato-","Platinum, (ciscyclohexane1,2diammine)malonato",SCHEMBL965059,Platin
um,(cis-cyclohexane-1,(ciscyclohexane1,2-diammin,2diammin,T0164,S1224,Oxaliplatin}

> <pdid>
PD039104

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{77994}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  0  0            999 V2000
   11.4904   -6.3788    0.0000 H   0  3
    8.9904   -6.3788    0.0000 Cl  0  5
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 F   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    5.1717  -12.0118    0.0000 C   0  0
    3.8701  -12.7573    0.0000 C   0  0
    3.8649  -14.2573    0.0000 F   0  0
    2.5736  -12.0028    0.0000 C   0  0
    2.5788  -10.5028    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19 13  1  0
 19 20  1  0
 20 10  1  0
  4 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  2  0
 30 24  1  0
 30 31  1  0
 31 21  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11175

> <plate>
PLATE 003

> <well>
G5

> <supplier_cmpd_name>
Nebivolol hydrochloride

> <ctcr_id>
712

> <supplier_cmpd_id>
T0154

> <smiles>
[H+].[Cl-].OC(CNCC(O)C1CCc2cc(F)ccc2O1)C3CCc4cc(F)ccc4O3

> <pd_targets>
{ADRB1,ADRB2,KCNH2,ADRB3,KCNE1,KCNQ1,CACNA1C,SCN5A,KCND3}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Family A G protein-coupled receptor","Voltage-gated ion channel","Small molecule receptor (family A GPCR)","Potassium channels","Voltage-gated calcium channel","Vol
tage-gated sodium channel","Monoamine receptor","Voltage-gated potassium channel","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels",Adrenoceptors,"Potassium channels","Voltage-gated calcium channels","Voltage-gated sodium channels","Voltage-gated 
potassium channels"}

> <pathway_reactome>
{Disease,"Muscle contraction","Developmental Biology","Infectious disease","Cardiac conduction","Nervous system development","Leishmania infection","Phase 3 - rapid repolarisation","Axon guidance","Ph
ase 1 - inactivation of fast Na+ channels","Leishmania parasite growth and survival","NCAM signaling for neurite out-growth","L1CAM interactions","Anti-inflammatory response favouring Leishmania paras
ite infection","NCAM1 interactions","Interaction between L1 and Ankyrins","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{ADRB1}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{"Nebivolol HCl","Nebivolol hydrochloride",169293-50-9,169293509,"2,2'-Azanediylbis(1-(6-fluorochroman-2-yl)ethanol) hydrochloride","2,2'Azanediylbis(1(6fluorochroman2yl)ethanol) hydrochloride",152520
-56-4,152520564,"R 065824 hydrochloride",C22H26ClF2NO4,R067555,"rac-Nebivolol HCl","racNebivolol HCl",PubChem18274,"Nebivolol hydrochloride/",SCHEMBL51,S1549,Nebivolol}

> <pdid>
PD009358

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{9933004,91827721,45371156}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    8.7657    0.7487    0.0000 Br  0  5
   -2.4932   -2.7883    0.0000 C   0  0
   -2.1940   -3.7425    0.0000 C   0  0
   -3.2095   -4.8465    0.0000 O   0  0
   -0.7292   -4.0692    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2212   -2.3711    0.0000 C   0  0
   -2.5988    6.0004    0.0000 N   0  0
   -2.6013    7.5004    0.0000 C   0  0
   -3.9015    8.2483    0.0000 C   0  0
   -5.1993    7.4963    0.0000 O   0  0
   -5.1969    5.9963    0.0000 C   0  0
   -3.8967    5.2483    0.0000 C   0  0
    2.5192   -4.4342    0.0000 N   0  3
    1.0588   -4.5290    0.0000 C   0  0
    0.7400   -5.9948    0.0000 C   0  0
    2.0355   -6.7509    0.0000 C   0  0
    3.1550   -5.7524    0.0000 C   0  0
    4.0201   -4.4415    0.0000 C   0  0
    4.7649   -5.7445    0.0000 C   0  0
    6.2649   -5.7518    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 13  1  0
 19 20  1  0
 19 21  1  0
 21 10  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24  6  1  0
 24  9  1  0
 24 25  1  0
 17 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
  7 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 32  1  0
 32 37  1  0
 37 38  1  0
 38 39  2  0
M  CHG  2   1  -1  32   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11176

> <plate>
PLATE 003

> <well>
G6

> <supplier_cmpd_name>
Rocuronium bromide

> <ctcr_id>
1403

> <supplier_cmpd_id>
T0156

> <smiles>
[Br-].CC(=O)OC1C(CC2C3CCC4CC(O)C(CC4(C)C3CCC12C)N5CCOCC5)[N+]6(CCCC6)CC=C

> <pd_targets>
{CHRNA1,CHRNB1,CHRND,CHRNE,CHRNG,CHRNA2,CHRM2,HTR3A}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor","Ligand-gated ion channel","Family A G protein-coupled receptor","Nicotinic acetylcholine receptor","Small molecule receptor (family A GPCR)","5HT3 receptor","Nicoti
nic acetylcholine receptor alpha subunit","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,"Ligand-gated ion channels","G protein-coupled receptors","Nicotinic acetylcholine receptors","Acetylcholine receptors (muscarinic)","5-HT<sub>3</sub> receptors"}

> <pathway_reactome>
{"Neuronal System","Signal Transduction","Transmission across Chemical Synapses","Signaling by GPCR","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","Acetylchol
ine binding and downstream events","Class A/1 (Rhodopsin-like receptors)","Postsynaptic nicotinic acetylcholine receptors","Amine ligand-binding receptors","Highly calcium permeable postsynaptic nicot
inic acetylcholine receptors","Muscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM2,CHRNA2,HTR3A}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"119302-91-9 (bromide)","119302919 (bromide)",AKOS015895262,FT-0631094,FT0631094,A804251,T0156,S1397,"Rocuronium bromide","Rocuronium Bromide"}

> <pdid>
PD010055

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{22058233}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 26  0  0  0  0            999 V2000
   14.0825   -5.2598    0.0000 H   0  3
   11.5825   -5.2598    0.0000 Cl  0  5
    9.0819   -9.7710    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    7.7794  -12.0187    0.0000 O   0  0
    6.4833   -9.7656    0.0000 O   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 19 27  2  0
 27 15  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11177

> <plate>
PLATE 003

> <well>
G7

> <supplier_cmpd_name>
Roxatidine Acetate hydrochloride

> <ctcr_id>
5802

> <supplier_cmpd_id>
T0157

> <smiles>
[H+].[Cl-].CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1

> <pd_targets>
{HRH2}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Histamine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Histamine receptors"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{HRH2}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{AKOS026749808,AKOS005067597,"roxatidine acetate hydrochloride",93793-83-0,93793830,"ROXATIDINE ACETATE HCl",Roxit,Gastralgin,Altat,"HOE 760",TZU-0460,TZU0460,"Roxatidine (Acetate Hydrochloride)",Hoe-
760,Hoe760,UNII-60426GOR1E,UNII60426GOR1E,2-Acetoxy-N-(3-(3-(1-piperi,2AcetoxyN(3(3(1piperi,T0157,S1880,SAM001246547,Prestw-428,"Roxatidine Acetate hydrochloride","Roxatidine Acetate HCl",CPD000469144
}

> <pdid>
PD009203

> <targets>
{"Histamine Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{67108342,16640927,10949026,56704}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 34  0  0  0  0            999 V2000
   15.4003    1.1322    0.0000 Cl  0  0
   12.9003    1.1322    0.0000 Cl  0  0
   10.3996   -1.4837    0.0000 O   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 N   0  0
   -5.1894    6.0109    0.0000 C   0  0
   -5.1873    7.5117    0.0000 C   0  0
   -6.4848    8.2644    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 13 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31 24  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 10  1  0
 34 21  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11178

> <plate>
PLATE 003

> <well>
G8

> <supplier_cmpd_name>
Mitoxantrone hydrochloride

> <ctcr_id>
1609

> <supplier_cmpd_id>
T0158

> <smiles>
Cl.Cl.OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12

> <pd_targets>
{NFKB1,STK33,ALOX15,UBA3,USP2,CSNK2A1,CSNK2A2,CSNK2A3,CSNK2B,MAPT,ROS1,MAPK1,BLM,NPSR1,MPG,KMT2A,MEN1,KDM4E,L3MBTL1,ALD,TP53,LMNA,RECQL,FTL,POLB,DYRK1A,PIM1,APEX1,RORC,PMP22,NFO,ALDH1A1,TOP2A,CHRM1,SL
CO1B3,BTK,CYP2D6,HIF1A,PKM,CYP1A2,POL,LANA1,THPO,IMPA1,BLA(TEM-2),NSD2,HTT,CYP3A4,PYK,SLC22A1,ABCB1,PAX8,ERBB2,HTR2C,CHRM2,ABCC1,MTOR,KCNH2,CHRM4,SLC22A2,NAE1,FYN,SLC47A2,SLC6A2,SLC47A1,CACNA1C,CACNA1
D,CACNA1F,CACNA1S,ABCG2,EGFR,SLC22A3}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Membrane receptor","Epigenetic regulator","Transcription factor","Other nuclear protein","Unclassified protein",Transporter,"Ion channel",Kinase,Oxidoreductase,Ligas
e,Protease,"Family A G protein-coupled receptor",Reader,Eraser,"Nuclear receptor",Hydrolase,Isomerase,"Electrochemical transporter","Cytochrome P450",Writer,Transferase,"Primary active transporter","V
oltage-gated ion channel","Protein Kinase","Cysteine protease","Peptide receptor (family A GPCR)",Bromodomain,"Lysine demethylase","Methyl-lysine/arginine binding protein","Nuclear hormone receptor su
bfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 2","Cytochrome P450 family 1","Protein methyltransferase","Cytochrome P450 family 3","
ATP-binding cassette","Potassium channels","Voltage-gated calcium channel","CAMK protein kinase group","Cysteine protease CA clan","Other protein kinase group","TK protein kinase group","CMGC protein 
kinase group","Short peptide receptor (family A GPCR)","Jumonji domain-containing","MBT domain","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","SLC21/SLCO family of organic anion 
transporting polypeptides","Cytochrome P450 family 2D","Cytochrome P450 family 1A","SET domain","Cytochrome P450 family 3A","SLC22 family of organic cation and anion transporters","ABCB subfamily","AB
CC subfamily","Atypical protein kinase group","Voltage-gated potassium channel","SLC47 family of multidrug and toxin extrusion transporters","SLC06 neurotransmitter transporter family","ABCG subfamily
","CAMK protein kinase unique family","Cysteine protease C19 family","Other protein kinase CK2 family","Tyrosine protein kinase Sev family","CMGC protein kinase MAPK family","Neuropeptide receptor","C
MGC protein kinase DYRK family","CAMK protein kinase PIM family","Nuclear hormone receptor subfamily 1 group F member 3","Acetylcholine receptor","Tyrosine protein kinase Tec family","Cytochrome P450 
2D6","Cytochrome P450 1A1","Cytochrome P450 3A4","Tyrosine protein kinase EGFR family","Serotonin receptor","Atypical protein kinase PIKK family","Tyrosine protein kinase Src family","CMGC protein kin
ase ERK1","CMGC protein kinase Dyrk1 subfamily","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Peptidases and proteinases","Catalytic receptors","G protein-coupled receptors","Chromatin modifying enzyme
s","Nuclear hormone receptors","DNA topoisomerases","SLC superfamily of solute carriers","Cytochrome P450","2.7.1.40 Pyruvate kinases","Inositol phosphate turnover","ATP-binding cassette transporter f
amily","Voltage-gated ion channels","CAMK: Calcium/calmodulin-dependent protein kinases",Lipoxygenases,"CA: Cysteine (C) Peptidases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",
"Neuropeptide S receptor","1.14.11.- Histone demethylases","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans","Acetylcholine receptors (muscarinic)","SLCO family of organ
ic anion transporting polypeptides","CYP2 family: drug metabolising subset","CYP1 family","Inositol monophosphatase","CYP3 family","SLC22 family of organic cation and anion transporters","ABCB subfami
ly","5-Hydroxytryptamine receptors","ABCC subfamily",Atypical,"Potassium channels","SLC47 family of multidrug and toxin extrusion transporters","SLC6 neurotransmitter transporter family","ABCG subfami
ly","CAMK-unique family","C19: Ubiquitin-specific protease","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYR
K) family","PIM family","Organic cation transporters (OCT)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium channels","Monoamine transporter subfamily","Recept
or tyrosine kinases (RTKs)","ERK subfamily","Dyrk1 subfamily","Non-receptor tyrosine kinases (nRTKs)","FRAP subfamily","Type XVII RTKs: ROS receptors","Tec family","Type I RTKs: ErbB (epidermal growth
 factor) receptor family","Src family"}

> <pathway_reactome>
{"Immune System",Metabolism,"Gene expression (Transcription)","Neuronal System","DNA Repair",Disease,"Cell Cycle","Vesicle-mediated transport","Developmental Biology","Signal Transduction","Cellular r
esponses to external stimuli",Hemostasis,"Transport of small molecules","Muscle contraction","Cytokine Signaling in Immune system","Metabolism of lipids","Innate Immune System","RNA Polymerase II Tran
scription","Transmission across Chemical Synapses","DNA Double-Strand Break Repair","Infectious disease","Base Excision Repair","Cell Cycle Checkpoints",Mitotic,"Membrane Trafficking","Diseases of sig
nal transduction by growth factor receptors and second messengers","Nervous system development","Biological oxidations","Signaling by GPCR","Cellular responses to stress","Metabolism of carbohydrates"
,"Platelet activation","signaling and aggregation","Inositol phosphate metabolism","SLC-mediated transmembrane transport","Abacavir transport and metabolism","Cardiac conduction","Disorders of transme
mbrane transporters","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","C-type lectin receptors (CLRs)","Generic Transcription Pathway","Neurotransmitter receptor
s and postsynaptic signal transmission","Toll-like Receptor Cascades","Homology Directed Repair","Leishmania infection","Base-Excision Repair","AP Site Formation","G1/S DNA Damage Checkpoints","M Phas
e","trans-Golgi Network Vesicle Budding","Resolution of Abasic Sites (AP sites)","Mitotic G1 phase and G1/S transition","FLT3 signaling in disease","EGR2 and SOX10-mediated initiation of Schwann cell 
myelination","Phase I - Functionalization of compounds","GPCR ligand binding","Metabolism of steroids","Cellular response to hypoxia","Glucose metabolism","Platelet Aggregation (Plug Formation)","Synt
hesis of IP2",IP,"and Ins in the cytosol","Transport of bile salts and organic acids","metal ions and amine compounds","Abacavir transmembrane transport","Axon guidance","Fatty acid metabolism","Phase
 3 - rapid repolarisation","HIV Infection","SLC transporter disorders","GPCR downstream signalling","Interleukin-1 family signaling","Biosynthesis of DPA-derived SPMs","CLEC7A (Dectin-1) signaling","T
ranscriptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","HDR through Homologous Recombination (HRR) or Single Strand Annealing (
SSA)","Leishmania parasite growth and survival",Depurination,"p53-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","Golgi Associated Vesicle Biogenesis","Resolution of AP sites v
ia the multiple-nucleotide patch replacement pathway","G0 and Early G1","Signaling by FLT3 ITD and TKD mutants","Transcriptional regulation by RUNX1","Transcriptional regulation by RUNX3","Ethanol oxi
dation","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Parasite infection","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypox
ia-inducible Factor Alpha",Glycolysis,"Transcriptional Regulation by MECP2","Biosynthesis of DHA-derived SPMs","Organic cation/anion/zwitterion transport","Semaphorin interactions","Arachidonic acid m
etabolism","Host Interactions of HIV factors","Defective SLC6A2 causes orthostatic intolerance (OI)","G alpha (q) signalling events","Interleukin-1 signaling","Biosynthesis of DPAn-3 SPMs","Dectin-1 m
ediated noncanonical NF-kB signaling","Regulation of TP53 Activity","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","HDR through Homologous Recombination (HRR)","An
ti-inflammatory response favouring Leishmania parasite infection","Cleavage of the damaged purine","p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Re
pair","STAT5 activation downstream of FLT3 ITD mutants","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","RUNX3 Regulates Immune Response and Cell Migration","Tr
anscription of E2F targets under negative control by DREAM complex","Amine ligand-binding receptors","Recycling of bile acids and salts","Leishmania phagocytosis",Xenobiotics,"Processing of DNA double
-strand break ends","Regulation of MECP2 expression and activity","Biosynthesis of maresins","Organic cation transport","Sema4D in semaphorin signaling","Synthesis of Leukotrienes (LT) and Eoxins (EX)
","The role of Nef in HIV-1 replication and disease pathogenesis","Gastrin-CREB signalling pathway via PKC and MAPK","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protec
tins and resolvins","Regulation of TP53 Expression and Degradation","Activation of AMPK downstream of NMDARs","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated ant
i-inflammatory cytokines production","Regulation of TP53 Activity through Methylation","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","FCGR3A-mediated p
hagocytosis","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Sema4D induced cell migration and growth-cone collapse","Seroton
in receptors","Nef and signal transduction","EGFR Transactivation by Gastrin","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous D
NA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{RESTW38,"RESTW 38",AKOS015896216,AKOS015896367,FT-0628954,FT0628954,"FT 0628954",A835043,"Mitoxantrone hydrochloride",70476-82-3,70476823,"70476 82 3","Mitoxantrone dihydrochloride","Mitoxantrone HCl
",Novantrone,Novantron,"Mitoxantrone (dihydrochloride)","Mitoxantrone 2HCl",Mitozantrone,"MITOXANTHRONE HYDRO",T0158,1503278,Prestw-385,"MITOXANTHRONE HYDROCHLORIDE"}

> <pdid>
PD004112

> <targets>
{PKC,Topoisomerase}

> <classes>
{antineoplastic,Cell Cycle/DNA Damage,Epigenetics,TGF-beta/Smad}

> <pubchem_cids>
{45108240,51082}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    3.8926   -3.7566    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 N   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  1  0
 18  9  1  0
 18 19  2  0
 19  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11179

> <plate>
PLATE 003

> <well>
G9

> <supplier_cmpd_name>
Pranoprofen

> <ctcr_id>
4475

> <supplier_cmpd_id>
T0159

> <smiles>
CC(C(O)=O)c1ccc2Oc3ncccc3Cc2c1

> <pd_targets>
{PTGS1,ABCC4}

> <pathway_gtopdb>
{Enzyme,Transporter,Oxidoreductase,"Primary active transporter","ATP-binding cassette","ABCC subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Eicosanoid turnover","ATP-binding cassette transporter family",Cyclooxygenase,"ABCC subfamily"}

> <pathway_reactome>
{Metabolism,Hemostasis,"Metabolism of lipids","Platelet activation","signaling and aggregation","Fatty acid metabolism","Response to elevated platelet cytosolic Ca2+","Arachidonic acid metabolism","Pl
atelet degranulation","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)"}

> <broad_targets>
{}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{pranoprofen,52549-17-4,52549174,Niflan,"2-(5H-chromeno(2,3-b)pyridin-7-yl)propanoic acid","2(5Hchromeno(2,3b)pyridin7yl)propanoic acid",Y-8004,Y8004,"2-(5H-(1)Benzopyrano(2,3-b)pyridin-7-yl)propionic
 acid","2(5H(1)Benzopyrano(2,3b)pyridin7yl)propionic acid",CHEMBL367463,pyranoprofen,"(2S)-2-(5H-chromeno(2,3-b)pyridin-7-yl)propanoic acid","(2S)2(5Hchromeno(2,3b)pyridin7yl)propanoic acid",NCGC00167
980-01,NCGC0016798001,T0159,Prestw-1318,Pranoprofen}

> <pdid>
PD001687

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4888}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    5.0987   -0.7504    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.3229    1.2135    0.0000 N   0  0
   -6.2045    0.0000    0.0000 C   0  0
   -7.7045   -0.0001    0.0000 O   0  0
   -5.3228   -1.2136    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15  6  1  0
 15 16  2  0
 16  3  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11180

> <plate>
PLATE 003

> <well>
G10

> <supplier_cmpd_name>
Anagrelide

> <ctcr_id>
2001

> <supplier_cmpd_id>
T0160

> <smiles>
Cl.Clc1ccc2NC3=NC(=O)CN3Cc2c1Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ANAGRELIDE HYDROCHLORIDE",SAM001246604,"Anagrelide HCl","anagrelide hydrochloride",S3172,Anagrelide,T0160,1505590,CPD000469168}

> <pdid>

> <targets>
{PDE}

> <classes>
{antithrombotic,Metabolism}

> <pubchem_cids>
{57515909,42786}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5490  -12.2198    0.0000 C   0  0
    1.7972  -10.9218    0.0000 O   0  0
    2.5450   -9.6205    0.0000 C   0  0
    4.0450   -9.6205    0.0000 C   0  0
    4.7951   -8.3215    0.0000 C   0  0
    4.0452   -7.0225    0.0000 N   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5497   -4.4224    0.0000 S   0  0
    4.0497   -4.4250    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 F   0  0
   -3.8964   -0.7545    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.7951   -8.3214    0.0000 C   0  0
    0.2943   -8.3245    0.0000 O   0  0
   -0.4539   -9.6246    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 16 21  1  0
 21 22  2  0
 22 13  1  0
 22 23  1  0
 23 11  2  0
  7 24  2  0
 24  3  1  0
 24 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11181

> <plate>
PLATE 003

> <well>
G11

> <supplier_cmpd_name>
Pantoprazole Sodium Hydrate

> <ctcr_id>
6491

> <supplier_cmpd_id>
T0161

> <smiles>
COc1ccnc(C[S](=O)c2[nH]c3ccc(OC(F)F)cc3n2)c1OC

> <pd_targets>
{ATP4A,ATP4B,KDM4E,ALDH1A1,ALOX15,LMNA,FASN,HPGD,CYP3A4,MAPT,DDAH1,ABCB1,ABCG2,SLC47A1,IDO2,SLC22A2,SLC47A2}

> <pathway_gtopdb>
{Transporter,"Epigenetic regulator",Enzyme,"Other nuclear protein","Other cytosolic protein","Primary active transporter",Eraser,Oxidoreductase,Transferase,Protease,"Cytochrome P450",Hydrolase,"Electr
ochemical transporter","P-type ATPase","Lysine demethylase","Cysteine protease","Cytochrome P450 family 3","ATP-binding cassette","SLC superfamily of solute carriers","Hydrogen potassium ATPase","Jumo
nji domain-containing","Cysteine protease CA clan","Cytochrome P450 family 3A","ABCB subfamily","ABCG subfamily","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic c
ation and anion transporters","Cysteine protease C1A family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,"Chromatin modifying enzymes","Eicosanoid turnover","2.3.1.-  Acyltransferases","Cytochrome P450","L-Arginine turnover","ATP-binding cassette transporter family","SLC superfamily
 of solute carriers","1.13.11.- Dioxygenases","P-type ATPases","1.14.11.- Histone demethylases",Lipoxygenases,"Prostaglandin synthases","CYP3 family","Dimethylarginine dimethylaminohydrolases","ABCB s
ubfamily","ABCG subfamily","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","P2C P-type ATPases","Organic cation transporters (OCT)"
,H<sup>+</sup>/K<sup>+</sup>-ATPases}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Neuronal System","Transport of small molecules","Biological oxidations","Metabolism of lipids",Mitotic,"Transmission across Chemical Synapses","Metabolism of nitric oxide: NO
S3 activation and regulation","Abacavir transport and metabolism","SLC-mediated transmembrane transport","Metabolism of amino acids and derivatives","Ion channel transport","Phase I - Functionalizatio
n of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Metabolism of steroids","Neurotransmitter receptors and postsynaptic signal transmission","eNOS activation","Abac
avir transmembrane transport","Transport of bile salts and organic acids","metal ions and amine compounds","Tryptophan catabolism","Ion transport by P-type ATPases","Ethanol oxidation","Biosynthesis o
f DPA-derived SPMs","Mitotic Metaphase and Anaphase","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events"
,"Organic cation/anion/zwitterion transport","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","Activation of gene expression by SREBF (SREBP)","Biosynthesis of D-series resolvins","Biosynthesis of mar
esins","Post NMDA receptor activation events","Organic cation transport","Biosynthesis of DPAn-3-derived protectins and resolvins","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs
","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{pantoprazole,102625-70-7,102625707,Protonix,Pantozol,Pantoprazol,Pantoprazolum,BY-1023,BY1023,Pantoloc,SK&F-96022,SK&F96022,"BY 1023","SK&F 96022","Protonix I.V.",(R)-Pantoprazole,(R)Pantoprazole,"Pa
ntozol Control",SK-96022,SK96022,CHEMBL1502,CHEBI:7915,"Pantoprazole sodium hydrate",NCGC00095,1505818,PANTOPRAZOLE}

> <pdid>
PD000711

> <targets>
{}

> <classes>
{"proton pump inhibitor","gastric acid release inhibitor",antiulcer}

> <pubchem_cids>
{4679}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.5133   -2.9102    0.0000 C   0  0
    1.9910   -3.1685    0.0000 C   0  0
    2.5062   -4.5772    0.0000 C   0  0
    1.5439   -5.7278    0.0000 C   0  0
    0.0662   -5.4697    0.0000 C   0  0
   -0.4490   -4.0609    0.0000 C   0  0
   -1.7515   -3.3153    0.0000 N   0  3
   -1.7566   -1.8153    0.0000 O   0  5
   -3.0483   -4.0693    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5937   -3.0031    0.0000 O   0  0
   -3.8990   -0.7562    0.0000 O   0  0
   -5.1972   -1.5093    0.0000 C   0  0
   -6.4990   -0.7624    0.0000 C   0  0
   -7.7965   -1.5150    0.0000 C   0  0
   -6.5026    0.7376    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11  5  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
  9 28  1  0
M  CHG  2  18   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11182

> <plate>
PLATE 003

> <well>
H2

> <supplier_cmpd_name>
Nisoldipine

> <ctcr_id>
4622

> <supplier_cmpd_id>
T0163

> <smiles>
COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+]([O-])=O)C(=O)OCC(C)C)C

> <pd_targets>
{CACNA1D,ABCB11,RORC,FFP,KCNH2,NR1I2,LMNA,CACNA1C,SCN1A,SCN2A,SCN3A,ADORA3,ADORA2A,ABCB1,CYP1A2,ABCC4,CACNA1F,CACNA1S,CACNA2D1,CACNB2}

> <pathway_gtopdb>
{"Ion channel",Transporter,"Transcription factor",Enzyme,"Other nuclear protein","Membrane receptor","Auxiliary transport protein","Voltage-gated ion channel","Primary active transporter","Nuclear rec
eptor",Transferase,"Family A G protein-coupled receptor","Cytochrome P450","Calcium channel auxiliary subunit alpha2delta family","Calcium channel auxiliary subunit beta family","Voltage-gated calcium
 channel","ATP-binding cassette","Nuclear hormone receptor subfamily 1","Potassium channels","Voltage-gated sodium channel","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","ABCB s
ubfamily","Nuclear hormone receptor subfamily 1 group F","Voltage-gated potassium channel","Nuclear hormone receptor subfamily 1 group I","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 fa
mily 1A","ABCC subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group I member 2","Adenosine receptor","Cytochrome P450 1A1"}

> <pathway_chembl>
{"Ion channels",Transporters,Receptors,Enzymes,"Voltage-gated ion channels","ATP-binding cassette transporter family","Nuclear hormone receptors","G protein-coupled receptors","Cytochrome P450","Volta
ge-gated calcium channels","ABCB subfamily","1F. Retinoic acid-related orphans","Potassium channels","1I. Vitamin D receptor-like receptors","Adenosine receptors","CYP1 family","ABCC subfamily","Volta
ge-gated potassium channels"}

> <pathway_reactome>
{"Developmental Biology",Metabolism,"Gene expression (Transcription)","Muscle contraction","Metabolism of proteins","Cell Cycle","Signal Transduction",Disease,Hemostasis,"Nervous system development","
Metabolism of lipids","RNA Polymerase II Transcription","Cardiac conduction","Post-translational protein modification",Mitotic,"Signaling by GPCR","Infectious disease","Abacavir transport and metaboli
sm","Biological oxidations","Platelet activation","signaling and aggregation","Axon guidance","Metabolism of steroids","Generic Transcription Pathway","Phase 3 - rapid repolarisation",SUMOylation,"M P
hase","GPCR ligand binding","Leishmania infection","Abacavir transmembrane transport","Phase I - Functionalization of compounds","Response to elevated platelet cytosolic Ca2+","NCAM signaling for neur
ite out-growth","Bile acid and bile salt metabolism","Transcriptional regulation by RUNX3","SUMO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like recep
tors)","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Platelet degranulation","NCAM1 interactions","Synthesis of bile acids and bile salts","RUNX3 Regulates 
Immune Response and Cell Migration","SUMOylation of intracellular receptors","Mitotic Anaphase","Nucleotide-like (purinergic) receptors","Anti-inflammatory response favouring Leishmania parasite infec
tion",Xenobiotics,"Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Adenosine P1 receptors","ADORA2B mediated anti-inflammatory cytokines produ
ction","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CACNA1C,CACNA1D,CACNA1F,CACNA1S}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{nisoldipine,63675-72-9,63675729,Sular,Nisocor,Zadipina,"Bay k 5552",Nisoldipinum,Baymycard,Syscor,"Nisoldipinum (INN-Latin)","Nisoldipinum (INNLatin)","Nisoldipino (INN-Spanish)","Nisoldipino (INNSpa
nish)",Bay-k-5552,Bayk5552,"BAY-k 5552","BAYk 5552",CHEBI:76917,MFCD00478055,CHEMBL441428,Nisoldipin,Nisoldipino,NCGC00164633-0,NCGC001646330,T0163,1505390,Prestw-666,Nisoldipine,NISOLDIPINE}

> <pdid>
PD000517

> <targets>
{}

> <classes>
{"vasodilator (coronary)"}

> <pubchem_cids>
{4499}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 N   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 N   0  0
    0.0102   -7.5017    0.0000 C   0  0
    1.3123   -8.2482    0.0000 C   0  0
    1.3177   -9.7490    0.0000 C   0  0
    2.6197  -10.4955    0.0000 N   0  0
    2.6252  -11.9963    0.0000 C   0  0
    1.3274  -12.7485    0.0000 C   0  0
    1.3298  -14.2485    0.0000 C   0  0
    0.0320  -15.0006    0.0000 O   0  0
    2.6300  -14.9964    0.0000 N   0  0
    2.6325  -16.4964    0.0000 C   0  0
    3.9279  -14.2443    0.0000 C   0  0
    5.2281  -14.9922    0.0000 O   0  0
    3.9254  -12.7443    0.0000 N   0  0
    5.2233  -11.9922    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 17  1  0
 25 26  1  0
 12 27  1  0
 27 28  1  0
 28  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11183

> <plate>
PLATE 003

> <well>
H3

> <supplier_cmpd_name>
Urapidil

> <ctcr_id>
691

> <supplier_cmpd_id>
T0165

> <smiles>
COc1ccccc1N2CCN(CCCNC3=CC(=O)N(C)C(=O)N3C)CC2

> <pd_targets>
{MAPT,HTR1A,CYP2C9,ADRA1A,ADRA1B,ADRA1D,CHRM1,TSHR,LMNA,CYP2C19,CYP3A4,BLM,PMP22}

> <pathway_gtopdb>
{"Other cytosolic protein","Membrane receptor",Enzyme,"Other nuclear protein","Unclassified protein","Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","
Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Monoamine receptor","Cytochrome P450 family 2C","Glycohormone receptor","Cytochrome P450 family 3A","Serotonin 
receptor","Cytochrome P450 2C9","Adrenergic receptor","Acetylcholine receptor","Cytochrome P450 2C19","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","5-Hydroxytryptamine receptors","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","Glycoprotein hormone 
receptors","CYP3 family"}

> <pathway_reactome>
{"Neuronal System","Signal Transduction",Metabolism,Disease,"Cell Cycle","DNA Repair","Developmental Biology","Transmission across Chemical Synapses","Signaling by GPCR","Biological oxidations","Infec
tious disease",Mitotic,"Metabolism of lipids","DNA Double-Strand Break Repair","Nervous system development","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","Pha
se I - Functionalization of compounds","Leishmania infection","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","EGR2 and SOX10-mediated initiation of Sc
hwann cell myelination","Activation of NMDA receptors and postsynaptic events","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and sur
vival","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Post NMDA receptor activation events","Amine l
igand-binding receptors",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Biosynthesis of maresins","HDR through Homologous Recombination (HRR)","Ac
tivation of AMPK downstream of NMDARs","Serotonin receptors","CYP2E1 reactions","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Re
assembly","Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exc
hange"}

> <broad_targets>
{HTR1A}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{urapidil,34661-75-1,34661751,Ebrantil,Eupressyl,Mediatensyl,Uraprene,UNII-A78GF17HJS,UNIIA78GF17HJS,"NSC 310405",B-66256,B66256,C20H29N5O3,A78GF17HJS,"6-((3-(4-(2-Methoxyphenyl)-1-piperazinyl)propyl)
amino)-1,3-dimethyluracil","6((3(4(2Methoxyphenyl)1piperazinyl)propyl)amino)1,3dimethyluracil",MLS003115907,6-(3-(4-(o-Methoxyphenyl)-1-piperazin,6(3(4(oMethoxyphenyl)1piperazin,T0165,T0088,1503100,Ur
apidil,"Urapidil hydrochloride",URAPIDIL}

> <pdid>
PD013272

> <targets>
{}

> <classes>
{antihypertensive}

> <pubchem_cids>
{5639}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 43 46  0  0  1  0            999 V2000
   10.2003    1.9943    0.0000 Br  0  5
    7.7003    1.9943    0.0000 Br  0  5
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.1996   -1.4928    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0  1  0  0  0
   -6.5611    2.3779    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0  1  0  0  0
   -4.2297    5.2071    0.0000 C   0  0
   -5.7225    5.3543    0.0000 C   0  0  1  0  0  0
   -6.3238    3.9802    0.0000 C   0  0  2  0  0  0
   -7.7858    3.6531    0.0000 O   0  0
   -8.8026    4.7570    0.0000 C   0  0
   -8.3548    6.1886    0.0000 C   0  0
  -10.2664    4.4294    0.0000 O   0  0
   -6.4799    6.6470    0.0000 N   0  3
   -7.9799    6.6344    0.0000 C   0  0
   -5.0005    6.6221    0.0000 C   0  0
   -4.2602    7.9267    0.0000 C   0  0
   -5.0198    9.2201    0.0000 C   0  0
   -6.5198    9.2089    0.0000 C   0  0
   -7.2601    7.9043    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0002   -3.0008    0.0000 N   0  3
    1.3008   -3.7481    0.0000 C   0  0
   -1.2638   -2.2315    0.0000 C   0  0
   -2.5620   -2.9829    0.0000 C   0  0
   -2.5603   -4.4829    0.0000 C   0  0
   -1.2604   -5.2315    0.0000 C   0  0
    0.0378   -4.4800    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  7  6  1  6
  7  8  1  0
  9  8  1  1
  9 10  1  0
 10 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 12  1  0
 18 19  1  1
 19 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  1  1
 22 23  1  0
 23 24  1  0
 23 25  2  0
 20 26  1  1
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 26  1  0
 13 33  1  0
 33  9  1  0
 33 34  1  1
 33 35  1  0
 35 36  1  0
 36  7  1  0
 36 37  1  1
 37 38  1  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 37  1  0
M  CHG  4   1  -1   2  -1  26   1  37   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11184

> <plate>
PLATE 003

> <well>
H4

> <supplier_cmpd_name>
Pancuronium bromide

> <ctcr_id>
4818

> <supplier_cmpd_id>
T0166

> <smiles>
[Br-].[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([C@@H]4OC(C)=O)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1[N+]6(C)CCCCC6

> <pd_targets>
{RAD52,LMNA,KCNN1,KCNN2,KCNN3,MTOR,CHRNA1,CHRNB1,CHRND,CHRNE,CHRNG,CHRNA2,CHRM2,CHRM3}

> <pathway_gtopdb>
{"Other nuclear protein","Ion channel",Enzyme,"Membrane receptor","Voltage-gated ion channel",Kinase,"Ligand-gated ion channel","Family A G protein-coupled receptor","Potassium channels","Protein Kina
se","Nicotinic acetylcholine receptor","Small molecule receptor (family A GPCR)","Calcium-activated potassium channel","Atypical protein kinase group","Nicotinic acetylcholine receptor alpha subunit",
"Monoamine receptor","Atypical protein kinase PIKK family","Acetylcholine receptor","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Kinases (EC 2.7.x.x)","Ligand-gated ion channels","G protein-coupled receptors",Atypical,"Nicotinic acetylcholine receptors","Acetylcholine receptors (muscarinic)","
Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"DNA Repair","Cell Cycle","Gene expression (Transcription)","Neuronal System","Signal Transduction","DNA Double-Strand Break Repair",Mitotic,"RNA Polymerase II Transcription","Transmission across Che
mical Synapses","Signaling by GPCR","Homology Directed Repair","M Phase","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","HDR th
rough Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","Acetylcholine binding and downstream events","Class A/1 (R
hodopsin-like receptors)","HDR through Single Strand Annealing (SSA)","Mitotic Anaphase","Regulation of TP53 Activity","Postsynaptic nicotinic acetylcholine receptors","Amine ligand-binding receptors"
,"Nuclear Envelope (NE) Reassembly","Regulation of TP53 Expression and Degradation","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Muscarinic acetylcholine receptors","Init
iation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{CHRM2,CHRM3,CHRNA1,CHRNA2}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"PANCURONIUM BROMIDE",Pavulon,15500-66-0,15500660,"Pancuronium dibromide",Mioblock,"ORG NA 97","Pancuronium (dibromide)","Pancuronii bromidum","Bromuro de pancuronio","Bromure de pancuronium",UNII-U9
LY9Y75X2,UNIIU9LY9Y75X2,CHEBI:7908,"ORG-NA 97","ORGNA 97","NA 97",U9LY9Y75X2,Bromure,S2497,Prestw-1034,"Pancuronium bromide"}

> <pdid>
PD009549

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{27350}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    3.8887   -1.4031    0.0000 O   0  0
    4.9055   -2.5070    0.0000 C   0  0
    4.4576   -3.9386    0.0000 O   0  0
    6.3701   -2.1793    0.0000 C   0  0
    7.3869   -3.2832    0.0000 C   0  0
    8.8515   -2.9555    0.0000 C   0  0
    9.9576   -3.9498    0.0000 C   0  0
   11.2469   -3.1833    0.0000 C   0  0
   10.9164   -1.7201    0.0000 C   0  0
    9.4228   -1.5824    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15  9  1  0
  6 16  1  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19  2  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11185

> <plate>
PLATE 003

> <well>
H5

> <supplier_cmpd_name>
Depofemin

> <ctcr_id>
2717

> <supplier_cmpd_id>
T0168

> <smiles>
CC12CCC3C(CCc4cc(O)ccc34)C1CCC2OC(=O)CCC5CCCC5

> <pd_targets>
{RORC,POLB,SKA,MAPT,LMNA,KMT2A,ATM,ESR1,ESR2}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other cytosolic protein","Other nuclear protein","Epigenetic regulator","Nuclear receptor",Kinase,Reader,"Nuclear hormone receptor subfamily 1",Bromodomain,"Protein Kin
ase","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subf
amily 1 group F member 3","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group A member 2"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","1F. Retinoic acid-related orphans","2.1.1.43 Histone methyltransferases (HMTs)",Atypical,"Steroid h
ormone receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","3A. Estrogen receptors","Other PIKK family kinases"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair","Neuronal System","Cell Cycle","Signal Transduction","RNA Polymerase II Transcription","Base Excision Repair","Transmission across Chemical Synapses",Mi
totic,"Cell Cycle Checkpoints","Intracellular signaling by second messengers","Generic Transcription Pathway","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and postsynaptic signa
l transmission","M Phase","G1/S DNA Damage Checkpoints","PIP3 activates AKT signaling","Transcriptional regulation by RUNX3","Resolution of AP sites via the multiple-nucleotide patch replacement pathw
ay","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX1","p53-Dependent G1/S DNA damage checkpoint","Negative regulation of the
 PI3K/AKT network","RUNX3 Regulates Immune Response and Cell Migration","PCNA-Dependent Long Patch Base Excision Repair","Post NMDA receptor activation events","Mitotic Anaphase","RUNX1 regulates gene
s involved in megakaryocyte differentiation and platelet function","p53-Dependent G1 DNA Damage Response","RUNX1 regulates estrogen receptor mediated transcription",PI5P,"PP2A and IER3 Regulate PI3K/A
KT Signaling","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin
 ligase COP1"}

> <broad_targets>
{ESR1}

> <broad_moa>
{"estrogen receptor agonist"}

> <synonyms>
{"Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 17-cyclopentanepropanoate","Estra1,3,5(10)triene3,17diol (17.beta.), 17cyclopentanepropanoate","B-estradiol 17-cypionate","Bestradiol 17cypionate",SCHEM
BL20130822,AKOS025401445,AC-1672,AC1672,MCULE-7555922943,MCULE7555922943,VA10688,FT-0603375,FT0603375,3-Hydroxyestra-1,3Hydroxyestra1,3,"5(10)-trien-17-yl 3-cyclopentylpropano","5(10)trien17yl 3cyclop
entylpropano",T0168,S4046,Depofemin,"Estradiol Cypionate"}

> <pdid>
PD002342

> <targets>
{"Estrogen/progestogen Receptor"}

> <classes>
{}

> <pubchem_cids>
{3263}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  0  0            999 V2000
    3.7993    1.3367    0.0000 Ca  0  2
   -2.0490   -1.1830    0.0000 C   0  0
   -0.7500   -0.4330    0.0000 C   0  0
    0.7500   -0.4330    0.0000 O   0  0
    0.0000    0.8660    0.0000 C   0  0
    0.0000    2.3561    0.0000 P   0  0
   -1.2993    3.1057    0.0000 O   0  5
   -0.0007    3.8561    0.0000 O   0  5
    1.2985    3.1069    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  3  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  2  0
M  CHG  3   1   2   7  -1   8  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11186

> <plate>
PLATE 003

> <well>
H6

> <supplier_cmpd_name>
Fosfomycin calcium

> <ctcr_id>
5506

> <supplier_cmpd_id>
T0170

> <smiles>
[Ca++].CC1OC1[P]([O-])([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{26016-98-8,26016988,"Phosphomycin calcium salt","calcium (3-methyloxiran-2-yl)phosphonate","calcium (3methyloxiran2yl)phosphonate",C3H5O4P.Ca,fosphomycin,NCGC00094949-01,NCGC0009494901,SPECTRUM150203
9,CHEMBL1363715,SCHEMBL21293791,HMS502O15,HMS1921F22,HMS2092P21,BCP28495,CCG-39697,CCG39697,AKOS015951252,NE13725,NCGC,T0170,T3131,1502039,"Fosfomycin calcium",FOSFOMYCIN}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5702189}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    8.6400   -1.0822    0.0000 H   0  3
    6.1400   -1.0822    0.0000 Cl  0  5
   -2.9790   -5.5336    0.0000 C   0  0
   -2.9537   -4.0338    0.0000 N   0  0
   -1.6420   -3.3046    0.0000 C   0  0
   -1.6167   -1.8039    0.0000 C   0  0
   -0.3049   -1.0747    0.0000 C   0  0
   -0.2800    0.4200    0.0000 C   0  0
    0.0000    2.2500    0.0000 C   0  0
   -0.4900    3.3700    0.0000 C   0  0
   -0.5500    1.7600    0.0000 C   0  0
   -2.0000    1.1200    0.0000 C   0  0
   -3.4200    1.7700    0.0000 C   0  0
   -4.6300    0.8200    0.0000 C   0  0
   -4.4000   -0.6700    0.0000 C   0  0
   -2.9800   -1.2400    0.0000 C   0  0
   -1.7900   -0.2300    0.0000 C   0  0
    0.7800    1.1200    0.0000 C   0  0
    1.8800    2.2400    0.0000 C   0  0
    3.3200    1.7500    0.0000 C   0  0
    3.6400    0.2500    0.0000 C   0  0
    2.5000   -0.7300    0.0000 C   0  0
    1.0400   -0.2000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  8  1  0
 17 12  1  0
 11 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23  8  1  0
 23 18  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11187

> <plate>
PLATE 003

> <well>
H7

> <supplier_cmpd_name>
Maprotiline hydrochloride

> <ctcr_id>
3721

> <supplier_cmpd_id>
T0172

> <smiles>
[H+].[Cl-].CNCCCC12CCC(c3ccccc13)c4ccccc24

> <pd_targets>
{CYP2D6,RORC,PMP22,AMPC,KMT2A,MEN1,CYP3A4,LMNA,GAA,CYP2C19,SMN1,FFP,TP53,HTT,MAPK1,SLC6A2,HTR2C,SLC6A3,KDM4E,TSHR,LEF,ADRA1A,HTR2A,SLC6A4,CHRM1,THPO,CYP1A2,ADRA1B,TRPM3,IMPA1,HRH1,KCNJ6,GRIN1,GRIN2A,G
RIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,ADRA2C,HTR2B,DRD3,MTOR,ADRA2B,CHRM4,CHRM5,HTR6,CACNA1C,DRD2,CHRM2,ADRA1D,DRD5,ADRA2A,HRH2,CHRM3,KCNJ5,HTR7,MBTD1,L3MBTL3,L3MBTL1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Epigenetic regulator","Other nuclear protein",Transporter,"Membrane receptor","Ion channel","Cytochrome P450","Nuclear receptor",Hydrolase,Reader
,Transferase,Kinase,"Electrochemical transporter","Family A G protein-coupled receptor",Eraser,Protease,"Voltage-gated ion channel","Ligand-gated ion channel","Cytochrome P450 family 2","Nuclear hormo
ne receptor subfamily 1",Bromodomain,"Cytochrome P450 family 3","Methyl-lysine/arginine binding protein","Protein Kinase","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)"
,"Lysine demethylase","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 1","Potassium channels","Ionotropic glutamate receptor","Voltage-gated calcium channel","Cytochrome 
P450 family 2D","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Tudor domain","CMGC protein kinase group","SLC06 neurotransmitter transporter fa
mily","Monoamine receptor","Jumonji domain-containing","Glycohormone receptor","Metallo protease MAE clan","Cytochrome P450 family 1A","Inwardly rectifying potassium channel","NMDA receptor","Atypical
 protein kinase group","MBT domain","Cytochrome P450 2D6","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cytochrome P450 2C19","CMGC protein kinase MAPK family","Seroto
nin receptor","Metallo protease M34 family","Adrenergic receptor","Acetylcholine receptor","Cytochrome P450 1A1","Histamine receptor","Dopamine receptor","Atypical protein kinase PIKK family","CMGC pr
otein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Other protein targets","Cytochrome P450","Nuclear hormone receptors","3.2.1.- Glycosidases","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers",
"G protein-coupled receptors","Chromatin modifying enzymes","Voltage-gated ion channels","Inositol phosphate turnover","Chromatin-interacting transcriptional repressors","CYP2 family: drug metabolisin
g subset","1F. Retinoic acid-related orphans","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC6 neurotransmitter transporter family","5-Hydroxytryptamine receptors","1.14.11.- Histon
e demethylases","Glycoprotein hormone receptors",Adrenoceptors,"Acetylcholine receptors (muscarinic)","CYP1 family","Transient Receptor Potential channels","Inositol monophosphatase","Histamine recept
ors","Potassium channels","Dopamine receptors",Atypical,"Voltage-gated calcium channels","Methyllysine reader proteins","Mitogen-activated protein kinases (MAP kinases)","Monoamine transporter subfami
ly","Inwardly rectifying potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Developmental Biology","Cell Cycle",Disease,"Metabolism of RNA","Immune System","Signal Transduction","Neuronal System",Hemostasis,"Transport of small mo
lecules","Biological oxidations","RNA Polymerase II Transcription","Nervous system development","Metabolism of lipids",Mitotic,"Diseases of metabolism","Metabolism of non-coding RNA","Cell Cycle Check
points","Innate Immune System","Disorders of transmembrane transporters","Signaling by GPCR","Infectious disease","Transmission across Chemical Synapses","Platelet activation","signaling and aggregati
on","Ion channel transport","Inositol phosphate metabolism","Phase I - Functionalization of compounds","Generic Transcription Pathway","EGR2 and SOX10-mediated initiation of Schwann cell myelination",
"Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Diseases of carbohydrate metabolism","snRNP Assembly","G1/S DNA Damage Checkpoints","Toll-like Receptor Cascades","SLC transporte
r disorders","GPCR ligand binding","Leishmania infection","Uptake and actions of bacterial toxins","Neurotransmitter clearance","Platelet Aggregation (Plug Formation)","Stimuli-sensing channels","Synt
hesis of IP2",IP,"and Ins in the cytosol","Neurotransmitter receptors and postsynaptic signal transmission","Axon guidance","Cytochrome P450 - arranged by substrate type","Transcriptional regulation b
y RUNX3","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Glycogen storage diseases","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by MECP2","Toll Like Rec
eptor 5 (TLR5) Cascade","Defective SLC6A2 causes orthostatic intolerance (OI)","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Leishmania para
site growth and survival","Uptake and function of anthrax toxins","Serotonin clearance from the synaptic cleft","TRP channels","GABA receptor activation","Transcriptional Regulation by TP53","NCAM sig
naling for neurite out-growth",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Mitotic Anaphase","Glycogen storage disease type II (GAA)","p53-Dependent G1
 DNA Damage Response","Regulation of MECP2 expression and activity","MyD88 cascade initiated on plasma membrane","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania paras
ite infection","GABA B receptor activation","Regulation of TP53 Activity","NCAM1 interactions","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Stabilization 
of p53","MAP kinase activation","Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors,"Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxylate
d or N-dealkylated by CYP1A2","Histamine receptors","Activation of GABAB receptors","Dopamine receptors","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Methylatio
n","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Inhibition  of voltage gated Ca2+ channel
s via Gbeta/gamma subunits","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{SLC6A2}

> <broad_moa>
{"norepinephrine reputake inhibitor","tricyclic antidepressant"}

> <synonyms>
{"Maprotiline hydrochloride",10347-81-6,10347816,"Maprotiline Hcl",Ludiomil,Psymion,"Maprotilline HCl",UNII-7C8J54PVFI,UNII7C8J54PVFI,"Maprotiline (hydrochloride)","Maprotiline Hydrochlorine",7C8J54PV
FI,MLS000069552,MLS000557000,Deprilept,N-Methyl-9,NMethyl9,10-ethanoanthrac,10ethanoanthrac,S2517,SAM001246989,1500373,"Maprotiline HCl",CPD000148117,"MAPROTILINE HYDROCHLORIDE"}

> <pdid>
PD009633

> <targets>
{"Reuptake inhibitor"}

> <classes>
{antidepressant,"Neuronal Signaling"}

> <pubchem_cids>
{71478,657219}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 23  0  0  0  0            999 V2000
   12.8833   -4.5076    0.0000 Cl  0  0
    5.1937   -3.0093    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4855   -9.7648    0.0000 C   0  0
    7.7846  -10.5149    0.0000 C   0  0
    9.0836   -9.7649    0.0000 C   0  0
   10.3826  -10.5149    0.0000 O   0  0
    9.0836   -8.2649    0.0000 C   0  0
    7.7846   -7.5149    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  3 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11188

> <plate>
PLATE 003

> <well>
H8

> <supplier_cmpd_name>
Nylidrin hydrochloride

> <ctcr_id>
1938

> <supplier_cmpd_id>
T0173

> <smiles>
Cl.CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2

> <pd_targets>
{NFO,ADRA1A,ADRA1B,ADRA1D,BLM,AMPC,LMNA,CACNA1I,IFNAR2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Ion channel",Hydrolase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Small molecule receptor (family A GPCR)","Voltage-gated c
alcium channel","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,"Voltage-gated ion channels","Catalytic receptors","Voltage-gated calcium channels","Cytokine receptor family","Interferon receptor family"}

> <pathway_reactome>
{"DNA Repair","Cell Cycle","Developmental Biology","Immune System","DNA Double-Strand Break Repair",Mitotic,"Nervous system development","Cytokine Signaling in Immune system","Homology Directed Repair
","M Phase","Axon guidance","Interferon Signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","NCAM signaling for neurite out-growth
","Interferon alpha/beta signaling","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","NCAM1 interactions","Regulation of IFNA signaling","Homologous DNA Pairing and Strand Exchange","Nu
clear Envelope (NE) Reassembly","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRB2}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{SCHEMBL15512520,AKOS026749811,Verina,Arlibide,Arlidin,Buphedrin,Dilatol,Vasiten,"Buphenin hydrochloride","Suprifen psb hydrochloride",Tocodilydrin,UNII-EC69E3PW7E,UNIIEC69E3PW7E,Bufedon,Dilydrin,Peni
tardon,Rolidrin,Rudilin,Tocodrin,EC69E3PW7E,N,T0173,1500445,"Nylidrin hydrochloride","NYLIDRIN HYDROCHLORIDE"}

> <pdid>
PD013338

> <targets>
{}

> <classes>
{"vasodilator (peripheral)"}

> <pubchem_cids>
{657392,13320,5702098}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 15  0  0  0  0            999 V2000
    8.9990    0.0000    0.0000 Cl  0  0
    5.2029   -2.9932    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4983   -0.7414    0.0000 N   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  8  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11189

> <plate>
PLATE 003

> <well>
H9

> <supplier_cmpd_name>
Amiloride hydrochloride

> <ctcr_id>
6001

> <supplier_cmpd_id>
T0175

> <smiles>
Cl.NC(=N)NC(=O)c1nc(Cl)c(N)nc1N

> <pd_targets>
{SLC9A3,CYP1A2,KDM4E,GAA,LMNA,HSD17B10,ALDH1A1,TDP1,HPGD,GLA,RORC,PLAU,THRB,SLC9A5,ASIC2,ADORA1,AOC3,SLC9A1,SLC9A2,SCNN1A,CYP2D6,CYP2C19,PRSS1,TSHR,ASIC3,PRKD1,PLK1,SCN5A,ASIC1,BLM,HTT,DYRK1A,MAOA,SLC
22A1,ADORA2A,SLC22A2,SCNN1B,SCNN1G,TRPC7,TRPV2,PKD2L1,TRPA1,TRPC6,SCNN1D,AOC1}

> <pathway_gtopdb>
{Transporter,Enzyme,"Epigenetic regulator","Other nuclear protein","Transcription factor","Ion channel","Membrane receptor","Unclassified protein","Electrochemical transporter","Cytochrome P450",Erase
r,Hydrolase,Protease,Oxidoreductase,"Nuclear receptor","Ligand-gated ion channel","Family A G protein-coupled receptor",Kinase,"Voltage-gated ion channel","SLC superfamily of solute carriers","Cytochr
ome P450 family 1","Lysine demethylase","Serine protease","Nuclear hormone receptor subfamily 1","Acid-sensing ion channel","Small molecule receptor (family A GPCR)","Epithelial sodium channel","Cytoc
hrome P450 family 2","Peptide receptor (family A GPCR)","Protein Kinase","Voltage-gated sodium channel","Transient receptor potential channel","SLC09 family of sodium/hydrogen exchangers","Cytochrome 
P450 family 1A","Jumonji domain-containing","Serine protease PA clan","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group A","Nucleotide-like receptor (family A 
GPCR)","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Glycohormone receptor","CAMK protein kinase group","Other protein kinase group","CMGC protein kinase group","SLC22 family of organic cat
ion and anion transporters","Cytochrome P450 1A1","Serine protease S1A subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group A member 2","Adeno
sine receptor","Cytochrome P450 2D6","Cytochrome P450 2C19","CAMK protein kinase PKD family","Other protein kinase PLK family","CMGC protein kinase DYRK family","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Transporters,Enzymes,Receptors,"Ion channels","SLC superfamily of solute carriers","Cytochrome P450","Chromatin modifying enzymes","3.2.1.- Glycosidases","Eicosanoid turnover","Nuclear hormone recept
ors","Peptidases and proteinases","Ligand-gated ion channels","G protein-coupled receptors","1.-.-.- Oxidoreductases","Kinases (EC 2.7.x.x)","Catalytic receptors","Voltage-gated ion channels","Catecho
lamine turnover","SLC9 family of sodium/hydrogen exchangers","CYP1 family","1.14.11.- Histone demethylases","Prostaglandin synthases","1F. Retinoic acid-related orphans","PA: Serine (S) Peptidases","1
A. Thyroid hormone receptors","Acid-sensing (proton-gated) ion channels (ASICs)","Adenosine receptors","Epithelial sodium channel (ENaC)","CYP2 family: drug metabolising subset","Glycoprotein hormone 
receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","Voltage-gated sodium channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC22 family of organic cation and a
nion transporters","Transient Receptor Potential channels","S1: Chymotrypsin","Protein kinase D (PKD) family","Other protein kinases","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (D
YRK) family","Organic cation transporters (OCT)","Polo-like kinase (PLK) family","Dyrk1 subfamily"}

> <pathway_reactome>
{"Transport of small molecules",Metabolism,Disease,"Cell Cycle","DNA Repair","Gene expression (Transcription)","Immune System","Metabolism of proteins","Signal Transduction","Developmental Biology","S
LC-mediated transmembrane transport","Biological oxidations","Diseases of metabolism",Mitotic,"Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Metabolism of lipids","RNA P
olymerase II Transcription","Innate Immune System","Post-translational protein modification","Ion channel transport","Signaling by GPCR","Metabolism of carbohydrates","Metabolism of vitamins and cofac
tors","Infectious disease","Nervous system development","Transport of inorganic cations/anions and amino acids/oligopeptides","Phase I - Functionalization of compounds","Diseases of carbohydrate metab
olism","M Phase","Branched-chain amino acid catabolism","Nonhomologous End-Joining (NHEJ)","Biosynthesis of specialized proresolving mediators (SPMs)","Sphingolipid metabolism","Generic Transcription 
Pathway","Neutrophil degranulation",SUMOylation,"Stimuli-sensing channels","GPCR ligand binding","Glycosaminoglycan metabolism","Metabolism of water-soluble vitamins and cofactors","Leishmania infecti
on","Mitotic G2-G2/M phases","Axon guidance","Homology Directed Repair","Mitotic G1 phase and G1/S transition","Transport of bile salts and organic acids","metal ions and amine compounds","Sodium/Prot
on exchangers","Cytochrome P450 - arranged by substrate type","Glycogen storage diseases","Mitotic Metaphase and Anaphase","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Glycosphingolipid met
abolism","Transcriptional regulation by RUNX3","SUMO E3 ligases SUMOylate target proteins","Class A/1 (Rhodopsin-like receptors)","Hyaluronan metabolism","Cobalamin (Cbl","vitamin B12) transport and m
etabolism","Leishmania parasite growth and survival","Sphingolipid de novo biosynthesis","G2/M Transition","L1CAM interactions","HDR through Homologous Recombination (HRR) or Single Strand Annealing (
SSA)","Transcriptional Regulation by MECP2","G0 and Early G1","Amine Oxidase reactions","Organic cation/anion/zwitterion transport","Netrin-1 signaling","TRP channels",Xenobiotics,"Glycogen storage di
sease type II (GAA)","Mitotic Anaphase","Biosynthesis of D-series resolvins","RUNX3 Regulates Immune Response and Cell Migration","SUMOylation of intracellular receptors","Nucleotide-like (purinergic)
 receptors","Hyaluronan uptake and degradation","Anti-inflammatory response favouring Leishmania parasite infection","Centrosome maturation","Interaction between L1 and Ankyrins","HDR through Homologo
us Recombination (HRR)","Regulation of MECP2 expression and activity","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Organic cation transport","Role of second messengers i
n netrin-1 signaling","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Adenosine P1 receptors","CYP2E1 reactions","ADORA2B mediated anti-inflammat
ory cytokines production","Loss of proteins required for interphase microtubule organization from the centrosome","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Refo
rmation","Loss of Nlp from mitotic centrosomes","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{AOC1,ASIC1,ASIC2,ASIC3,PKD2,PKD2L1,PLAU,SCNN1A,SCNN1B,SCNN1D,SCNN1G,SLC9A1,TRPC7,TRPV2}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{"AMILORIDE HYDROCHLORIDE",2016-88-8,2016888,"Amiloride HCL","Amiloride chloride","Amiloride (hydrochloride)","Amiloride HCl anhydrous","Amiloride hydrochloride anhydrous",UNII-7M458Q65S3,UNII7M458Q65
S3,"Amiloride hydrochloride hydrate",N-Amidino-3,NAmidino3,5-d,5d,1500112}

> <pdid>
PD009902

> <targets>
{Apoptosis,Sodium Channel,TRP Channel}

> <classes>
{Na+ channel inhibitor,diuretic,Apoptosis,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{16230,657389}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
   14.4385   -0.9482    0.0000 H   0  3
   11.9385   -0.9482    0.0000 Br  0  5
   -1.8778    2.7573    0.0000 C   0  0
   -1.0947    1.4779    0.0000 N   0  0
    0.0000    0.6568    0.0000 C   0  0
   -0.6568   -0.6386    0.0000 C   0  0
   -1.8063   -1.3319    0.0000 C   0  0
   -0.8393    0.0000    0.0000 C   0  0
    0.9488    0.0000    0.0000 C   0  0
    1.8975   -0.8028    0.0000 C   0  0
    1.6421    0.6933    0.0000 C   0  0
    2.6654   -2.0798    0.0000 O   0  0
    4.1661   -2.0555    0.0000 C   0  0
    4.8945   -0.7443    0.0000 O   0  0
    4.9382   -3.3425    0.0000 C   0  0
    4.2098   -4.6537    0.0000 O   0  0
    6.4389   -3.3181    0.0000 C   0  0
    7.2125   -4.6033    0.0000 C   0  0
    8.7123   -4.5759    0.0000 C   0  0
    9.4385   -3.2634    0.0000 C   0  0
    8.6649   -1.9783    0.0000 C   0  0
    7.1652   -2.0056    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  5  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11190

> <plate>
PLATE 003

> <well>
H10

> <supplier_cmpd_name>
Homatropine Bromide

> <ctcr_id>
5485

> <supplier_cmpd_id>
T0177

> <smiles>
[H+].[Br-].CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3

> <pd_targets>
{BLM,SMN1,TDP1,CHRM4,CHRM5,CHRM2,CHRM3,CHRM1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor",Reader,Hydrolase,"Family A G protein-coupled receptor","Methyl-lysine/arginine binding protein","Small molecule receptor (family A GPCR)","Tudor doma
in","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"DNA Repair","Metabolism of RNA","Signal Transduction","DNA Double-Strand Break Repair","Metabolism of non-coding RNA","Signaling by GPCR","Homology Directed Repair","snRNP Assembly","Nonhomologous E
nd-Joining (NHEJ)","GPCR ligand binding","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR
)","Amine ligand-binding receptors","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine receptors","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CHRM1}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"HOMATROPINE HYDROBROMIDE","DL-Homatropine hydrobromide","DLHomatropine hydrobromide","Isopto Homatropine",51-56-9,51569,SR-01000075900,SR01000075900,C16H21NO3.HBr,"Tropine mandelate hydrobromide","H
omatropine HBr",homatropinhydrobromid,SCHEMBL41951,ARONIS24469,Tox21_500592,Tox21500592,Tox21-500592,"Tox21 500592",SBB0569,1500332,"HOMATROPINE BROMIDE"}

> <pdid>
PD006610

> <targets>
{}

> <classes>
{"anticholinergic (opthalmic)"}

> <pubchem_cids>
{5821,45033137,23146865}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 27  0  0  0  0            999 V2000
    2.8680   -2.3863    0.0000 N   0  0
    1.9101   -1.2319    0.0000 C   0  0
    2.4316    0.1754    0.0000 C   0  0
    1.4738    1.3297    0.0000 O   0  0
    3.9110    0.4284    0.0000 N   0  0
    4.9609   -0.6251    0.0000 C   0  0
    6.2904    0.0695    0.0000 C   0  0
    6.0406    1.5486    0.0000 C   0  0
    5.4878    2.9368    0.0000 C   0  0
    4.5567    1.7681    0.0000 C   0  0
    4.7303   -2.1054    0.0000 C   0  0
    4.4994   -3.5875    0.0000 N   0  0
    0.4600   -1.4800    0.0000 C   0  0
   -1.4000   -1.8100    0.0000 C   0  0
   -2.8500   -1.5200    0.0000 C   0  0
   -4.4800   -2.2100    0.0000 C   0  0
   -2.6000   -2.1800    0.0000 C   0  0
   -2.5400   -1.3600    0.0000 C   0  0
   -1.2300   -0.3200    0.0000 C   0  0
   -1.2199    1.1800    0.0000 O   0  0
   -2.8500   -0.7400    0.0000 C   0  0
    0.4900   -0.6700    0.0000 C   0  0
   -1.1200   -2.5800    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 10  8  1  0
  6 11  1  0
 11 12  3  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 15  1  0
 19 22  1  0
 22 13  1  0
 17 23  1  0
 23 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11191

> <plate>
PLATE 003

> <well>
H11

> <supplier_cmpd_name>
Saxagliptin hydrate

> <ctcr_id>
2987

> <supplier_cmpd_id>
T0178

> <smiles>
NC(C(=O)N1C(CC2CC12)C#N)C34CC5CC(CC(O)(C5)C3)C4

> <pd_targets>
{DPP4,DPP8,DPP9,CYP3A4}

> <pathway_gtopdb>
{Enzyme,Protease,"Cytochrome P450","Serine protease","Cytochrome P450 family 3","Serine protease SC clan","Cytochrome P450 family 3A","Serine protease S9B subfamily","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","Cytochrome P450","SC: Serine (S) Peptidases","CYP3 family","S9: Prolyl oligopeptidase"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Peptide hormone metabolism","Metabolism of lipids","Incretin synthesis",secretion,"and inactivation","Biosynthesis of specialized proresolving mediators (SPMs)",S
ynthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{DPP4}

> <broad_moa>
{"dipeptidyl peptidase inhibitor"}

> <synonyms>
{Saxagliptin,361442-04-8,361442048,BMS-477118,BMS477118,1564265-93-5,1564265935,SCHEMBL988028,"(2 pound feminineR,2S,cis)-Saxagliptin","(2 pound feminineR,2S,cis)Saxagliptin",FT-0660429,FT0660429,T017
8,S1540,"Saxagliptin hydrate"}

> <pdid>
PD001122

> <targets>
{DPP-4}

> <classes>
{Proteases}

> <pubchem_cids>
{58391580}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    2.7246    3.6987    0.0000 C   0  0
    1.9792    5.0003    0.0000 C   0  0
    1.9603    6.5010    0.0000 C   0  0
    1.0269    7.6485    0.0000 C   0  0
    1.5597    9.0507    0.0000 C   0  0
    3.0405    9.2903    0.0000 C   0  0
    3.5733   10.6924    0.0000 F   0  0
    3.9883    8.1277    0.0000 C   0  0
    5.4691    8.3673    0.0000 F   0  0
    3.4555    6.7255    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -2.2051   -3.7579    0.0000 C   0  0
   -2.9890   -5.0368    0.0000 C   0  0
   -2.4129   -6.4199    0.0000 O   0  0
   -0.9247   -6.6138    0.0000 C   0  0
   -0.3476   -7.9993    0.0000 C   0  0
    1.1398   -8.1931    0.0000 O   0  0
   -4.4475   -4.6865    0.0000 C   0  0
   -5.5882   -5.6605    0.0000 O   0  0
   -4.5650   -3.1911    0.0000 C   0  0
   -5.8390   -2.3993    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  9  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 19 12  1  0
  7 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 26 31  1  0
 31 32  1  0
 31 33  1  0
 33 24  1  0
 33 34  1  0
 23 35  1  0
 35 20  1  0
 35 36  2  0
 36  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11192

> <plate>
PLATE 004

> <well>
A2

> <supplier_cmpd_name>
Ticagrelor

> <ctcr_id>
3171

> <supplier_cmpd_id>
T0179

> <smiles>
CCCSc1nc(NC2CC2c3ccc(F)c(F)c3)c4nnn(C5CC(OCCO)C(O)C5O)c4n1

> <pd_targets>
{SLC29A1,P2RY12}

> <pathway_gtopdb>
{Transporter,"Membrane receptor","Electrochemical transporter","Family A G protein-coupled receptor","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","SLC28 and SLC29 fam
ilies of nucleoside transporters","Nucleotide-like receptor (family A GPCR)","SLC29 Facilitative nucleoside transporter family","Purine receptor"}

> <pathway_chembl>
{Transporters,Receptors,"SLC superfamily of solute carriers","G protein-coupled receptors","SLC28 and SLC29 families of nucleoside transporters","P2Y receptors","SLC29 family"}

> <pathway_reactome>
{"Transport of small molecules","Signal Transduction","SLC-mediated transmembrane transport","Signaling by GPCR","Transport of vitamins",nucleosides,"and related molecules","GPCR ligand binding","Tran
sport of nucleosides and free purine and pyrimidine bases across the plasma membrane","Class A/1 (Rhodopsin-like receptors)","Nucleotide-like (purinergic) receptors","P2Y receptors"}

> <broad_targets>
{P2RY12}

> <broad_moa>
{"purinergic receptor antagonist"}

> <synonyms>
{2096989-55-6,2096989556,2096989-56-7,2096989567,"Ticagrelor  Form",SCHEMBL2157189,"Ticagrelor Related Compound 16",HMS3652C10,HMS3740I11,BCP05311,STL453527,AKOS026749815,NCGC00389785-01,NCGC003897850
1,AK-59715,AK59715,DB-015849,DB015849,FT-0675226,FT0675226,FT-0699670,FT0699670,"AR-C 126532XX;AZD 6140;AZD6140;AZD-614","ARC 126532XX;AZD 6140;AZD6140;AZD614",T0179,S4079,Ticagrelor}

> <pdid>
PD009197

> <targets>
{"P2 Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{22052291}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 33  0  0  1  0            999 V2000
   16.0422   -0.7979    0.0000 Cl  0  5
    0.3470    3.9090    0.0000 C   0  0
    1.8104    3.5799    0.0000 C   0  0
    2.2582    2.1474    0.0000 O   0  0
    3.7225    1.8180    0.0000 C   0  0
    4.7389    2.9212    0.0000 O   0  0
    4.1703    0.3856    0.0000 C   0  0  2  0  0  0
    5.6342    0.0546    0.0000 C   0  0
    6.6534    1.1562    0.0000 C   0  0
    8.1173    0.8252    0.0000 C   0  0
    9.1376    1.9248    0.0000 C   0  0
   10.6000    1.5910    0.0000 C   0  0
   11.0422    0.1577    0.0000 C   0  0
   10.0219   -0.9419    0.0000 C   0  0
    8.5595   -0.6081    0.0000 C   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0  1  0  0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
   -1.3993   -2.9127    0.0000 C   0  0
   -0.5521   -4.1515    0.0000 C   0  0
    0.9435   -4.0368    0.0000 O   0  0
   -1.2001   -5.5043    0.0000 O   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.4008   -2.9088    0.0000 O   0  0
   13.5422   -0.7979    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  7 16  1  0
 17 16  1  6
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 26 31  1  0
 31 17  1  0
 31 32  2  0
M  CHG  2   1  -1  33   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11193

> <plate>
PLATE 004

> <well>
A3

> <supplier_cmpd_name>
Benazepril hydrochloride

> <ctcr_id>
1108

> <supplier_cmpd_id>
T0180

> <smiles>
[Cl-].CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CCc3ccccc3N(CC(O)=O)C2=O.[H+]

> <pd_targets>
{ACE,ABCB11}

> <pathway_gtopdb>
{Enzyme,Transporter,Protease,"Primary active transporter","Metallo protease","ATP-binding cassette","Metallo protease MAE clan","ABCB subfamily","Metallo protease M2 family"}

> <pathway_chembl>
{Enzymes,Transporters,"Peptidases and proteinases","ATP-binding cassette transporter family","MA: Metallo (M) Peptidases","ABCB subfamily","M2: Angiotensin-converting  (ACE and ACE2)"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Peptide hormone metabolism","Metabolism of lipids","Metabolism of Angiotensinogen to Angiotensins","Metabolism of steroids","Bile acid and bile salt metabolism","
Synthesis of bile acids and bile salts","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{ACE}

> <broad_moa>
{"angiotensin converting enzyme inhibitor"}

> <synonyms>
{"BENAZEPRIL HYDROCHLORIDE",86541-74-4,86541744,"Benazepril HCl",Lotensin,Cibacen,Cibacene,Briem,Tensanil,Zinadril,Cibace,Labopol,"CGS 14824A HCl","Benazepril (hydrochloride)",UNII-N1SN99T69T,UNIIN1SN
99T69T,"CGS 14824A",MFCD00895734,C24H29ClN2O5,CHEBI:3012,N1SN99,T0180,SAM001246712,1505200,Prestw-1129,"Benazepril hydrochloride",CPD000469199}

> <pdid>
PD006990

> <targets>
{}

> <classes>
{antihypertensive,"ACE inhibitor"}

> <pubchem_cids>
{5362123,67107870}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    0.3871    7.3487    0.0000 C   0  0
    1.4376    6.2780    0.0000 C   0  0
    1.0363    4.8318    0.0000 O   0  0
    2.0874    3.7605    0.0000 C   0  0
    3.5398    4.1354    0.0000 O   0  0
    1.6861    2.3143    0.0000 O   0  0
    2.7117    1.2364    0.0000 C   0  0
    3.6011    0.0286    0.0000 C   0  0
    2.7272   -1.1906    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 O   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981    0.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    1.3949    1.7454    0.0000 C   0  0
    4.1685    1.5408    0.0000 C   0  0
    4.6146    2.9729    0.0000 O   0  0
    5.1865    0.4381    0.0000 O   0  0
    6.6508    0.7675    0.0000 C   0  0
    7.6683   -0.3347    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  3
 23 24  1  0
 24 14  1  0
 24 18  1  0
 24 25  1  0
 13 26  1  0
 11 27  1  0
  7 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11194

> <plate>
PLATE 004

> <well>
A4

> <supplier_cmpd_name>
Loteprednol etabonate

> <ctcr_id>
7840

> <supplier_cmpd_id>
T0181

> <smiles>
CCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)OCCl

> <pd_targets>
{ABCC3,ABCB11,NR3C1}

> <pathway_gtopdb>
{Transporter,"Transcription factor","Primary active transporter","Nuclear receptor","ATP-binding cassette","Nuclear hormone receptor subfamily 3","ABCC subfamily","ABCB subfamily","Nuclear hormone rec
eptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Transporters,Receptors,"ATP-binding cassette transporter family","Nuclear hormone receptors","ABCC subfamily","ABCB subfamily","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of lipids","RNA Polymerase II Transcription","Metabolism of steroids","Generic Transcription Pathway","Bile acid and bile salt metabolism","FO
XO-mediated transcription","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Synthesis of b
ile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist","phospholipase inhibitor"}

> <synonyms>
{W219981,SW219981-1,SW2199811,"SW219981 1",BRD-K43659793-001-01-6,BRDK43659793001016,"BRD K43659793 001 01 6",S1669,"Loteprednol etabonate"}

> <pdid>
PD003115

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{129010030}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
   10.2559   -5.2436    0.0000 C   0  0
    8.7644   -5.4025    0.0000 C   0  0
    8.1567   -6.7739    0.0000 C   0  0
    7.8797   -4.1902    0.0000 N   0  0
    6.3873   -4.3492    0.0000 C   0  0
    5.5026   -3.1368    0.0000 C   0  0
    4.0102   -3.2959    0.0000 N   0  0
    3.1255   -2.0835    0.0000 C   0  0
    3.7332   -0.7121    0.0000 O   0  0
    1.6332   -2.2426    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
    8.4849   -2.8168    0.0000 C   0  0
    7.5993   -1.6061    0.0000 C   0  0
    9.9761   -2.6548    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
  4 17  1  0
 17 18  1  0
 17 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11195

> <plate>
PLATE 004

> <well>
A5

> <supplier_cmpd_name>
Pramiracetam

> <ctcr_id>
2731

> <supplier_cmpd_id>
T0183

> <smiles>
CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{pramiracetam,68497-62-1,68497621,"Pramiracetam (INN)",N-(2-(di(propan-2-yl)amino)ethyl)-2-(2-oxopyrrolidin-1-yl)acetamide,N(2(di(propan2yl)amino)ethyl)2(2oxopyrrolidin1yl)acetamide,UNII-4449F8I3LE,UN
II4449F8I3LE,N-(2-(diisopropylamino)ethyl)-2-(2-oxopyrrolidin-1-yl)acetamide,N(2(diisopropylamino)ethyl)2(2oxopyrrolidin1yl)acetamide,1-Pyrrolidineacetamide,1Pyrrolidineacetamide,N-(2-(bis(1-methyleth
yl),N(2(bis(1methylethyl),T0183,S2594,Pramiracetam}

> <pdid>
PD010924

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{51712}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 24  0  0  1  0            999 V2000
    8.8995   -1.1258    0.0000 Cl  0  5
    3.8988   -3.7512    0.0000 C   0  0
    2.5997   -3.0012    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    3.8976   -0.7500    0.0000 C   0  0
    3.8982   -2.2498    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0  2  0  0  0
  -10.3988    1.4774    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 O   0  0
   -7.7903   -1.5136    0.0000 C   0  0  2  0  0  0
   -7.7851   -3.0136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.3995   -1.1258    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 20 21  1  1
 20 22  1  0
 22 15  1  0
 10 23  1  0
 23 24  2  0
 24  7  1  0
M  CHG  2   1  -1  25   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11196

> <plate>
PLATE 004

> <well>
A6

> <supplier_cmpd_name>
Amorolfine hydrochloride

> <ctcr_id>
7573

> <supplier_cmpd_id>
T0187

> <smiles>
[Cl-].CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1.[H+]

> <pd_targets>
{RORC}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{}

> <broad_moa>
{"membrane integrity inhibitor"}

> <synonyms>
{"amorolfine hydrochloride","Amorolfine HCl",78613-38-4,78613384,Loceryl,"Amorolfine (hydrochloride)",amorolfin,UNII-741YH7379H,UNII741YH7379H,"amorolfine  hydrochloride","Amorolfine hydrochloride (JA
N)",741YH7379H,Locetar,Odenil,"78613-38-4 (HCl)","78613384 (HCl)",106614-68-0,106614680,"Amorolfine h",T0187,S1676,"Amorolfine hydrochloride"}

> <pdid>
PD013326

> <targets>
{Others,Antibiotic,Fungal}

> <classes>
{Anti-infection}

> <pubchem_cids>
{50986744,54259}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5925    4.6865    0.0000 C   0  0
   -7.0558    6.1131    0.0000 C   0  0
   -6.0520    7.2277    0.0000 C   0  0
   -4.5848    6.9156    0.0000 C   0  0
   -4.1215    5.4889    0.0000 C   0  0
   -6.5126    8.6561    0.0000 C   0  0
   -7.9792    8.9707    0.0000 O   0  0
   -5.5066    9.7698    0.0000 N   0  0
   -5.9672   11.1982    0.0000 C   0  0  1  0  0  0
   -4.9612   12.3120    0.0000 C   0  0
   -5.4218   13.7403    0.0000 C   0  0
   -4.4158   14.8541    0.0000 C   0  0
   -4.8762   16.2817    0.0000 O   0  0
   -2.9492   14.5394    0.0000 O   0  0
   -7.4340   11.5161    0.0000 C   0  0
   -7.8928   12.9442    0.0000 O   0  0
   -8.4417   10.4050    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10  6  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 19 21  1  0
 22 21  1  6
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 22 28  1  0
 28 29  2  0
 28 30  1  0
  7 31  1  0
 31  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11197

> <plate>
PLATE 004

> <well>
A7

> <supplier_cmpd_name>
Pemetrexed acid

> <ctcr_id>
10953

> <supplier_cmpd_id>
T0189

> <smiles>
Nc1nc(=O)c2c([nH]cc2CCc2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]1

> <pd_targets>
{GART,TYMS,DHFR,THYA,FOLA,SHMT1,SLC46A1,FOLR2,ALOX15B,DFRA17,FOLR1,ATIC,SLC19A1}

> <pathway_gtopdb>
{Enzyme,Transporter,"Membrane receptor",Ligase,Transferase,Oxidoreductase,"Electrochemical transporter","SLC superfamily of solute carriers","SLC46 family of folate transporters","SLC19 family of vita
min transporters"}

> <pathway_chembl>
{Enzymes,Transporters,"2.1.2.- Hydroxymethyl-","formyl- and related transferases","2.1.1.- Methyltransferases","1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","Eicosanoid turnover","SLC
46 family of folate transporters",Lipoxygenases,"SLC19 family of vitamin transporters"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Metabolism of proteins","Metabolism of nucleotides",Mitotic,"Metabolism of vitamins and cofactors","Metabolism of lipids","Post-translational protein modification","Nucleobas
e biosynthesis","Mitotic G1 phase and G1/S transition","Metabolism of water-soluble vitamins and cofactors","Fatty acid metabolism","Asparagine N-linked glycosylation","Purine ribonucleoside monophosp
hate biosynthesis","G1/S Transition","Metabolism of folate and pterines","Arachidonic acid metabolism","Transport to the Golgi and subsequent modification","G1/S-Specific Transcription","Synthesis of 
15-eicosatetraenoic acid derivatives","ER to Golgi Anterograde Transport","Cargo concentration in the ER"}

> <broad_targets>
{ATIC,DHFR,GART,TYMS}

> <broad_moa>
{"dihydrofolate reductase inhibitor","thymidylate synthase inhibitor"}

> <synonyms>
{Pemetrexed,137281-23-3,"Pemetrexed disodium",Alimta,LY231514,UNII-04Q9AIZ7NO,"Pemetrexed acid",CHEBI:63616,04Q9AIZ7NO,LY-231514,C20H21N5O6,"137281-23-3 (free acid)","LY 231514",NSC-698037,LY-2315,"Al
imta (TN)",LYA,"Pemetrexed (INN:BAN)","HSDB 7316",1juj,"Pemetrexed (TN)","Pemetrexed (INN)","Alimta (TN) (Lilly)",SCHEMBL7968,"US9422297, Pemetrexed",CHEMBL225072,DTXSID2048329,"Premetrexed (Common mi
s-spelling)",ZINC1540998,BDBM50027656,CP0119,NSC698037,AKOS015896253,AKOS016842348,AC-1701,CS-1297,DB00642,NCGC00166414-11,NCGC00167517-01,NCGC00242485-01,AS-30680,HY-10820,DB-024764,P2288,A12668,D074
72,S-4927,41413-EP2270012A1,41413-EP2270013A1,41413-EP2305681A1,41413-EP2311838A1,41421-EP2270012A1,41421-EP2270013A1,41421-EP2305681A1,41421-EP2311838A1,89077-EP2270012A1,89077-EP2270013A1,89077-EP23
05681A1,AB01273937-01,281P233,Q415220,J-502393,"L-Glutamic acid,3-d)pyrimidin-5-yl)ethyl)benzoyl)-",1006872-74-7,T0189}

> <pdid>
PD009875

> <targets>
{DHFR,GARFT,"Thymidylate synthase"}

> <classes>
{"DNA Damage/DNA Repair",Metabolism}

> <pubchem_cids>
{135410875}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
   -4.3141   -9.2735    0.0000 C   0  0
   -3.3079   -8.1610    0.0000 C   0  0
   -2.3012   -7.0479    0.0000 C   0  0
   -1.2945   -5.9348    0.0000 C   0  0
    0.1705   -6.2486    0.0000 N   0  0
    0.7759   -7.6210    0.0000 C   0  0
    2.2682   -7.4694    0.0000 N   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 N   0  0
    5.1828   -6.0130    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2935   -3.7495    0.0000 C   0  0
   -0.0030   -2.9951    0.0000 O   0  0
    1.2883   -5.2495    0.0000 C   0  0
    0.0210   -8.9181    0.0000 N   0  0
   -1.4702   -9.0246    0.0000 C   0  0
   -2.1250  -10.3741    0.0000 C   0  0
   -1.2837  -11.6159    0.0000 C   0  0
    0.2125  -11.5082    0.0000 C   0  0
    1.0538  -12.7501    0.0000 N   0  0
    0.8673  -10.1587    0.0000 C   0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 19  1  0
 24 25  2  0
 25 15  1  0
 13 26  1  0
 26 27  2  0
 26 28  1  0
 28  5  1  0
 28  8  2  0
  6 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11198

> <plate>
PLATE 004

> <well>
A8

> <supplier_cmpd_name>
Linagliptin

> <ctcr_id>
2030

> <supplier_cmpd_id>
T0191

> <smiles>
CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N5CCCC(N)C5

> <pd_targets>
{DPP4,FAP,CHRM1,DPP9,"DPP IV",LYPLA1,POU2F1,POU2F2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Transcription factor",Protease,"Family A G protein-coupled receptor",Hydrolase,"Serine protease","Small molecule receptor (family A GPCR)","Serine p
rotease SC clan","Monoamine receptor","Serine protease S9B subfamily","Serine protease S9A subfamily","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","G protein-coupled receptors","SC: Serine (S) Peptidases","Acetylcholine receptors (muscarinic)","S9: Prolyl oligopeptidase"}

> <pathway_reactome>
{"Metabolism of proteins","Signal Transduction","Gene expression (Transcription)","Peptide hormone metabolism","Signaling by GPCR","MAPK family signaling cascades","RNA Polymerase III Transcription","
RNA Polymerase II Transcription","Incretin synthesis",secretion,"and inactivation","GPCR ligand binding","MAPK1/MAPK3 signaling","RNA Polymerase III Transcription Initiation","RNA polymerase II transc
ribes snRNA genes",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Class A/1 (Rhodopsin-like receptors)","RAF/MAP kinase cascade","RNA Polymerase III Transcription Initiation From Typ
e 3 Promoter","Amine ligand-binding receptors","RAS processing","Muscarinic acetylcholine receptors"}

> <broad_targets>
{DPP4}

> <broad_moa>
{"dipeptidyl peptidase inhibitor"}

> <synonyms>
{SCHEMBL195962,SCHEMBL17124941,HMS3656N16,HMS3750G07,"Linagliptin Impurity 10 (S-Isomer)","Linagliptin Impurity 10 (SIsomer)",STL452911,AKOS026677573,NCGC00389240-01,NCGC0038924001,AK134946,FT-0670793
,FT0670793,F0001-2392,F00012392,1383917-84-7,1383917847,T0191,S3031,Linagliptin}

> <pdid>
PD009181

> <targets>
{DPP-4}

> <classes>
{Proteases}

> <pubchem_cids>
{57389748}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  1  0            999 V2000
    1.9135   -4.8267    0.0000 C   0  0
    1.0280   -3.6160    0.0000 C   0  0
    1.6332   -2.2426    0.0000 C   0  0  2  0  0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
    3.1255   -2.0835    0.0000 C   0  0
    3.7332   -0.7121    0.0000 N   0  0
    4.0097   -3.2952    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  8  9  2  0
  3 10  1  0
 10 11  1  0
 10 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11199

> <plate>
PLATE 004

> <well>
A9

> <supplier_cmpd_name>
Levetiracetam

> <ctcr_id>
3019

> <supplier_cmpd_id>
T0192

> <smiles>
CC[C@H](N1CCCC1=O)C(N)=O

> <pd_targets>
{SV2A,CACNA1B,LMNA}

> <pathway_gtopdb>
{Transporter,"Ion channel","Electrochemical transporter","Voltage-gated ion channel","Vesicular neurotransmitter transporter family","Voltage-gated calcium channel","Other nuclear protein"}

> <pathway_chembl>
{Transporters,"Ion channels","SLC superfamily of solute carriers","Voltage-gated ion channels","SLC22 family of organic cation and anion transporters","Voltage-gated calcium channels","Atypical SLC22B
 subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Infectious disease","Transmission across Chemical Synapses","Uptake and actions of bacterial toxins","Presynaptic depolarization and calcium channel opening","Neurotoxicity
 of clostridium toxins","Toxicity of botulinum toxin type A (botA)","Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of
 Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CACNA1B,SCN1A,SV2A}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{Levetiracetam,102767-28-2,102767282,Keppra,(S)-2-(2-Oxopyrrolidin-1-yl)butanamide,(S)2(2Oxopyrrolidin1yl)butanamide,"Keppra XR","ucb L059","UCB-L 059","UCBL 059",(2S)-2-(2-oxopyrrolidin-1-yl)butanami
de,(2S)2(2oxopyrrolidin1yl)butanamide,UCB-L059,UCBL059,Levetiracetamum,Spritam,(S)-alpha-Ethyl-2-oxo-1-pyrrolidineacetamide,(S)alphaEthyl2oxo1pyrrolidineacetamide,SIB-S1,SIBS1,(-)-(S)-a,()(S)a,T0192,S
AM001246539,Prestw-1427,CPD000466303}

> <pdid>
PD001324

> <targets>
{DNA Methyltransferase}

> <classes>
{Epigenetics}

> <pubchem_cids>
{5284583}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 38  0  0  0  0            999 V2000
   21.6880   -2.2520    0.0000 O   0  0
   19.1880   -2.2520    0.0000 O   0  0
   16.6880   -2.2520    0.0000 Ca  0  2
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  5
    3.8926   -3.7566    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   14.1874   -0.7553    0.0000 C   0  0
   12.8870   -1.5031    0.0000 C   0  0
   12.8849   -3.0039    0.0000 C   0  0
   11.5846   -3.7516    0.0000 O   0  5
   14.1824   -3.7566    0.0000 O   0  0
   11.5888   -0.7500    0.0000 C   0  0
   11.5888    0.7500    0.0000 C   0  0
   10.2898    1.5000    0.0000 C   0  0
    8.9907    0.7500    0.0000 C   0  0
    8.9907   -0.7500    0.0000 C   0  0
    7.6925   -1.5031    0.0000 O   0  0
    7.6947   -3.0039    0.0000 C   0  0
    6.3982   -3.7585    0.0000 C   0  0
    6.4034   -5.2585    0.0000 C   0  0
    7.7051   -6.0040    0.0000 C   0  0
    9.0015   -5.2495    0.0000 C   0  0
    8.9963   -3.7495    0.0000 C   0  0
   10.2898   -1.5000    0.0000 C   0  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 13 21  2  0
 21  9  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 23 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 31 39  2  0
 39 27  1  0
M  CHG  3   3   2   7  -1  25  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11200

> <plate>
PLATE 004

> <well>
A10

> <supplier_cmpd_name>
Fenoprofen calcium dihydrate

> <ctcr_id>
5936

> <supplier_cmpd_id>
T0184

> <smiles>
O.O.[Ca++].CC(C([O-])=O)c1cccc(Oc2ccccc2)c1.CC(C([O-])=O)c3cccc(Oc4ccccc4)c3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Fenoprofen calcium salt dihydrate","Fenoprofen (Calcium hydrate)",71720-56-4,71720564,"Fenoprofen calcium salt hydrate","Feneprofen calcium salt dihydrate",C30H30CaO8,MFCD00242722,AKOS025311090,CCG-
270042,CCG270042,M446,"Fenoprofen calcium dihy",T0184,Prestw-754,S3027,"Fenoprofen calcium dihydrate","Fenoprofen calcium hydrate"}

> <pdid>

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{44119558,64747}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 31  0  0  0  0            999 V2000
   11.6982   -0.7323    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 N   0  0
    9.0933    0.7644    0.0000 C   0  0
    7.7919    1.5103    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 Cl  0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   14.1997   -1.8694    0.0000 O   0  0
   15.4989   -1.1198    0.0000 P   0  0
   15.4989    0.3802    0.0000 O   0  0
   15.4989   -2.6198    0.0000 O   0  0
   16.7982   -1.8694    0.0000 O   0  0
   19.2996   -1.8694    0.0000 O   0  0
   20.5989   -1.1198    0.0000 P   0  0
   20.5989    0.3802    0.0000 O   0  0
   20.5989   -2.6198    0.0000 O   0  0
   21.8982   -1.8694    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 22 12  1  0
 22 16  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  2  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11201

> <plate>
PLATE 004

> <well>
A11

> <supplier_cmpd_name>
Chloroquine diphosphate

> <ctcr_id>
6784

> <supplier_cmpd_id>
T0194

> <smiles>
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O[P](O)(O)=O.O[P](O)(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW54,"Chloroquine diphosphate","Chloroquine phosphate",50-63-5,50635,"Aralen phosphate","Chloroquine bis(phosphate)","Chloroquine diphosphate salt",Arechin,Delagil,"Chloroquine (phosphate)","Ching
amin phosphate",Khingamin,Miniquine,Tanakan,Tanakene,Arale,T0194,1500179,Prestw-548,"CHLOROQUINE DIPHOSPHATE"}

> <pdid>

> <targets>
{Autophagy,ATM/ATR}

> <classes>
{antimalarial,antiamebic,antirheumatic,"intercalating agent"}

> <pubchem_cids>
{64927,43833344}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
   -0.4763   -3.7706    0.0000 C   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.8949   -4.8318    0.0000 O   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    2.6401    0.8578    0.0000 C   0  0
    0.0000    1.2760    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6332   -2.2426    0.0000 N   0  3
   -1.0255   -3.6140    0.0000 O   0  5
   -3.1247   -2.0836    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
M  CHG  2  11   1  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11202

> <plate>
PLATE 004

> <well>
B2

> <supplier_cmpd_name>
Secnidazole

> <ctcr_id>
59

> <supplier_cmpd_id>
T0195

> <smiles>
CC(O)Cn1c(C)ncc1[N+]([O-])=O

> <pd_targets>
{ATM,MAPK1,FABH}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","CMGC protein kinase group","Atypical protein kinase PIKK family","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Mitogen-activated protein kinases (MAP kinases
)","Other PIKK family kinases","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Cell Cycle Checkpoints","Innate Immune System","G1/S DNA Damage Checkpoints","Toll-like Receptor Cascades","p53-Dependent G1/S DNA damage checkpoint","Toll Like Receptor
 5 (TLR5) Cascade","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane","Stabilization of p53","MAP kinase activation","Autodegradation of the E3 ubiquitin ligase COP1",
"MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"acetylcholinesterase inhibitor","microtubule inhibitor"}

> <synonyms>
{Secnidazole,3366-95-8,3366958,Secnidazol,Flagentyl,Secnidazolum,"Secnidazolum (INN-Latin)","Secnidazolum (INNLatin)","RP 14539","PM 185184",1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol,1(2methyl5
nitro1Himidazol1yl)propan2ol,1-(2-Methyl-5-nitro-1-imidazolyl)-2-propanol,1(2Methyl5nitro1imidazolyl)2propanol,PM-185184,PM185184,"Secnidazole (Flagentyl)",SYM-12,SYM12,T0195,SAM001246716,1505304,Pres
tw-1340,CPD000149359,SECNIDAZOLE}

> <pdid>
PD000955

> <targets>
{}

> <classes>
{antiameobic,antitrichomonas}

> <pubchem_cids>
{71815}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8926   -3.7566    0.0000 O   0  0
   -1.2948   -3.7517    0.0000 O   0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8916    3.7585    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -2.5847    6.0040    0.0000 C   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
    0.0030    2.9951    0.0000 Cl  0  0
   -5.1932    3.0130    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  4 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 13 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11203

> <plate>
PLATE 004

> <well>
B3

> <supplier_cmpd_name>
Diclofenac

> <ctcr_id>
10954

> <supplier_cmpd_id>
T0196

> <smiles>
c1ccc(c(c1)CC(=O)O)Nc1c(cccc1Cl)Cl

> <pd_targets>
{NFO,AKR1C3,HIF1A,GAA,CYP2C9,PTGS1,CYP3A4,PTGS2,ALD,BLM,FTL,TSHR,PPARG,FABP1,TTR,UGT1A10,ABCB11,CXCL8,UGT1A1,ASIC3,TRPM3,AKR1B10,UGT1A6,UGT1A9,UGT1A7,ALB,FABP2,CACNA1C,TRPA1,SLC22A6,CXCR1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Membrane receptor","Auxiliary transport protein","Secreted protein",Transporter,"Ion channel",Hydrolase,"Cytochrome P450",Oxidoreductase,"Family 
A G protein-coupled receptor","Nuclear receptor","Fatty acid binding protein family",Transferase,"Primary active transporter","Ligand-gated ion channel","Voltage-gated ion channel","Electrochemical tr
ansporter","Cytochrome P450 family 2","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","ATP-binding cassette","Acid-sensing ion channel","Voltage-ga
ted calcium channel","Transient receptor potential channel","SLC superfamily of solute carriers","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Glycohormone receptor","Nuclear hormone recept
or subfamily 1 group C","ABCB subfamily","SLC22 family of organic cation and anion transporters","Chemokine receptor","Cytochrome P450 2C9","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 
group C member 3","CXC chemokine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Ion channels","Eicosanoid turnover","3.2.1.- Glycosidases","Cytochrome P450","G protein-coupled receptors","Nuclear hormone receptors","Fatty a
cid-binding proteins",Transthyretin,"ATP-binding cassette transporter family","UDP glucuronosyltransferases (UGT)","Ligand-gated ion channels","Voltage-gated ion channels","SLC superfamily of solute c
arriers","Prostaglandin synthases","CYP2 family: drug metabolising subset",Cyclooxygenase,"CYP3 family","Glycoprotein hormone receptors","1C. Peroxisome proliferator-activated receptors","ABCB subfami
ly","Acid-sensing (proton-gated) ion channels (ASICs)","Transient Receptor Potential channels","Voltage-gated calcium channels","SLC22 family of organic cation and anion transporters","Chemokine recep
tors","Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli",Disease,"DNA Repair","Vesicle-mediated transport","Gene expression (Transcription)","Signal Transduction","Transport of small molecules","Developme
ntal Biology","Metabolism of lipids","Cellular responses to stress","Diseases of metabolism","Biological oxidations","DNA Double-Strand Break Repair","Membrane Trafficking","Infectious disease","RNA P
olymerase II Transcription","Signaling by GPCR","Ion channel transport","Metabolism of vitamins and cofactors","Nervous system development","SLC-mediated transmembrane transport","Metabolism of steroi
ds","Cellular response to hypoxia","Diseases of carbohydrate metabolism","Phase I - Functionalization of compounds","Fatty acid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)",
"Homology Directed Repair","trans-Golgi Network Vesicle Budding","Leishmania infection","Generic Transcription Pathway","Regulation of lipid metabolism by PPARalpha","GPCR downstream signalling","Phas
e II - Conjugation of compounds","GPCR ligand binding","Metabolic disorders of biological oxidation enzymes","Stimuli-sensing channels","Metabolism of fat-soluble vitamins","Triglyceride metabolism","
Axon guidance","Transport of bile salts and organic acids","metal ions and amine compounds","Bile acid and bile salt metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alp
ha","Glycogen storage diseases","Cytochrome P450 - arranged by substrate type","Arachidonic acid metabolism","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","HDR through Homologo
us Recombination (HRR) or Single Strand Annealing (SSA)","Golgi Associated Vesicle Biogenesis","Leishmania parasite growth and survival","Transcriptional Regulation by MECP2","PPARA activates gene exp
ression","G alpha (i) signalling events",Glucuronidation,"Class A/1 (Rhodopsin-like receptors)","Defective UGT1A1 causes hyperbilirubinemia","TRP channels","Retinoid metabolism and transport","Triglyc
eride catabolism","NCAM signaling for neurite out-growth","Organic cation/anion/zwitterion transport","Synthesis of bile acids and bile salts","Glycogen storage disease type II (GAA)",Xenobiotics,"Syn
thesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of maresins","Biosynthesis of DPAn-3 SPMs","HDR through Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishma
nia parasite infection","MECP2 regulates transcription factors","Visual phototransduction","Peptide ligand-binding receptors","Recycling of bile acids and salts","NCAM1 interactions","Organic anion tr
ansport","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-i
nflammatory cytokines production","The canonical retinoid cycle in rods (twilight vision)","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Chemokine receptors bind chemokines",
"Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{AKR1C3,ALOX5,ASIC1,ASIC3,KCNQ2,KCNQ3,PLA2G2A,PPARG,PTGS1,PTGS2,SCN4A}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{diclofenac,15307-86-5,15307865,"Diclofenac acid",dichlofenac,Voltaren,Diclofenacum,Diclophenac,"2-(2-((2,6-Dichlorophenyl)amino)phenyl)acetic acid","2(2((2,6Dichlorophenyl)amino)phenyl)acetic acid",D
iclofenaco,Voltarol,"2-(2,6-Dichloroanilino)phenylacetic Acid","2(2,6Dichloroanilino)phenylacetic Acid","Diclofenac resinate",Cataflam,2-(2-(2,2(2(2,6,T0196,Diclofenac}

> <pdid>
PD009905

> <targets>
{COX}

> <classes>
{Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{3033}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -1.2991    5.2507    0.0000 N   0  0
   -0.0012    6.0029    0.0000 C   0  0
   -0.0036    7.5029    0.0000 C   0  0
   -1.3039    8.2509    0.0000 N   0  0
   -2.6017    7.4988    0.0000 C   0  0
   -2.5993    5.9988    0.0000 C   0  0
   -1.3093    9.7517    0.0000 C   0  0
   -0.0128   10.5060    0.0000 O   0  0
   -2.6114   10.4982    0.0000 C   0  0
   -2.7567   11.9783    0.0000 C   0  0
   -4.2255   12.2827    0.0000 C   0  0
   -4.9689   10.9799    0.0000 C   0  0
   -3.9596    9.8703    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11  5  1  0
 11 12  1  0
 12 13  2  0
 13  3  1  0
 13 14  1  0
 14 15  1  0
  7 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11204

> <plate>
PLATE 004

> <well>
B4

> <supplier_cmpd_name>
Terazosin hydrochloride

> <ctcr_id>
7066

> <supplier_cmpd_id>
T0197

> <smiles>
COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4CCCO4

> <pd_targets>
{ADRA1A,ADRA1D,ADRA2A,ADRA2C,NFO,KMT2A,MEN1,FFP,ADRA1B,ADRA2B,KDM4E,GLA,GAA,ALDH1A1,KCNH2,HPGD,HTT,SMN1,AMPC,LMNA,HSD17B10,MAPK1,ALD,SLC22A1,ABCC4,KCNH6,KCNH7,TGFB1,TSHR,LEF,TP53,CHRM1,RORC}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Epigenetic regulator","Ion channel","Unclassified protein","Other nuclear protein",Transporter,"Secreted protein","Transcription factor","Family A G protein-coupled recept
or",Hydrolase,Reader,Transferase,Eraser,Oxidoreductase,"Voltage-gated ion channel",Kinase,"Electrochemical transporter","Primary active transporter",Protease,"Small molecule receptor (family A GPCR)",
Bromodomain,"Lysine demethylase","Potassium channels","Methyl-lysine/arginine binding protein","Protein Kinase","SLC superfamily of solute carriers","ATP-binding cassette","Peptide receptor (family A 
GPCR)","Metallo protease","Monoamine receptor","Jumonji domain-containing","Voltage-gated potassium channel","Tudor domain","CMGC protein kinase group","SLC22 family of organic cation and anion transp
orters","ABCC subfamily","Glycohormone receptor","Metallo protease MAE clan","Adrenergic receptor","CMGC protein kinase MAPK family","Metallo protease M34 family","Acetylcholine receptor","CMGC protei
n kinase ERK1","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Chromatin modifying enzymes","3.2.1.- Glycosidases","Voltage-gated ion channels","Eicosanoid turnover","Kinases (EC 2.7.x.
x)","SLC superfamily of solute carriers","ATP-binding cassette transporter family",Adrenoceptors,"1.14.11.- Histone demethylases","Potassium channels","Prostaglandin synthases","CMGC: Containing CDK",
MAPK,GSK3,"CLK families","SLC22 family of organic cation and anion transporters","ABCC subfamily","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","Voltage-gated potassium chann
els","Mitogen-activated protein kinases (MAP kinases)","Organic cation transporters (OCT)","ERK subfamily","Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Muscle contraction","Gene expression (Transcription)","Metabolism of RNA","Cell Cycle","Immune System","Transport of small molecules",Hemostasis,"Neuronal Sy
stem","Signaling by GPCR","Metabolism of lipids","Diseases of metabolism","Biological oxidations","Cardiac conduction","RNA Polymerase II Transcription","Metabolism of non-coding RNA",Mitotic,"Metabol
ism of amino acids and derivatives","Innate Immune System","SLC-mediated transmembrane transport","Platelet activation","signaling and aggregation","Potassium Channels","Diseases of signal transductio
n by growth factor receptors and second messengers","Infectious disease","Cell Cycle Checkpoints","GPCR ligand binding","Sphingolipid metabolism","Diseases of carbohydrate metabolism","Phase I - Funct
ionalization of compounds","Phase 3 - rapid repolarisation","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","snRNP Assembly","M Phase","Branched-chain amino
 acid catabolism","Toll-like Receptor Cascades","Transport of bile salts and organic acids","metal ions and amine compounds","Response to elevated platelet cytosolic Ca2+","Voltage gated Potassium cha
nnels","Signaling by TGF-beta Receptor Complex in Cancer","Leishmania infection","Uptake and actions of bacterial toxins","G1/S DNA Damage Checkpoints","Class A/1 (Rhodopsin-like receptors)","Glycosph
ingolipid metabolism","Glycogen storage diseases","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Transcriptional Regulation by MECP2","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (T
LR5) Cascade","Organic cation/anion/zwitterion transport","Platelet degranulation","Loss of Function of SMAD2/3 in Cancer","Leishmania parasite growth and survival","Uptake and function of anthrax tox
ins","p53-Dependent G1/S DNA damage checkpoint","Amine ligand-binding receptors","Glycogen storage disease type II (GAA)","Biosynthesis of D-series resolvins","Regulation of MECP2 expression and activ
ity","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Organic cation transport","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Anti-inflammatory response favouring Leishmania paras
ite infection","p53-Dependent G1 DNA Damage Response",Adrenoceptors,"Nuclear Envelope (NE) Reassembly","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Stabilization 
of p53","Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1",
"ERK/MAPK targets","ERKs are inactivated","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{Opera_ID_1910,OperaID1910,Opera-ID-1910,"Opera ID 1910",Prestwick0_000751,Prestwick0000751,Prestwick0-000751,"Prestwick0 000751",Prestwick1_000751,Prestwick1000751,Prestwick1-000751,"Prestwick1 00075
1",Prestwick2_000751,Prestwick2000751,Prestwick2-000751,"Prestwick2 000751",Prestwick3_000751,Prestwick3000751,Prestwick3-000751,"Prestwick3 000751",141269-44-5,141269445,SCHEMBL6528,Lopac0_001138,Lop
ac0001138,Lopac0-001138,"Lopac0 001138",REGID_for_CID_5401,REGIDforCID5401,REGID-for-CID-5401,"REGID for CID 5401",BSPBio_000762,BSPBio000762,BSPBio-000762,"BSPBio 000762",MLS001201836,MLS006011889,SP
Bio_002701,SPBio002701,SPBio-002701,"SPBio 002701",BPBio1_000840,BPBio1000840,BPBio1-000840,"BPBio1 000840",GTPL7302,MET029,DTXSID3023639,HMS20,T0197,SAM002589982,"Terazosin hydrochloride",CPD00005830
9}

> <pdid>
PD002848

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5401}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  1  0            999 V2000
   10.6857   -0.5742    0.0000 Na  0  3
    3.4909   -2.4366    0.0000 N   0  0
    2.0479   -2.0470    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8983   -0.7459    0.0000 O   0  0
   -2.6029   -2.9978    0.0000 O   0  5
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 S   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.1937    3.0092    0.0000 O   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -5.1017    6.1218    0.0000 C   0  0
   -4.6332    7.5468    0.0000 C   0  0
   -3.1333    7.5416    0.0000 C   0  0
   -2.6747    6.1134    0.0000 O   0  0
    3.8775   -3.8868    0.0000 C   0  0
    2.8152   -4.9458    0.0000 O   0  0
    5.3265   -4.2780    0.0000 C   0  0
    6.3872   -3.2163    0.0000 N   0  0
    7.8374   -3.6031    0.0000 O   0  0
    8.8975   -2.5420    0.0000 C   0  0
    5.7131   -5.7282    0.0000 C   0  0
    7.1061   -6.2493    0.0000 N   0  0
    7.0226   -7.7470    0.0000 C   0  0
    8.1851   -8.6948    0.0000 N   0  0
    5.5724   -8.1304    0.0000 S   0  0
    4.7596   -6.8697    0.0000 C   0  0
  3  2  1  6
  3  4  1  0
  4  5  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9  4  1  0
  9 10  1  0
 10  3  1  0
 10 11  2  0
  8 12  1  0
 12 13  2  0
 12 14  1  0
  7 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 19  1  0
  2 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 26 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 30  2  0
M  CHG  2   1   1  14  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11205

> <plate>
PLATE 004

> <well>
B5

> <supplier_cmpd_name>
Sodium ceftiofur

> <ctcr_id>
10955

> <supplier_cmpd_id>
T0198

> <smiles>
[Na+].N([C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])CSC(=O)c1ccco1)C(=O)/C(=N/OC)/c1nc(N)sc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ceftiofur sodium","Ceftiofur sodium salt",Naxcel,104010-37-9,104010379,"Ceftiofur (sodium)","CCRIS 7601","Ceftiofur monosodium salt",U-64279E,U64279E,UNII-NHI34IS56E,UNIINHI34IS56E,"CM 31-916","CM 3
1916",NHI34IS56E,CHEBI:31383,"Ceftiofur sodium (USAN)",PubChem13661,"Ceftiofur so",T0198,"Sodium ceftiofur"}

> <pdid>

> <targets>
{Antibacterial,Antibiotic,Bacterial}

> <classes>
{Microbiology&virology,Anti-infection}

> <pubchem_cids>
{23671563}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.0479    2.0470    0.0000 C   0  0  2  0  0  0
   -3.4926    2.4305    0.0000 N   0  0
   -4.5521    1.3675    0.0000 C   0  0
   -4.1610   -0.0806    0.0000 O   0  0
   -6.0026    1.7526    0.0000 C   0  0  2  0  0  0
   -6.3937    3.2007    0.0000 N   0  0
   -7.0621    0.6896    0.0000 C   0  0
   -8.5125    1.0724    0.0000 C   0  0
   -9.5692    0.0078    0.0000 C   0  0
   -9.1756   -1.4396    0.0000 C   0  0
   -7.7253   -1.8225    0.0000 C   0  0
   -6.6686   -0.7579    0.0000 C   0  0
   -0.7488    2.7970    0.0000 C   0  0
   -0.3606    4.2459    0.0000 O   0  0
    2.6003    1.4978    0.0000 C   0  0
    2.6029    2.9978    0.0000 O   0  0
    3.8983    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  6
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 14  1  0
  8 20  1  0
 20  4  1  0
 20 21  2  0
  3 22  1  0
 22 23  1  0
 22 24  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11206

> <plate>
PLATE 004

> <well>
B6

> <supplier_cmpd_name>
Cephradine

> <ctcr_id>
4050

> <supplier_cmpd_id>
T0199

> <smiles>
CC1=C(N2C(SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(O)=O

> <pd_targets>
{SLC15A2,SLC15A1,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,MAPT,KMT2A,MEN1,KDM4E,ALD,BLM}

> <pathway_gtopdb>
{Transporter,Enzyme,"Other cytosolic protein","Epigenetic regulator","Electrochemical transporter",Protease,Reader,Eraser,"SLC superfamily of solute carriers","Serine protease",Bromodomain,"Lysine dem
ethylase","SLC15 family of peptide transporters","Serine protease SE clan","Serine protease unclassified","Jumonji domain-containing","Serine protease S11 family"}

> <pathway_chembl>
{Transporters,Enzymes,"SLC superfamily of solute carriers","Chromatin modifying enzymes","SLC15 family of peptide transporters","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Transport of small molecules","Neuronal System","SLC-mediated transmembrane transport","Transmission across Chemical Synapses","Transport of inorganic cations/anions and amino acids/oligopeptides","
Neurotransmitter receptors and postsynaptic signal transmission","Proton/oligopeptide cotransporters","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor activation events","Act
ivation of AMPK downstream of NMDARs","DNA Repair","DNA Double-Strand Break Repair","Homology Directed Repair","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HDR throug
h Homologous Recombination (HRR)","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{Spectrum_001279,Spectrum001279,Spectrum-001279,"Spectrum 001279",Spectrum2_001234,Spectrum2001234,Spectrum2-001234,"Spectrum2 001234",Spectrum3_000334,Spectrum3000334,Spectrum3-000334,"Spectrum3 0003
34",Spectrum4_000271,Spectrum4000271,Spectrum4-000271,"Spectrum4 000271",Spectrum5_000673,Spectrum5000673,Spectrum5-000673,"Spectrum5 000673",BSPBio_001967,BSPBio001967,BSPBio-001967,"BSPBio 001967",K
BioGR_000762,KBioGR000762,KBioGR-000762,"KBioGR 000762",KBioSS_001759,KBioSS001759,KBioSS-001759,"KBioSS 001759",SPECTRUM1500168,SPBio_001108,SPBio001108,SPBio-001108,"SPBio 001108",CHEMBL3039443,SCHE
MBL16072830,KBio2_001759,KBio2001759,KBio2-001759,"KBio2 001759",KBio2_004327,KBio2004327,KBio2-004327,"KBio2 004327",KBio2_006895,KBio2006895,KBio2-006895,"KBio2 006895",KBio3_001187,KBio3001187,KBio
3-001187,"KBio3 001187",HMS1920,T0199,1500168,Cephradine,CEPHRADINE}

> <pdid>
PD002436

> <targets>
{Antibiotic,Bacterial,TOPK}

> <classes>
{antibacterial,Anti-infection,Cell Cycle/DNA Damage}

> <pubchem_cids>
{6710679}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    3.6547   -7.2645    0.0000 O   0  0
    2.1626   -7.4186    0.0000 C   0  0
    1.5505   -8.7881    0.0000 O   0  0
    1.2830   -6.2026    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 S   0  0
   -0.7500   -1.0323    0.0000 S   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11207

> <plate>
PLATE 004

> <well>
B7

> <supplier_cmpd_name>
Thioctic acid

> <ctcr_id>
16178

> <supplier_cmpd_id>
T0200

> <smiles>
OC(=O)CCCCC1CCSS1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Thioctic acid","(±)-±-Lipoic acid","DL-±-Lipoic acid",HY-N0492,"±-Lipoic Acid","±-Lipoic Acid"}

> <pdid>
PD000794

> <targets>
{Apoptosis,Endogenous Metabolite,HIV,Mitochondrial Metabolism,NF-ºB}

> <classes>
{Anti-infection,Apoptosis,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
.

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 18  0  0  0  0            999 V2000
   10.3769   -1.2692    0.0000 H   0  3
    7.8769   -1.2692    0.0000 Cl  0  5
    2.2129    2.1611    0.0000 C   0  0
    2.6544    0.7275    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
   -1.4008   -2.9088    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    2.0761   -1.8075    0.0000 C   0  0
    1.0222   -2.8748    0.0000 C   0  0
    1.4196   -4.3212    0.0000 C   0  0
    2.8709   -4.7003    0.0000 C   0  0
    3.9249   -3.6329    0.0000 C   0  0
    5.3762   -4.0120    0.0000 O   0  0
    3.5275   -2.1865    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12  5  1  0
  5 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 13  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11208

> <plate>
PLATE 004

> <well>
B8

> <supplier_cmpd_name>
Meptazinol hydrochloride

> <ctcr_id>
858

> <supplier_cmpd_id>
T0201

> <smiles>
[H+].[Cl-].CCC1(CCCCN(C)C1)c2cccc(O)c2

> <pd_targets>
{BCHE,ACHE,SLC22A1}

> <pathway_gtopdb>
{Enzyme,Transporter,Hydrolase,"Electrochemical transporter","SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters"}

> <pathway_chembl>
{Enzymes,Transporters,"Acetylcholine turnover","SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Metabolism of lipids","SLC-mediated transmembrane transport","Phospholipid metabolism","Transport of bile salts and organic acids","metal ions and amine com
pounds","Glycerophospholipid biosynthesis","Organic cation/anion/zwitterion transport","Synthesis of PC","Organic cation transport"}

> <broad_targets>
{BCHE}

> <broad_moa>
{"opioid receptor agonist"}

> <synonyms>
{RESTW100,"MEPTAZINOL HYDROCHLORIDE",59263-76-2,59263762,"Meptazinol HCl","Meptazinol (hydrochloride)","3-(3-Ethylhexahydro-1-methyl-1H-azepin-3-yl)phenol hydrochloride","3(3Ethylhexahydro1methyl1Haze
pin3yl)phenol hydrochloride","IL-22811 hydrochloride","IL22811 hydrochloride","WY-22811 hydrochloride","WY22811 hydrochloride","Meptazinol hydrochloride (USAN)",59263-7,592637,T0201,Prestw-1004,"Mepta
zinol hydrochloride"}

> <pdid>
PD013172

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{65483,57516064}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  5 13  1  0
 13 14  1  0
 14  2  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11209

> <plate>
PLATE 004

> <well>
B9

> <supplier_cmpd_name>
Sulbentine

> <ctcr_id>
10956

> <supplier_cmpd_id>
T0202

> <smiles>
S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1

> <pd_targets>
{OPRM1,RORC,OPRD1,KMT2A,MEN1,LMNA,HTT}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor","Epigenetic regulator","Other nuclear protein","Unclassified protein","Family A G protein-coupled receptor","Nuclear receptor",Reader,"Peptide receptor (fam
ily A GPCR)","Nuclear hormone receptor subfamily 1",Bromodomain,"Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Opioid receptor","Nuclear hormone receptor subf
amily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Nuclear hormone receptors","Opioid receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Cell Cycle","Signaling by GPCR","RNA Polymerase II Transcription",Mitotic,"GPCR downstream signalling","Generic Transcription Pathway","GPCR l
igand binding","M Phase","G alpha (i) signalling events","Transcriptional regulation by RUNX3","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase","Transcriptional Regulation by ME
CP2","Opioid Signalling","RUNX3 Regulates Immune Response and Cell Migration","Peptide ligand-binding receptors","Mitotic Anaphase","Regulation of MECP2 expression and activity","G-protein activation"
,"Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"other antifungal"}

> <synonyms>
{Dibenzthione,350-12-9,350129,Carbothialdine,Dibenzthion,Afungin,Dibenzothione,Fungiplex,Refungine,Sulbentin,Noticin,Mecal,"Carbothialdin D47","Sulbentine (INN)","D 47",UNII-D0NR12WK9J,UNIID0NR12WK9J,
"3,5-dibenzyl-1,3,5-thiadiazinane-2-thione","3,5dibenzyl1,3,5thiadiazinane2thione",D0NR12WK9J,M,T0202,Sulbentine}

> <pdid>
PD000192

> <targets>
{Antifungal}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{67686}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
   11.9554   -0.0975    0.0000 H   0  3
    9.4554   -0.0975    0.0000 Cl  0  5
    6.9546   -4.2653    0.0000 C   0  0
    5.4929   -3.9285    0.0000 N   0  0
    5.0525   -2.4938    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  8  1  0
 22 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11210

> <plate>
PLATE 004

> <well>
B10

> <supplier_cmpd_name>
Protriptyline hydrochloride

> <ctcr_id>
2879

> <supplier_cmpd_id>
T0204

> <smiles>
[H+].[Cl-].CNCCCC1c2ccccc2C=Cc3ccccc13

> <pd_targets>
{SULT1A1,NFO,KMT2A,MEN1,KDM4E,PMP22,SLC6A2,NFKB1,HSD17B10,SLC6A4,ADORA3,CYP3A4,THPO,HRH1,SULT2A1,CYP2D6,TP53,LMNA,SLC6A3,CHRM1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Transporter,"Other cytosolic protein","Membrane receptor","Transcription factor","Other nuclear protein",Transferase,Hydrolase,Reader,Eraser,"Elec
trochemical transporter",Oxidoreductase,"Family A G protein-coupled receptor","Cytochrome P450",Bromodomain,"Lysine demethylase","SLC superfamily of solute carriers","Small molecule receptor (family A
 GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 2","Jumonji domain-containing","SLC06 neurotransmitter transporter family","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 family
 3A","Monoamine receptor","Cytochrome P450 family 2D","Adenosine receptor","Cytochrome P450 3A4","Histamine receptor","Cytochrome P450 2D6","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Chromatin modifying enzymes","SLC superfamily of solute carriers","G protein-coupled receptors","Cytochrome P450","1.14.11.- Histone demethylases","SLC6 neurotransmitt
er transporter family","Adenosine receptors","CYP3 family","Histamine receptors","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","Monoamine transporter subfamily"}

> <pathway_reactome>
{Metabolism,"Developmental Biology",Disease,"Immune System","Neuronal System","Signal Transduction",Hemostasis,"Cell Cycle","Biological oxidations","Nervous system development","Disorders of transmemb
rane transporters","Cytokine Signaling in Immune system","Metabolism of amino acids and derivatives","Transmission across Chemical Synapses","Signaling by GPCR","Metabolism of lipids","Platelet activa
tion","signaling and aggregation","Cell Cycle Checkpoints",Mitotic,"Phase II - Conjugation of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","SLC transporter disorders","S
ignaling by Interleukins","Branched-chain amino acid catabolism","Neurotransmitter clearance","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Platelet Aggregation (P
lug Formation)","Phase I - Functionalization of compounds","G1/S DNA Damage Checkpoints","M Phase","Cytosolic sulfonation of small molecules","Defective SLC6A2 causes orthostatic intolerance (OI)","In
terleukin-1 family signaling","Serotonin clearance from the synaptic cleft","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","p5
3-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Interleukin-1 signaling","Nucleotide-like (purinergic) recep
tors","Biosynthesis of maresins","Amine ligand-binding receptors",Xenobiotics,"p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Adenosine P1 recep
tors","Biosynthesis of maresin-like SPMs","Histamine receptors","CYP2E1 reactions","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Autodegradation of th
e E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SLC6A2,SLC6A4}

> <broad_moa>
{"tricyclic antidepressant"}

> <synonyms>
{"Protriptyline hydrochloride",1225-55-4,1225554,Maximed,Vivactil,"Protriptyline (hydrochloride)",Concordin,Triptyl,"Triptil hydrochloride","Normethyl EX4442",MK-240,MK240,UNII-44665V00O8,UNII44665V00
O8,MLS000069697,Triptil,Vivactyl,"Protriptyline HCl",SM,1505984,Prestw-930,"PROTRYPTYLINE HYDROCHLORIDE"}

> <pdid>
PD010089

> <targets>
{AChE}

> <classes>
{antidepressant,Neuronal Signaling}

> <pubchem_cids>
{6603149,657385,14667}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  0  0            999 V2000
    5.1894   -6.0108    0.0000 C   0  0
    3.8917   -5.2586    0.0000 N   0  0
    2.5915   -6.0067    0.0000 C   0  0
    3.8934   -3.7577    0.0000 C   0  0
    2.5949   -3.0050    0.0000 C   0  0
    2.5966   -1.5042    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    5.1956   -1.5125    0.0000 N   0  0
   10.3023   -0.3804    0.0000 O   0  0
   10.3023   -1.8804    0.0000 C   0  0
    9.0030   -2.6300    0.0000 O   0  0
   11.6023   -2.6304    0.0000 C   0  0
   12.9023   -1.8804    0.0000 C   0  0
   12.9037   -0.3796    0.0000 C   0  0
   11.6051    0.3712    0.0000 O   0  0
   14.2030    0.3700    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
  6 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11211

> <plate>
PLATE 004

> <well>
B11

> <supplier_cmpd_name>
Brompheniramine hydrogen maleate

> <ctcr_id>
952

> <supplier_cmpd_id>
T0205

> <smiles>
CN(C)CCC(c1ccc(Br)cc1)c2ccccn2.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Brompheniramine maleate",980-71-2,980712,"Brompheniramine hydrogen maleate","Parabromdylamine maleate",Veltane,Dimetane-ten,Dimetaneten,"Brompheniramine (maleate)",Lodrane,"980-71-2 (maleate)","9807
12 (maleate)","Brompheniramine maleate (USP)","Dimetapp Allergy",MLS,S2585,1505530,1503985,Prestw-475,"DEXCHLORPHENIRAMINE MALEATE","BROMPHENIRAMINE MALEATE"}

> <pdid>

> <targets>
{"Histamine Receptor"}

> <classes>
{antihistamine,"H1 antihistamine","Neuronal Signaling"}

> <pubchem_cids>
{5281067}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 33  0  0  1  0            999 V2000
    9.8823   -2.2456    0.0000 Na  0  3
    7.3823   -2.2456    0.0000 Na  0  3
    2.2090   -0.3353    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    2.2500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  1  0  0  0
    2.7095   -0.7710    0.0000 O   0  0
    3.4182   -2.8395    0.0000 C   0  0
    4.8815   -2.5100    0.0000 O   0  0
    2.9720   -4.2725    0.0000 C   0  0
    3.9893   -5.3760    0.0000 O   0  0
    3.5431   -6.8090    0.0000 P   0  0
    2.0798   -7.1384    0.0000 O   0  5
    3.0965   -8.2409    0.0000 O   0  5
    4.5598   -7.9119    0.0000 O   0  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 17 18  1  0
 18  8  1  0
 18 12  1  0
 18 19  1  1
  9 20  1  0
 20  4  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23  4  1  0
 23 24  1  6
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  2  0
M  CHG  4   1   1   2   1  30  -1  31  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11212

> <plate>
PLATE 004

> <well>
C2

> <supplier_cmpd_name>
Prednisolone phosphate sodium

> <ctcr_id>
4868

> <supplier_cmpd_id>
T0208

> <smiles>
[Na+].[Na+].C[C@]12C[C@H](O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)CO[P]([O-])([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"prednisolone sodium phosphate",125-02-0,125020,HMS3264J09,AKOS015962823,AC-2371,AC2371,CCG-213527,CCG213527,T0208,1505712,"Prednisolone phosphate sodium","PREDNISOLONE SODIUM PHOSPHATE"}

> <pdid>

> <targets>
{}

> <classes>
{glucocorticoid,antiinflammatory}

> <pubchem_cids>
{45357933,45006142}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 37  0  0  0  0            999 V2000
   12.7943   -3.0140    0.0000 H   0  3
   10.2943   -3.0140    0.0000 Cl  0  5
    6.4876   -5.2643    0.0000 C   0  0
    6.4912   -3.7643    0.0000 N   0  0
    7.7922   -3.0178    0.0000 C   0  0
    5.1937   -3.0100    0.0000 C   0  0
    4.3263   -3.5077    0.0000 O   0  0
    5.1972   -1.5092    0.0000 C   0  0
    3.8990   -0.7562    0.0000 C   0  0
    3.9012    0.7447    0.0000 C   0  0
    2.6029    1.4977    0.0000 N   0  0
    1.3008    0.7531    0.0000 C   0  0
    0.0049    1.5084    0.0000 C   0  0
    0.0110    3.0084    0.0000 C   0  0
   -1.2731    2.2332    0.0000 O   0  0
    1.3132    3.7531    0.0000 C   0  0
    2.6091    2.9977    0.0000 C   0  0
    0.0519    4.4885    0.0000 C   0  0
    1.3711    5.2023    0.0000 C   0  0
    1.4125    6.7018    0.0000 C   0  0
    0.1347    7.4873    0.0000 C   0  0
    0.1761    8.9868    0.0000 Cl  0  0
   -1.1846    6.7735    0.0000 C   0  0
   -1.2259    5.2740    0.0000 C   0  0
    6.4990   -0.7623    0.0000 C   0  0
    7.7960   -1.5158    0.0000 C   0  0
    9.0971   -0.7693    0.0000 C   0  0
    9.1011    0.7307    0.0000 C   0  0
    7.8041    1.4842    0.0000 C   0  0
    6.5030    0.7377    0.0000 C   0  0
    3.8959   -2.2567    0.0000 C   0  0
    3.8926   -3.7567    0.0000 C   0  0
    2.5919   -4.5039    0.0000 C   0  0
    1.2945   -3.7510    0.0000 C   0  0
    1.2978   -2.2510    0.0000 C   0  0
    2.5985   -1.5039    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 11  1  0
 14 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
  8 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
  8 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11213

> <plate>
PLATE 004

> <well>
C3

> <supplier_cmpd_name>
Loperamide hydrochloride

> <ctcr_id>
1861

> <supplier_cmpd_id>
T0209

> <smiles>
[H+].[Cl-].CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4

> <pd_targets>
{TSHR,THPO,ADRA1B,ABCB11,CES2,KMT2A,MEN1,HTT,ALOX15,CYP2D6,ALOX12,CHRM1,ADRA1A,OPRD1,CALM,CYP3A4,OPRM1,SLC22A1,TEK,LMNA,REP,OPRK1,CYP1A2,CACNA1C,SCN1A,SCN2A,SCN3A,RORC,TP53,FTL,PMP22,BLM,NPSR1,NFO,GMN
N,ADRB2,DRD3,MTOR,SIGMAR1,SCN5A,HTR2B,KCNH2,SLC6A4,HRH2,ABCB1,POMC,CALM1}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein",Transporter,Enzyme,"Epigenetic regulator","Other nuclear protein","Ion channel","Transcription factor","Family A G protein-coupled receptor","Primary active
 transporter",Hydrolase,Reader,Oxidoreductase,"Cytochrome P450","Electrochemical transporter",Kinase,Transferase,"Voltage-gated ion channel","Nuclear receptor","Peptide receptor (family A GPCR)","Smal
l molecule receptor (family A GPCR)","ATP-binding cassette",Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 3","SLC superfamily of solute carriers","Protein Kinase","Cytochrome P450 fam
ily 1","Voltage-gated calcium channel","Voltage-gated sodium channel","Nuclear hormone receptor subfamily 1","Potassium channels","Glycohormone receptor","Monoamine receptor","ABCB subfamily","Cytochr
ome P450 family 2D","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","SLC22 family of organic cation and anion transporters","TK protein kinase group","Cytochrome P450 family 1A","
Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","Voltage-gated potassium channel","SLC06 neurotransmitter transporter family","Adrenergic receptor","Cytochrome P450 2D6",
"Acetylcholine receptor","Opioid receptor","Cytochrome P450 3A4","Tyrosine protein kinase Tie family","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3","Neuropeptide recept
or","Dopamine receptor","Atypical protein kinase PIKK family","Serotonin receptor","Histamine receptor","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Other protein targets","Ion channels","G protein-coupled receptors","ATP-binding cassette transporter family","Eicosanoid turnover","Cytochrome P450","SLC superfamily 
of solute carriers","Catalytic receptors","Anti-infective targets","Voltage-gated ion channels","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Sigma receptors","Glycoprotein hormone receptors",Ad
renoceptors,"ABCB subfamily",Lipoxygenases,"CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","Opioid receptors","CYP3 family","SLC22 family of organic cation and anion tra
nsporters","Receptor kinases","Viral protein targets","CYP1 family","Voltage-gated calcium channels","1F. Retinoic acid-related orphans","Neuropeptide S receptor","Dopamine receptors",Atypical,"Voltag
e-gated sodium channels","5-Hydroxytryptamine receptors","Potassium channels","SLC6 neurotransmitter transporter family","Histamine receptors","Organic cation transporters (OCT)","TK: Tyrosine kinase"
,"Coronavirus (CoV) proteins","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium channels","Monoamine transporter subfamily","Receptor tyrosine kinases (RTKs)","F
RAP subfamily","Type XII RTKs: TIE family of angiopoietin receptors"}

> <pathway_reactome>
{Disease,Hemostasis,"Signal Transduction",Metabolism,"Gene expression (Transcription)","Transport of small molecules","Cell Cycle","Developmental Biology","Vesicle-mediated transport","DNA Repair","Mu
scle contraction","Neuronal System","Infectious disease","Platelet activation","signaling and aggregation","Signaling by GPCR","Metabolism of lipids","Biological oxidations","RNA Polymerase II Transcr
iption","SLC-mediated transmembrane transport","MAPK family signaling cascades",Mitotic,"Nervous system development","Cell Cycle Checkpoints","Membrane Trafficking","DNA Double-Strand Break Repair","C
ardiac conduction","Transmission across Chemical Synapses","Abacavir transport and metabolism","Leishmania infection","Platelet Aggregation (Plug Formation)","GPCR ligand binding","Metabolism of stero
ids","Phase I - Functionalization of compounds","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Transport of bile salts and or
ganic acids","metal ions and amine compounds","MAPK1/MAPK3 signaling","M Phase","SARS-CoV Infections","Axon guidance","G1/S DNA Damage Checkpoints","trans-Golgi Network Vesicle Budding","EGR2 and SOX1
0-mediated initiation of Schwann cell myelination","Homology Directed Repair","Mitotic G1 phase and G1/S transition","Phase 3 - rapid repolarisation","Neurotransmitter clearance","Abacavir transmembra
ne transport","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","T
ranscriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","G alpha (i) signalling events","Organic cation
/anion/zwitterion transport","RAF/MAP kinase cascade","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","Mitotic Metaphase and Anaphase","SARS-CoV-2 Infection","NCAM signaling for neurite o
ut-growth","SARS-CoV-1 Infection","Transcriptional regulation by RUNX3","p53-Dependent G1/S DNA damage checkpoint","Golgi Associated Vesicle Biogenesis","HDR through Homologous Recombination (HRR) or 
Single Strand Annealing (SSA)","G1/S Transition","Transcriptional Regulation by TP53","Potential therapeutics for SARS","L1CAM interactions","Serotonin clearance from the synaptic cleft","Activation o
f NMDA receptors and postsynaptic events","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Synthesis of bile acids and bile salts","Regulation of 
MECP2 expression and activity","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Peptide ligand-binding receptors","Biosynthesis of maresins","Opioid Signalling","Organic cation transport","SMAD2/SMAD3:SMAD4
 heterotrimer regulates transcription","Mitotic Anaphase","SARS-CoV-2 Genome Replication and Transcription","MECP2 regulates neuronal receptors and channels","NCAM1 interactions","SARS-CoV-1 Genome Re
plication and Transcription","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1 DNA Damage Response","HDR through Homologous Recombination (HRR)","Activation of the pre-replicative
 complex","Regulation of TP53 Activity","Interaction between L1 and Ankyrins","Post NMDA receptor activation events","ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors,"Synthesis 
of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of DPAn-3-derived protectins and resolvins","CYP2E1 reactions","Biosynthesis of DPAn-3-derived maresins","Muscarinic acetylcho
line receptors","Biosynthesis of maresin-like SPMs","G-protein activation","Nuclear Envelope (NE) Reassembly","Replication of the SARS-CoV-2 genome","Aromatic amines can be N-hydroxylated or N-dealkyl
ated by CYP1A2","Replication of the SARS-CoV-1 genome","Stabilization of p53","Homologous DNA Pairing and Strand Exchange","Dopamine receptors","Regulation of TP53 Expression and Degradation","Seroton
in receptors","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Pr
esynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{CACNA1A,CALM1,OPRD1,OPRK1,OPRM1,POMC}

> <broad_moa>
{"opioid receptor agonist"}

> <synonyms>
{"Loperamide hydrochloride",34552-83-5,34552835,"Loperamide HCl",Imodium,Suprasec,Fortasec,"Imodium A-D","Imodium AD","Loperamide (hydrochloride)",UNII-77TI35393C,UNII77TI35393C,"Maalox Anti-Diarrheal
","Maalox AntiDiarrheal",MLS000069779,CHEBI:6533,MFCD00058581,77TI35393C,NSC-696356,NSC696356,Dissenten,Lopemid,Lopemin,T0209,S2480,SAM002564218,Prestw-144,CPD000058466}

> <pdid>
PD009698

> <targets>
{"Opioid Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{71420,57516049,43833345}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 29  0  0  1  0            999 V2000
    7.7003   -6.7493    0.0000 Cl  0  0
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 N   0  0
   -2.6109   -7.4996    0.0000 C   0  0  2  0  0  0
   -1.3132   -8.2519    0.0000 C   0  0
   -3.9117   -8.2482    0.0000 C   0  0
   -3.9148   -9.7490    0.0000 C   0  0
   -5.2138  -10.4991    0.0000 C   0  0
   -5.2139  -11.9991    0.0000 C   0  0
   -3.9148  -12.7491    0.0000 C   0  0
   -3.9118  -14.2499    0.0000 O   0  0
   -2.6117  -14.9981    0.0000 C   0  0
   -2.6158  -11.9991    0.0000 C   0  0
   -2.6157  -10.4991    0.0000 C   0  0
   -6.5136  -12.7494    0.0000 S   0  0
   -7.8131  -12.0002    0.0000 O   0  0
   -6.5132  -14.2494    0.0000 O   0  0
   -7.8123  -13.5000    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  2  0
 25 18  1  0
 20 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11214

> <plate>
PLATE 004

> <well>
C4

> <supplier_cmpd_name>
Tamsulosin hydrochloride

> <ctcr_id>
10958

> <supplier_cmpd_id>
T0210

> <smiles>
Cl.CCOc1ccccc1OCCN[C@H](C)Cc1cc(c(OC)cc1)S(=O)(=O)N

> <pd_targets>
{HTR7,ADRA1A,ADRA1B,DRD2,ADRA1D,ADRA2B,ADRA2C,HTR1A,DRD3,ADRA2A,HTR1B,HTR1D,HTR1F}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Serotonin receptor","Adrenergic receptor","Dopamine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","5-Hydroxytryptamine receptors",Adrenoceptors,"Dopamine receptors"}

> <pathway_reactome>
{Disease,"Signal Transduction","Infectious disease","Signaling by GPCR","Leishmania infection","GPCR ligand binding","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","A
nti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors,"Dopamine receptors","Seroto
nin receptors"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{"TAMSULOSIN HYDROCHLORIDE",106463-17-6,106463176,Flomax,Omnic,Pradif,"Tamsulosin HCl",Urolosin,Secotex,Josir,Alna,Omic,Omix,Harnal,"Amsulosin hydrochloride",LY253351,"Tamsulosin (hydrochloride)",YM61
7,"YM 617",UNII-11SV1951MR,UNII11SV1951MR,R-(-)-YM-126,R()YM126,T0210,"Tamsulosin hydrochloride"}

> <pdid>
PD010069

> <targets>
{"¦Á1A-adrenergic receptor","¦Á1B-adrenergic receptor","¦Á1D-adrenergic receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{5362376}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 28  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 S   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5923   -4.5039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.1253   -4.3743    0.0000 N   0  0
   -6.5929   -4.6844    0.0000 C   0  0
   -4.1233   -5.4906    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.6933   -0.1206    0.0000 O   0  0
    7.6933   -1.6206    0.0000 C   0  0
    6.3940   -2.3702    0.0000 O   0  0
    8.9933   -2.3706    0.0000 C   0  0
   10.2933   -1.6206    0.0000 C   0  0
   11.5933   -2.3706    0.0000 C   0  0
   11.5933   -3.8706    0.0000 O   0  0
   12.8926   -1.6210    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 13 19  1  0
 19 10  1  0
 19 20  2  0
 20  7  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11215

> <plate>
PLATE 004

> <well>
C5

> <supplier_cmpd_name>
Sumatriptan succinate

> <ctcr_id>
1770

> <supplier_cmpd_id>
T0203

> <smiles>
CN[S](=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.OC(=O)CCC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"SUMATRIPTAN SUCCINATE",103628-48-4,103628484,Imitrex,Imigran,Suminat,"Sumavel DosePro",Alsuma,"Sumatriptan (succinate)","GR 43175C",UNII-J8BDZ68989,UNIIJ8BDZ68989,MFCD00902856,"GR 43175","sumatripta
n hydrogen succinate",C18H27N3O6S,CHEBI:64359,J8BDZ68989,"103628-48-4 (succ","103628484 (succ",T0203,S1432,SAM001246579,Prestw-1346,"Sumatriptan succinate","Sumatriptan Succinate",CPD000469158}

> <pdid>

> <targets>
{"5-HT Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{59772}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -3.9069    5.2492    0.0000 C   0  0
   -5.2089    5.9957    0.0000 C   0  0
   -5.2144    7.4965    0.0000 C   0  0
   -6.5164    8.2430    0.0000 C   0  0
   -6.5219    9.7438    0.0000 C   0  0
   -7.8239   10.4903    0.0000 C   0  0
   -7.8294   11.9911    0.0000 C   0  0
   -9.1307   12.7372    0.0000 O   0  0
   -6.5329   12.7454    0.0000 O   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
 10  2  1  0
 10 11  2  0
  7 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 14 24  2  0
 24 25  1  0
 25 26  2  0
 26 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11216

> <plate>
PLATE 004

> <well>
C6

> <supplier_cmpd_name>
Seratrodast

> <ctcr_id>
10959

> <supplier_cmpd_id>
T0212

> <smiles>
CC1=C(C)C(=O)C(=C(C)C1=O)c1cc(CCCCCCC(=O)O)ccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{2320856-63-9,2320856639,AKOS015950828,ZINC100084544,T0212,Seratrodast}

> <pdid>
PD055214

> <targets>
{COX,TXA2R}

> <classes>
{Immunology/Inflammation,Metabolism,Neuroscience}

> <pubchem_cids>
{51346749}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    4.4991   -8.4771    0.0000 O   0  0
    3.8490   -7.1253    0.0000 C   0  0
    2.3532   -7.0124    0.0000 C   0  0
    1.7031   -5.6606    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 O   0  0
    4.0445   -4.5346    0.0000 C   0  0
    4.8897   -3.2954    0.0000 O   0  0
    4.6946   -5.8864    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15  6  1  0
 15 16  2  0
  5 17  1  0
 17 18  2  0
 17 19  1  0
 19  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11217

> <plate>
PLATE 004

> <well>
C7

> <supplier_cmpd_name>
Thalidomide

> <ctcr_id>
857

> <supplier_cmpd_id>
T0213

> <smiles>
O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1

> <pd_targets>
{CRBN,PTGS1,PTGS2,ALDH1A1,CUL4A,DDB1,RBX1,TNF,NFKB1,FGFR2,ORM1,ORM2,TSHR,TDP1,CYP1A2,AMPC}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Secreted protein","Other cytosolic protein","Membrane receptor",Oxidoreductase,Kinase,"Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450","Protein Kinase"
,"Peptide receptor (family A GPCR)","Cytochrome P450 family 1","TK protein kinase group","Glycohormone receptor","Cytochrome P450 family 1A","Tyrosine protein kinase FGFR family","Cytochrome P450 1A1"
}

> <pathway_chembl>
{Enzymes,Receptors,"E3 ubiquitin ligase components","Eicosanoid turnover","Catalytic receptors","G protein-coupled receptors","Cytochrome P450",Cyclooxygenase,"Receptor kinases","Glycoprotein hormone 
receptors","CYP1 family","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{Disease,Metabolism,"Immune System","DNA Repair","Infectious disease","Metabolism of lipids","Biological oxidations","Cytokine Signaling in Immune system","Diseases of signal transduction by growth fa
ctor receptors and second messengers","DNA Double-Strand Break Repair","SARS-CoV Infections","Fatty acid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionaliz
ation of compounds","Signaling by Interleukins","Signaling by FGFR in disease","Leishmania infection","Nonhomologous End-Joining (NHEJ)","Potential therapeutics for SARS","Arachidonic acid metabolism"
,"Biosynthesis of DPA-derived SPMs","Ethanol oxidation","Interleukin-10 signaling","Interleukin-1 family signaling","Signaling by FGFR2 in disease","Leishmania parasite growth and survival","Cytochrom
e P450 - arranged by substrate type","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of DPAn-3 SPMs","Interleukin-1 signaling","FGFR2 mutant receptor activation","Anti-inflammat
ory response favouring Leishmania parasite infection",Xenobiotics,"MAP3K8 (TPL2)-dependent MAPK1/3 activation","Activated point mutants of FGFR2","ADORA2B mediated anti-inflammatory cytokines producti
on","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{TNF}

> <broad_moa>
{"tumor necrosis factor production inhibitor"}

> <synonyms>
{thalidomide,50-35-1,50351,Thalomid,"2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione","2(2,6dioxopiperidin3yl)isoindoline1,3dione",Sedoval,(+/-)-THALIDOMIDE,(+/)THALIDOMIDE,Corronarobetin,Psycholiqui
d,Psychotablets,Theophilcholine,Algosediv,Asmadion,Bonbrain,Calmorex,Contergan,Distaval,Ectiluran,Enterosediv,T0213,66847,S1193,SAM002564245,1503607,Prestw-192,"NSC 66847",Thalidomide,CPD000058524,THA
LIDOMIDE}

> <pdid>
PD000977

> <targets>
{Apoptosis,Autophagy,Ligand for E3 Ligase}

> <classes>
{hypnotic,immunomodulatory agent,Apoptosis,Autophagy,PROTAC}

> <pubchem_cids>
{5426}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
  -10.3875   -1.5257    0.0000 C   0  0
  -10.3802   -3.0265    0.0000 C   0  0
   -9.1607   -3.8779    0.0000 S   0  0
   -9.6143   -5.3077    0.0000 C   0  0
   -8.7243   -6.5151    0.0000 O   0  0
  -11.1143   -5.3181    0.0000 N   0  0
  -11.5877   -3.8947    0.0000 C   0  0
  -13.0148   -3.4326    0.0000 O   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 15  1  0
 20 21  2  0
 13 22  1  0
 22 23  2  0
 23 10  1  0
  6 24  1  0
 24 25  2  0
 25  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11218

> <plate>
PLATE 004

> <well>
C8

> <supplier_cmpd_name>
Pioglitazone

> <ctcr_id>
2804

> <supplier_cmpd_id>
T0214

> <smiles>
CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1

> <pd_targets>
{FABI,ABCB11,PPARA,CISD2,PPARG,CISD1,MAOB,ALDH1A1,AKR1B1,CYP3A4,ABCC4,MAOA,CA2,RXRA,TRPM3}

> <pathway_gtopdb>
{Enzyme,Transporter,"Transcription factor","Unclassified protein",Oxidoreductase,"Primary active transporter","Nuclear receptor","Cytochrome P450",Lyase,"ATP-binding cassette","Nuclear hormone recepto
r subfamily 1","Cytochrome P450 family 3","ABCB subfamily","Nuclear hormone receptor subfamily 1 group C","Cytochrome P450 family 3A","ABCC subfamily","Nuclear hormone receptor subfamily 1 group C mem
ber 1","Nuclear hormone receptor subfamily 1 group C member 3","Cytochrome P450 3A4"}

> <pathway_chembl>
{Transporters,Receptors,Enzymes,"Ion channels","ATP-binding cassette transporter family","Nuclear hormone receptors","Catecholamine turnover","1.-.-.- Oxidoreductases","Cytochrome P450","Carbonic anhy
drases","Voltage-gated ion channels","ABCB subfamily","1C. Peroxisome proliferator-activated receptors","CYP3 family","ABCC subfamily","Transient Receptor Potential channels"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)",Hemostasis,"Transport of small molecules","Metabolism of lipids","RNA Polymerase II Transcription","Biological oxidations","Platelet activation","signalin
g and aggregation","O2/CO2 exchange in erythrocytes","Ion channel transport","Metabolism of steroids","Generic Transcription Pathway","Phase I - Functionalization of compounds","Biosynthesis of specia
lized proresolving mediators (SPMs)","Response to elevated platelet cytosolic Ca2+","Erythrocytes take up carbon dioxide and release oxygen","Stimuli-sensing channels","Bile acid and bile salt metabol
ism","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional Regulation by MECP2","Amine Oxidase reactions","Ethanol oxidation","Metabolism of steroid hormones","Biosynthesis of DHA
-derived SPMs","Platelet degranulation","TRP channels","Synthesis of bile acids and bile salts","Activation of gene expression by SREBF (SREBP)","MECP2 regulates transcription factors","Biogenic amine
s are oxidatively deaminated to aldehydes by MAOA and MAOB","Pregnenolone biosynthesis","Biosynthesis of maresins","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis 
of maresin-like SPMs"}

> <broad_targets>
{PPARG,TRPM3}

> <broad_moa>
{"insulin sensitizer","PPAR receptor agonist"}

> <synonyms>
{RESTW131,Pioglitazone,111025-46-8,111025468,Actos,105355-27-9,105355279,Pioglitazona,Pioglitazonum,Glustin,"Pioglitazonum (INN-Latin)","Pioglitazonum (INNLatin)","Pioglitazona (INN-Spanish)","Pioglit
azona (INNSpanish)","5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)thiazolidine-2,4-dione","5(4(2(5ethylpyridin2yl)ethoxy)benzyl)thiazolidine2,4dione",Zactos,Duetact,"U 72107",AD-4833,AD4833,Pioglit,T021
4,S2590,Prestw-1314,Pioglitazone}

> <pdid>
PD009788

> <targets>
{Ferroptosis,PPAR}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{4829}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
   -3.7146   -4.8930    0.0000 C   0  0
   -2.5902   -3.9002    0.0000 C   0  0
   -1.1671   -4.3770    0.0000 C   0  0
   -0.0420   -3.3837    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
    1.8372   -5.2877    0.0000 N   0  0
    3.3372   -5.2929    0.0000 C   0  0
    4.2146   -6.5095    0.0000 Cl  0  0
    3.8056   -3.8679    0.0000 C   0  0
    5.2276   -3.3960    0.0000 C   0  0
    5.5311   -1.9271    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3027    3.7529    0.0000 C   0  0
    0.0506    3.1362    0.0000 N   0  0
    1.0508    4.2541    0.0000 N   0  0
    0.2966    5.5507    0.0000 N   0  0
   -1.1696    5.2342    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12  5  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11219

> <plate>
PLATE 004

> <well>
C9

> <supplier_cmpd_name>
Losartan potassium

> <ctcr_id>
493

> <supplier_cmpd_id>
T0215

> <smiles>
CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4

> <pd_targets>
{CYP3A4,PDE4A,PDE4B,PDE4C,PDE4D,ADRA1A,ADRA1B,ADRA1D,AGTR1B,AGTR1,AGTR2,AMPC,PDE3A,PDE3B,ACE,ALD,GP6,AGTR1A,ABCB11,ABCC4,SLCO1B3,SLCO1B1,CYP2C9}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Adhesion,Transporter,"Cytochrome P450",Phosphodiesterase,"Family A G protein-coupled receptor",Hydrolase,Protease,"Primary active transporter","Electrochemical transporter"
,"Cytochrome P450 family 3","Phosphodiesterase 4","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Phosphodiesterase 3","Metallo protease","ATP-binding cassette","Cysteine
 protease","SLC superfamily of solute carriers","Cytochrome P450 family 2","Cytochrome P450 family 3A","Phosphodiesterase 4A","Monoamine receptor","Short peptide receptor (family A GPCR)","Phosphodies
terase 3A","Metallo protease MAE clan","ABCB subfamily","Cysteine protease CA clan","ABCC subfamily","SLC21/SLCO family of organic anion transporting polypeptides","Cytochrome P450 family 2C","Cytochr
ome P450 3A4","Adrenergic receptor","Angiotensin receptor","Metallo protease M2 family","Cysteine protease C1A family","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","G protein-coupled receptors","Peptidases and proteinases","ATP-binding cassette transporter family","SLC superfamily of solute carriers","CYP3 family
","Angiotensin receptors","MA: Metallo (M) Peptidases","ABCB subfamily","ABCC subfamily","SLCO family of organic anion transporting polypeptides","CYP2 family: drug metabolising subset","M2: Angiotens
in-converting  (ACE and ACE2)"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Signal Transduction",Hemostasis,"Metabolism of lipids","Peptide hormone metabolism","Signaling by GPCR","Platelet activation","signaling and aggregation","Biologi
cal oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of Angiotensinogen to Angiotensins","GPCR ligand binding","GPVI-mediated activation cascade","Metabolism of ster
oids","Response to elevated platelet cytosolic Ca2+","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metab
olism","Platelet degranulation","Cytochrome P450 - arranged by substrate type","Biosynthesis of maresins","Peptide ligand-binding receptors","Synthesis of bile acids and bile salts","Recycling of bile
 acids and salts",Xenobiotics,"Biosynthesis of maresin-like SPMs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{114798-26-4,114798264,"DUP 89",Lortaan,Cozaar,"LOSARTAN POTASSIUM",Hyzaar,UNII-JMS50MPO89,UNIIJMS50MPO89,CHEBI:6541,MK-954,MK954,JMS50MPO89,DTXSID7023227,"DuP 753",MFCD00865831,NCGC00095125-01,NCGC00
09512501,"Losartan (INN:BAN)",DSSTox_CID_3227,DSSToxCID3227,DSSTox-CID-3227,"DSSTox CID 3227",DSSTox_RID_76933,DSSToxRID76933,DSSTox-RID-76933,"DSSTox RID 76933",DSSTox_GSID_23227,DSSToxGSID23227,DSST
ox-GSID-23227,"DSSTox GSID 23227",C22,1504268,Prestw-1433,LOSARTAN,Losartan}

> <pdid>
PD001204

> <targets>
{}

> <classes>
{antihypertensive,"AT1 angiotensin II antagonist"}

> <pubchem_cids>
{3961}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    7.4133   -2.4605    0.0000 H   0  3
    4.9133   -2.4605    0.0000 Br  0  5
   -2.6079   -6.7003    0.0000 C   0  0
   -1.1079   -6.7042    0.0000 N   0  0
   -0.2222   -7.9149    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    1.1979   -5.9466    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 S   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -3.9027    2.2457    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4969   -0.7591    0.0000 C   0  0
   -7.7948   -1.5109    0.0000 C   0  0
   -9.0949   -0.7628    0.0000 C   0  0
   -9.0971    0.7372    0.0000 C   0  0
   -7.7991    1.4891    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 16 28  1  0
 28 29  2  0
 29 10  1  0
 29 13  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11220

> <plate>
PLATE 004

> <well>
C10

> <supplier_cmpd_name>
Eletriptan HBr

> <ctcr_id>
3320

> <supplier_cmpd_id>
T0216

> <smiles>
[H+].[Br-].CN1CCCC1Cc2c[nH]c3ccc(CC[S](=O)(=O)c4ccccc4)cc23

> <pd_targets>
{HTR1B,HTR1D,HTR1F,HTR1E,HTR1A}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Serotonin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Serotonin receptors"}

> <broad_targets>
{HTR1A,HTR1B,HTR1D,HTR1E,HTR1F,HTR2B,HTR7}

> <broad_moa>
{"serotonin receptor agonist"}

> <synonyms>
{SCHEMBL4233264,AK-44917,AK44917,"AK 44917",FT-0674339,FT0674339,"FT 0674339",AKOS026749831,T0216,S3180,"Eletriptan HBr"}

> <pdid>
PD010168

> <targets>
{"5-HT Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{156849,77221796}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    6.4451   -1.8434    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 O   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 C   0  0
    5.5233    4.9032    0.0000 S   0  0
    6.9808    5.2579    0.0000 N   0  0
    4.4877    5.9884    0.0000 O   0  0
    5.9451    6.3427    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  5 12  1  0
 12  2  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11221

> <plate>
PLATE 004

> <well>
C11

> <supplier_cmpd_name>
Valdecoxib

> <ctcr_id>
222

> <supplier_cmpd_id>
T0219

> <smiles>
Cc1onc(c2ccccc2)c1c3ccc(cc3)[S](N)(=O)=O

> <pd_targets>
{CA1,CA9,NCE103,PTGS1,CA2,PTGS2,CA4,CA12,MT-CO2,LMNA,RAB2A,RAC1,CA5B,CA13,MTCA2,CA3,CA6,CYP3A4,MTCA1,CDC42,CA7,CA5A,1272966,CA15,MT-CO1,RAB7A,CA14,SLC6A2}

> <pathway_gtopdb>
{Enzyme,Transporter,"Other nuclear protein",Lyase,Oxidoreductase,"Primary active transporter",Hydrolase,"Cytochrome P450","Electrochemical transporter","Oxidoreduction-driven transporters","Cytochrome
 P450 family 3","SLC superfamily of solute carriers","Cytochrome P450 family 3A","SLC06 neurotransmitter transporter family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,"Carbonic anhydrases","Eicosanoid turnover","Cytochrome P450","SLC superfamily of solute carriers",Cyclooxygenase,"CYP3 family","SLC6 neurotransmitter transporter family","Monoam
ine transporter subfamily"}

> <pathway_reactome>
{"Immune System","Cellular responses to external stimuli",Metabolism,"Transport of small molecules","Gene expression (Transcription)","Cell Cycle","Developmental Biology",Disease,"Cytokine Signaling i
n Immune system","Cellular responses to stress","Metabolism of lipids","O2/CO2 exchange in erythrocytes","Reversible hydration of carbon dioxide","RNA Polymerase II Transcription",Mitotic,"Nervous sys
tem development","Infectious disease","Disorders of transmembrane transporters","Signaling by Interleukins","Cellular response to hypoxia","Fatty acid metabolism","Erythrocytes take up carbon dioxide 
and release oxygen","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","M Phase","Axon guidance","Leishmania infection","Infection with Mycobacterium tuberculo
sis","SLC transporter disorders","Interleukin-12 family signaling","Regulation of gene expression by Hypoxia-inducible Factor","Arachidonic acid metabolism","Biosynthesis of DPA-derived SPMs","Transcr
iptional Regulation by TP53","Mitotic Metaphase and Anaphase","Mitotic Prophase","Semaphorin interactions","Biosynthesis of DHA-derived SPMs","Parasite infection","Response of Mtb to phagocytosis","De
fective SLC6A2 causes orthostatic intolerance (OI)","Interleukin-12 signaling","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Metabolic Genes","
Mitotic Anaphase","Golgi Cisternae Pericentriolar Stack Reorganization","Sema4D in semaphorin signaling","Biosynthesis of maresins","Leishmania phagocytosis","Suppression of phagosomal maturation","Ge
ne and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Nuclear Envelope (NE) Reassembly","Sema4D mediated inhibition of cell attachment and migration","Biosynthesis of mare
sin-like SPMs","FCGR3A-mediated phagocytosis","Prevention of phagosomal-lysosomal fusion","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CA12,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{HMS3372D12,HMS3393P07,HMS3652I04,HMS3715L18,Valdecoxib,181695-72-7,181695727,Bextra,4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide,4(5methyl3phenylisoxazol4yl)benzenesulfonamide,"SC 65872",SC-6
5872,SC65872,Valdyn,4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide,4(5Methyl3phenyl4isoxazolyl)benzenesulfonamide,Kudeq,Benzenesulfonamide,4-(5-methy,4(5methy,T0219,PZ0179,SAM001246603,1504302,v
aldecoxib,CPD000466327,VALDECOXIB}

> <pdid>
PD002956

> <targets>
{}

> <classes>
{"COX-2 inhibitor",antiinflammatory}

> <pubchem_cids>
{119607}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  8  0  0  0  0            999 V2000
    3.1202   -2.0921    0.0000 O   0  0
    1.6281   -2.2462    0.0000 C   0  0
    1.0161   -3.6157    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 S   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11222

> <plate>
PLATE 004

> <well>
D2

> <supplier_cmpd_name>
Thioproline

> <ctcr_id>
10960

> <supplier_cmpd_id>
T0221

> <smiles>
OC(=O)C1CSCN1

> <pd_targets>
{FFP}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{antioxidant}

> <synonyms>
{Timonacic,"Thiazolidine-4-carboxylic acid","Thiazolidine4carboxylic acid",444-27-9,444279,"1,3-Thiazolidine-4-carboxylic acid","1,3Thiazolidine4carboxylic acid",Detoxepa,"L-Thiazolidine-4-carboxylic 
acid","LThiazolidine4carboxylic acid",Hepalidine,"4-THIAZOLIDINECARBOXYLIC ACID","4THIAZOLIDINECARBOXYLIC ACID",Thioproline,Tiazolidin,Heparegene,Norgamem,Thiaproline,DL-Thiaproli,DLThiaproli,T0221}

> <pdid>
PD001001

> <targets>
{"Annexin A5"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{9934}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    3.2545   -3.2015    0.0000 C   0  0
    1.8050   -3.5876    0.0000 C   0  0
    1.4151   -5.0360    0.0000 O   0  0
    0.7500   -2.5287    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    2.6401    0.8578    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -0.7500   -2.5287    0.0000 C   0  0
   -1.8107   -3.5893    0.0000 O   0  0
   -2.6375    0.8602    0.0000 C   0  0
   -3.7540   -0.1415    0.0000 O   0  0
   -2.9472    2.3279    0.0000 O   0  0
   -0.0031    2.7742    0.0000 S   0  0
   -1.3040    3.5228    0.0000 C   0  0
   -1.4470    5.0031    0.0000 C   0  0
   -2.9153    5.3098    0.0000 N   0  0
   -3.6608    4.0082    0.0000 C   0  0
   -2.6532    2.8970    0.0000 C   0  0
   -5.1499    3.8433    0.0000 C   0  0
   -6.0380    5.0521    0.0000 O   0  0
   -5.7536    2.4692    0.0000 N   0  0
   -7.2445    2.3041    0.0000 C   0  0
   -4.8655    1.2603    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
 10  5  1  0
 10 11  1  0
 11  4  1  0
 11 12  2  0
  9 13  1  0
 13 14  1  0
 13 15  2  0
  8 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 17  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11223

> <plate>
PLATE 004

> <well>
D3

> <supplier_cmpd_name>
Meropenem

> <ctcr_id>
1492

> <supplier_cmpd_id>
T0224

> <smiles>
CC(O)C1C2C(C)C(=C(N2C1=O)C(O)=O)SC3CNC(C3)C(=O)N(C)C

> <pd_targets>
{SKA,BLAVIM-2,"BLA OXA-48",BLANDM-1,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,LEF}

> <pathway_gtopdb>
{Enzyme,Kinase,Hydrolase,Protease,"Serine protease","Metallo protease","Serine protease SE clan","Metallo protease MAE clan","Serine protease S11 family","Metallo protease M34 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Infectious disease","Uptake and actions of bacterial toxins","Uptake and function of anthrax toxins"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{"SM 7338 trihydrate",96036-03-2,96036032,"SM 7338",CHEMBL71929,HMS3393G08,HMS3654F21,s1381,STL484302,AKOS015894949,CCG-268443,CCG268443,NCGC00346518-01,NCGC0034651801,NCGC00346518-02,NCGC0034651802,A
B0202310,DB-014847,DB014847,FT-0630992,FT0630992,SW220227-1,SW2202271,AB01566815_01,AB0156681501,AB01566815-01,"AB01566815 01",STL454219,FT-0631096,FT0631096,T0224,S1381,Meropenem}

> <pdid>
PD001697

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3874387,59032340}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    7.5844   -1.4920    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.3882    2.1623    0.0000 C   0  0
    1.6774    3.4832    0.0000 C   0  0
    0.2015    3.2154    0.0000 S   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
   13.9852    1.5382    0.0000 O   0  0
   13.9852    0.0382    0.0000 C   0  0
   12.6852   -0.7118    0.0000 C   0  0
   11.3852    0.0382    0.0000 C   0  0
   11.3852    1.5382    0.0000 O   0  0
   10.0859   -0.7113    0.0000 O   0  0
   15.2851   -0.7118    0.0000 C   0  0
   15.2851   -2.2118    0.0000 O   0  0
   16.5844    0.0378    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13  9  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  8  1  0
 21 16  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 23 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11224

> <plate>
PLATE 004

> <well>
D4

> <supplier_cmpd_name>
Pizotifen Malate

> <ctcr_id>
5803

> <supplier_cmpd_id>
T0225

> <smiles>
CN1CCC(CC1)=C2c3ccsc3CCc4ccccc24.OC(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW99,"Pizotifen malate","Pizotyline malate",5189-11-7,5189117,"Pizotifen (malate)","Pizotifen hydrogen malate","5189-11-7 (malate)","5189117 (malate)",CHEBI:50213,"BC-105 (malate);Pizotyline (mala
te)","BC105 (malate);Pizotyline (malate)","Sandomigran (TN)",Sanomtgran,Mosegor,"Litec malate","Sandomigran malate",T0225,1505003,Prestw-992,"Pizotifen Malate","PIZOTYLINE MALATE"}

> <pdid>

> <targets>
{}

> <classes>
{antimigraine,"5HT antagonist"}

> <pubchem_cids>
{168993}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 23  0  0  0  0            999 V2000
   11.4855   -2.7614    0.0000 H   0  3
    8.9855   -2.7614    0.0000 Cl  0  5
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.2211    1.4430    0.0000 C   0  0
   -8.4711    2.7420    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 20  1  0
 15 23  1  0
 23 24  2  0
 24 12  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11225

> <plate>
PLATE 004

> <well>
D5

> <supplier_cmpd_name>
Betaxolol hydrochloride

> <ctcr_id>
6508

> <supplier_cmpd_id>
T0226

> <smiles>
[H+].[Cl-].CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1

> <pd_targets>
{ADRB1,ADRB3,ADRB2,BLM,LMNA,GAA,AMPC,CYP2D6,CYP1A2,CHRM1,CYP2C9,KMT2A,MEN1,LEF}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor",Enzyme,"Other nuclear protein","Epigenetic regulator",Hy
drolase,"Cytochrome P450",Reader,Protease,"Cytochrome P450 family 2","Cytochrome P450 family 1",Bromodomain,"Metallo protease","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 
family 2C","Metallo protease MAE clan","Cytochrome P450 2D6","Cytochrome P450 1A1","Acetylcholine receptor","Cytochrome P450 2C9","Metallo protease M34 family"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors,Enzymes,"3.2.1.- Glycosidases","Cytochrome P450","CYP2 family: drug metabolising subset","CYP1 family","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production","DNA Repair","Cell Cycle",Metabolism,"Signal Transduction","DNA Double-Strand Break Repair",Mitotic,"Diseases of metabolism","Biological oxidations","Signaling by GPCR","Homology
 Directed Repair","M Phase","Diseases of carbohydrate metabolism","Phase I - Functionalization of compounds","GPCR ligand binding","Uptake and actions of bacterial toxins","HDR through Homologous Reco
mbination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Glycogen storage diseases","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Up
take and function of anthrax toxins","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Glycogen storage disease type II (GAA)",Xenobiotics,"Amine ligand-binding receptors","Homologous D
NA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors","Presynapt
ic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRB1,ADRB2}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{"Betaxolol hydrochloride",63659-19-8,63659198,"Betaxolol HCL",Betoptima,Betoptic,Kerlone,Lokren,"Betaxolol (hydrochloride)","Betaxolo Hydrochloride","alo 1401-02","alo 140102","Betaxolol hydrochlorid
e (Betoptic)",MFCD00242959,SL75212,"Betoptic S",MLS0,S1827,SAM001247084,Prestw-382,S4085,Betaxolol,CPD000058420,"Levobetaxolol HCl"}

> <pdid>
PD008960

> <targets>
{"Adrenergic Receptor",Others}

> <classes>
{Others,"Neuronal Signaling"}

> <pubchem_cids>
{107952,45259220,657296}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 10  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 Br  0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 N   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 O   0  0
    6.5000    2.2500    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11226

> <plate>
PLATE 004

> <well>
D6

> <supplier_cmpd_name>
Bromisoval

> <ctcr_id>
10961

> <supplier_cmpd_id>
T0227

> <smiles>
CC(C)C(Br)C(=O)NC(=O)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"anti-inflammatory agent"}

> <synonyms>
{Bromisoval,496-67-3,496673,bromisovalum,bromovalerylurea,Bromvalerylurea,Bromaral,Bromural,2-bromo-N-carbamoyl-3-methylbutanamide,2bromoNcarbamoyl3methylbutanamide,Bromcarbamide,Bromizoval,Bromocarba
mide,Bromisovalerylurea,1-(2-Bromoisovaleryl)urea,1(2Bromoisovaleryl)urea,Bromovalerocarbamide,Bromvaletone,Br,T0227}

> <pdid>
PD013803

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{2447}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 44 48  0  0  1  0            999 V2000
   11.6848   -5.2786    0.0000 C   0  0
   10.3832   -6.0241    0.0000 C   0  0  1  0  0  0
   10.3780   -7.5241    0.0000 C   0  0  1  0  0  0
    9.0764   -8.2697    0.0000 C   0  0  2  0  0  0
    7.7800   -7.5152    0.0000 C   0  0  2  0  0  0
    7.7850   -6.0152    0.0000 C   0  0  1  0  0  0
    9.0867   -5.2697    0.0000 O   0  0
    6.4863   -5.2629    0.0000 O   0  0
    5.1851   -6.0107    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0  2  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
    1.2935   -3.7495    0.0000 C   0  0  2  0  0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    3.8915   -3.7585    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -5.1993   -3.0005    0.0000 C   0  0
   -6.4995   -3.7484    0.0000 C   0  0
   -7.7973   -2.9964    0.0000 C   0  0
   -7.7950   -1.4964    0.0000 C   0  0
   -6.4947   -0.7484    0.0000 C   0  0
   -9.0998   -3.7420    0.0000 O   0  0
  -10.3966   -2.9881    0.0000 C   0  0
   -6.4988   -5.2492    0.0000 O   0  0
   -5.1999   -5.9994    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -0.0030   -2.9951    0.0000 O   0  0
   -0.0133   -5.9950    0.0000 O   0  0
    2.5795   -7.5040    0.0000 O   0  0
    6.4784   -8.2608    0.0000 O   0  0
    9.0713   -9.7697    0.0000 O   0  0
   11.6745   -8.2786    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  6  8  1  6
  8  9  1  0
 10  9  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 14 16  1  6
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 20  1  0
 26 27  2  0
 27 17  1  0
 24 28  1  6
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 31 34  1  0
 34 35  1  0
 30 36  1  0
 36 37  1  0
 19 38  1  0
 13 39  1  1
 12 40  1  6
 11 41  1  1
  5 42  1  1
  4 43  1  1
  3 44  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11227

> <plate>
PLATE 004

> <well>
D7

> <supplier_cmpd_name>
Methyl hesperidin

> <ctcr_id>
10962

> <supplier_cmpd_id>
T0228

> <smiles>
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc1cc(c2C(=O)C[C@H](Oc2c1)c1cc(c(cc1)OC)OC)O)O)O)O)O)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Methylhesperidin,Methyl-Hesperidin,MethylHesperidin,UNII-K324U7386B,UNIIK324U7386B,CHEBI:81056,K324U7386B,DSSTox_CID_841,DSSToxCID841,DSSTox-CID-841,"DSSTox CID 841",DSSTox_RID_75821,DSSToxRID75821,D
SSTox-RID-75821,"DSSTox RID 75821",DSSTox_GSID_20841,DSSToxGSID20841,DSSTox-GSID-20841,"DSSTox GSID 20841","CCRIS 4278",CAS-11013-97-1,CAS11013971,CHEMBL3184988,DTXSID7020841,HY-N0165,HYN0165,Tox21_20
2328,Tox21202328,Tox21-202328,"Tox21 202328",Tox21_302739,Tox21302739,Tox21-302739,"Tox21 302739",ZINC79216850,AKOS015,T0228,"Methyl hesperidin"}

> <pdid>
PD055218

> <targets>
{Akt,PKC}

> <classes>
{"Cytoskeletal Signaling","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{5284419}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  1  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5978   -1.5022    0.0000 C   0  0  2  0  0  0
   -2.5953   -3.0022    0.0000 C   0  0
   -3.8990   -0.7544    0.0000 N   0  0
   -5.1970   -1.5061    0.0000 C   0  0
   -3.9015    0.7456    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 16 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11228

> <plate>
PLATE 004

> <well>
D8

> <supplier_cmpd_name>
Rivastigmine

> <ctcr_id>
158

> <supplier_cmpd_id>
T0229

> <smiles>
CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C

> <pd_targets>
{ACHE,BCHE,CHRNE}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Hydrolase,"Ligand-gated ion channel","Nicotinic acetylcholine receptor","Nicotinic acetylcholine receptor epsilon subunit"}

> <pathway_chembl>
{Enzymes,"Ion channels","Acetylcholine turnover","Ligand-gated ion channels","Nicotinic acetylcholine receptors"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Metabolism of lipids","Transmission across Chemical Synapses","Phospholipid metabolism","Neurotransmitter receptors and postsynaptic signal transmission","Glycerophospho
lipid biosynthesis","Acetylcholine binding and downstream events","Synthesis of PC","Postsynaptic nicotinic acetylcholine receptors","Highly sodium permeable postsynaptic acetylcholine nicotinic recep
tors"}

> <broad_targets>
{ACHE,BCHE}

> <broad_moa>
{"acetylcholinesterase inhibitor"}

> <synonyms>
{RESTW133,"RESTW 133",rivastigmine,123441-03-2,123441032,"123441 03 2",Exelon,"ENA 713 free base",ENA-713,ENA713,"ENA 713","(S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate","(S)3(1(dimethy
lamino)ethyl)phenyl ethyl(methyl)carbamate","(S) 3 (1 (dimethylamino)ethyl)phenyl ethyl(methyl)carbamate",UNII-PKI06M3IW0,UNIIPKI06M3IW0,"UNII PKI06M3IW0",SDZ-ENA-713,SDZENA713,"SDZ ENA 713",CHEMBL636
,SDZ-212-713,SDZ212713,"SDZ 212 713",PKI06M3IW0,"(S)-3-(1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate","(S)3(1(Dimethylamino)ethyl)phenyl ethylmethylcarbamate","(S) 3 (1 (Dimethylamino)ethyl)phen
yl ethylmethylcarbamate",T0229,Prestw-1334,Rivastigmine}

> <pdid>
PD009603

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{77991}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    0.2974   -5.7184    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5447   -7.0216    0.0000 O   0  0
    2.5497   -4.4224    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -2.5998    1.4986    0.0000 C   0  0
   -3.8983    0.7460    0.0000 C   0  0
   -5.1983    1.4943    0.0000 O   0  0
   -3.8967   -0.7548    0.0000 C   0  0
   -4.6429   -1.9648    0.0000 C   0  0
   -3.1429   -1.9600    0.0000 C   0  0
   -2.6013    2.9994    0.0000 C   0  0
   -3.9027    3.7455    0.0000 C   0  0
   -3.9073    5.2455    0.0000 C   0  0
   -2.6105    5.9995    0.0000 C   0  0
   -1.3092    5.2535    0.0000 C   0  0
   -1.3046    3.7535    0.0000 C   0  0
   -0.0032    3.0075    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  2  0
 12 13  1  0
 13  5  2  0
 10 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 17  1  0
 14 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11229

> <plate>
PLATE 004

> <well>
D9

> <supplier_cmpd_name>
Prasugrel

> <ctcr_id>
4087

> <supplier_cmpd_id>
T0230

> <smiles>
CC(=O)Oc1sc2CCN(Cc2c1)C(C(=O)C3CC3)c4ccccc4F

> <pd_targets>
{P2RY12}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Purine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","P2Y receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Nucleotide-like (purinergic) receptors","P2Y receptors"}

> <broad_targets>
{P2RY12}

> <broad_moa>
{"purinergic receptor antagonist"}

> <synonyms>
{Prasugrel,150322-43-3,150322433,Effient,Efient,CS-747,CS747,"Prasugrel (Effient)",LY640315,LY-640315,"CS 747","Pcr 4099",CHEBI:87723,"Prasugrel, 98",Prasita,SMR002533665,1189919-49-0,1189919490,"Pras
ugrel (INN:BAN)",NCGC00188690-01,NCGC0018869001,NCGC00188690-02,NCGC0018869002,"HSDB 7995",Prasugrel/Ef,T0230,S1258}

> <pdid>
PD001686

> <targets>
{"P2 Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{6918456}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 21  0  0  0  0            999 V2000
    8.9990    0.3675    0.0000 Cl  0  5
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  3
   -9.0990    0.7364    0.0000 C   0  0
  -10.3996    1.4837    0.0000 C   0  0
   -7.8060    2.9895    0.0000 C   0  0
   -9.1074    3.7354    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
  9 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
M  CHG  2   1  -1  18   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11230

> <plate>
PLATE 004

> <well>
D10

> <supplier_cmpd_name>
Proparacaine hydrochloride

> <ctcr_id>
6833

> <supplier_cmpd_id>
T0222

> <smiles>
[Cl-].CCCOc1ccc(cc1N)C(=O)OCC[NH+](CC)CC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS026749832,MCULE-8418206804,MCULE8418206804,"MCULE 8418206804","Proparacaine hydrochloride",5875-06-9,5875069,"5875 06 9","Proparacaine Hcl","Proxymetacaine hydrochloride","2-(Diethylamino)ethyl 3
-Amino-4-propoxybenzoate Hydrochloride","2(Diethylamino)ethyl 3Amino4propoxybenzoate Hydrochloride",2(,SAM002564232,1505688,Prestw-959,CPD000875264,"PROPARACAINE HYDROCHLORIDE"}

> <pdid>

> <targets>
{}

> <classes>
{"local anesthetic"}

> <pubchem_cids>
{22169,517321}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 39  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 O   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1886    6.0105    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.5133   -2.9102    0.0000 C   0  0
    1.9910   -3.1685    0.0000 C   0  0
    2.5062   -4.5772    0.0000 C   0  0
    1.5439   -5.7278    0.0000 C   0  0
    0.0662   -5.4697    0.0000 C   0  0
   -0.4490   -4.0609    0.0000 C   0  0
   -1.9267   -3.8029    0.0000 Cl  0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8926   -3.7566    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   11.5867   -2.2448    0.0000 O   0  0
   11.5872   -0.7448    0.0000 S   0  0
   12.8867    0.0044    0.0000 O   0  0
   12.8859   -1.4954    0.0000 O   0  0
   10.2874    0.0056    0.0000 C   0  0
   10.2874    1.5056    0.0000 C   0  0
    8.9884    2.2556    0.0000 C   0  0
    7.6894    1.5056    0.0000 C   0  0
    7.6894    0.0056    0.0000 C   0  0
    8.9884   -0.7444    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  7 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16  6  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 15 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 14 28  1  0
 29 30  1  0
 30 31  2  0
 30 32  2  0
 30 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11231

> <plate>
PLATE 004

> <well>
D11

> <supplier_cmpd_name>
Amlodipine Besylate

> <ctcr_id>
5003

> <supplier_cmpd_id>
T0231

> <smiles>
CCOC(=O)C1=C(COCCN)NC(=C(C1c2ccccc2Cl)C(=O)OC)C.O[S](=O)(=O)c3ccccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AMLODIPINE BESYLATE",111470-99-6,111470996,"Amlodipine benzenesulfonate","Amlodipine besilate","Amlodipine (besylate)",Istin,Amdepin,Amdipin,Amlodin,Pelmec,C26H31ClN2O8S,(S)-Amlodipine;levoamlodipin
e,(S)Amlodipine;levoamlodipine,"Amlodipine besylate (Norvasc)",CHEBI:2669,T0231,1505202,"Amlodipine Besylate"}

> <pdid>
PD008989

> <targets>
{}

> <classes>
{"Ca channel blocker"}

> <pubchem_cids>
{60496,11330522}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    1.2956   -3.7547    0.0000 C   0  0
    1.2951   -5.2547    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11232

> <plate>
PLATE 004

> <well>
E2

> <supplier_cmpd_name>
Ethamivan

> <ctcr_id>
1634

> <supplier_cmpd_id>
T0233

> <smiles>
CCN(CC)C(=O)c1ccc(O)c(OC)c1

> <pd_targets>
{BLM,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450","Cytochrome P450 family 1","Cytochrome P450 family 1A","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP1 family"}

> <pathway_reactome>
{"DNA Repair",Metabolism,"DNA Double-Strand Break Repair","Biological oxidations","Homology Directed Repair","Phase I - Functionalization of compounds","HDR through Homologous Recombination (HRR) or S
ingle Strand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HRR)",Xenobiotics,"Homologous DNA Pairing and Strand Exchange","Aromatic amines can 
be N-hydroxylated or N-dealkylated by CYP1A2","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"respiratory stimulant"}

> <synonyms>
{RESTW50,ETHAMIVAN,Etamivan,"Vanillic acid diethylamide",304-84-7,304847,Vandid,Analepticon,Etamivanum,Emivan,Cardiovanil,Corivanil,Diethamivan,Simaron,Diethylvanillamide,Ventilone,Romecor,Sevanil,"N,
N-Diethylvanillamide","N,NDiethylvanillamide",Cardiovamil,N,N-Diethyl-4-hydroxy-3-m,NDiethyl4hydroxy3m,T0233,1505994,Prestw-500,Ethamivan}

> <pdid>
PD000234

> <targets>
{}

> <classes>
{"CNS & respiratory stimulant"}

> <pubchem_cids>
{9363}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 S   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
    1.3000   -0.7500    0.0000 O   0  0
    8.9971    1.5004    0.0000 C   0  0
    7.6981    2.2504    0.0000 C   0  0
    7.6981    3.7504    0.0000 N   0  0
    6.3990    4.5004    0.0000 C   0  0
    5.1000    3.7504    0.0000 C   0  0
    5.1000    2.2504    0.0000 N   0  0
    6.3990    1.5004    0.0000 C   0  0
    6.3990   -0.0003    0.0000 N   0  0
    5.1012   -0.7525    0.0000 C   0  0
    5.1036   -2.2525    0.0000 C   0  0
    6.4038   -3.0004    0.0000 C   0  0
    7.7016   -2.2484    0.0000 C   0  0
    7.6993   -0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11233

> <plate>
PLATE 004

> <well>
E3

> <supplier_cmpd_name>
Modaline sulfate

> <ctcr_id>
10964

> <supplier_cmpd_id>
T0235

> <smiles>
OS(=O)(=O)O.Cc1nccnc1N1CCCCC1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"MODALINE SULFATE","Modaline (sulfate)",2856-75-9,2856759,"2-Methyl-3-piperidinopyrazine sulfate (1:1)","2Methyl3piperidinopyrazine sulfate (1:1)","W 3207B","2-Methyl-3-piperidinopyrazine monosulfate
","2Methyl3piperidinopyrazine monosulfate","Modaline sulfate (USAN)",UNII-NH3315AI6E,UNIINH3315AI6E,NSC-89277,NSC89277,W3207B,"W 3207 B",Pyrazine,2-met,2met,T0235,"Modaline sulfate"}

> <pdid>

> <targets>
{MAO,Monoamine Oxidase}

> <classes>
{Metabolism,Neuronal Signaling}

> <pubchem_cids>
{17859}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 O   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11234

> <plate>
PLATE 004

> <well>
E4

> <supplier_cmpd_name>
Trimetozine

> <ctcr_id>
1937

> <supplier_cmpd_id>
T0240

> <smiles>
COc1cc(cc(OC)c1OC)C(=O)N2CCOCC2

> <pd_targets>
{FFP,MAPT}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{sedative}

> <synonyms>
{TRIMETOZINE,635-41-6,635416,Sedoxazine,Trioxazin,Trioxazine,Trimethoxazine,Trifenoxazin,Opalene,Trimetozin,Triksazin,Trimetozina,Abbott-22370,Abbott22370,"4-(3,4,5-Trimethoxybenzoyl)morpholine","4(3,
4,5Trimethoxybenzoyl)morpholine","Morpholine, 4-(3,4,5-trimethoxybenzoyl)-","Morpholine, 4(3,4,5trimethoxybenzoyl)","PS 2383","NSC 62939",NSC,T0240,1504214,Trimetozine}

> <pdid>
PD001228

> <targets>
{}

> <classes>
{sedative,neurosedative}

> <pubchem_cids>
{12478}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    5.1983   -3.0012    0.0000 N   0  0
    5.1988   -1.5012    0.0000 C   0  0
    6.4983   -0.7520    0.0000 O   0  0
    3.8990   -0.7508    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8975   -2.2510    0.0000 O   0  0
    2.5983   -3.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11235

> <plate>
PLATE 004

> <well>
E5

> <supplier_cmpd_name>
Sulfanilylurea

> <ctcr_id>
10965

> <supplier_cmpd_id>
T0241

> <smiles>
NC(=O)NS(=O)(=O)c1ccc(N)cc1

> <pd_targets>
{FFP}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Sulfacarbamide,547-44-4,547444,SULFANILYLUREA,4-Amino-N-carbamoylbenzenesulfonamide,4AminoNcarbamoylbenzenesulfonamide,Sulfaurea,Sulphaurea,Sulfanilcarbamid,Sulfanyluree,Urosulfan,Urosulfane,Sulfanyl
harnstoff,4-Sulfacarbamide,4Sulfacarbamide,Euvernil,Uractyl,Uramid,Urenil,(4-aminophenyl)sulfonylur,(4aminophenyl)sulfonylur,T0241,Sulfanilylurea}

> <pdid>
PD000191

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{11033}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5886   -6.0033    0.0000 C   0  0
    1.2919   -5.2492    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1882   -2.6402    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.0972    0.1560    0.0000 C   0  0
   -5.7073    1.5264    0.0000 C   0  0
   -7.1996    1.6863    0.0000 O   0  0
   -7.8081    3.0582    0.0000 C   0  0
   -9.3004    3.2182    0.0000 C   0  0
   -9.9089    4.5901    0.0000 N   0  0
  -11.4012    4.7501    0.0000 C   0  0
  -12.0093    6.1213    0.0000 C   0  0
   -9.0271    5.8046    0.0000 C   0  0
   -9.6368    7.1751    0.0000 C   0  0
   -4.8257    2.7399    0.0000 C   0  0
   -3.3339    2.5831    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 19 28  2  0
 28 29  1  0
 29 30  2  0
 30 12  1  0
 30 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11236

> <plate>
PLATE 004

> <well>
E6

> <supplier_cmpd_name>
Tilorone dihydrochloride

> <ctcr_id>
5733

> <supplier_cmpd_id>
T0244

> <smiles>
CCN(CC)CCOc1ccc2c(c1)C(=O)c3cc(OCCN(CC)CC)ccc23

> <pd_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,CHRNA7,DNAG,REP,KMT2A,MAPT,CFTR}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel",Enzyme,"Epigenetic regulator","Other cytosolic protein","Family A G protein-coupled receptor","Ligand-gated ion channel",Transferase,Reader,"Other ion channel","Smal
l molecule receptor (family A GPCR)","Nicotinic acetylcholine receptor",Bromodomain,"Chloride channel","Monoamine receptor","Nicotinic acetylcholine receptor alpha subunit","Cystic fibrosis transmembr
ane conductance regulator","Acetylcholine receptor"}

> <pathway_chembl>
{"Ion channels","Other protein targets",Enzymes,"Ligand-gated ion channels","Anti-infective targets","Chromatin modifying enzymes","Other ion channels","Nicotinic acetylcholine receptors","Viral prote
in targets","2.1.1.43 Histone methyltransferases (HMTs)","Chloride channels","Coronavirus (CoV) proteins",CFTR}

> <pathway_reactome>
{"Neuronal System",Disease,"Gene expression (Transcription)",Autophagy,"Transmission across Chemical Synapses","Infectious disease","RNA Polymerase II Transcription",Macroautophagy,"Neurotransmitter r
eceptors and postsynaptic signal transmission","SARS-CoV Infections","Generic Transcription Pathway","Selective autophagy","Acetylcholine binding and downstream events","SARS-CoV-2 Infection","Transcr
iptional regulation by RUNX1","Activation of NMDA receptors and postsynaptic events",Aggrephagy,"Postsynaptic nicotinic acetylcholine receptors","SARS-CoV-2 Genome Replication and Transcription","RUNX
1 regulates genes involved in megakaryocyte differentiation and platelet function","Post NMDA receptor activation events","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Rep
lication of the SARS-CoV-2 genome","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{"interferon inducer"}

> <synonyms>
{27591-97-5,27591975,Bis-DEAE-fluorenone,BisDEAEfluorenone,Tilorona,Tiloronum,"2,7-Bis-DEAE-fluorenone","2,7BisDEAEfluorenone",UNII-O6W7VEW6KS,UNIIO6W7VEW6KS,C25H34N2O3,"Amixin IC","Tilorone hydrochlo
ride","2,7-Bis(2-(diethylamino)ethoxy)-9H-fluoren-9-one","2,7Bis(2(diethylamino)ethoxy)9Hfluoren9one",9H-Fluoren-9-one,9HFluoren9one,2,7-bis(2-(diethylamino)eth,7bis(2(diethylamino)eth,T0244,2300009,"
Tilorone dihydrochloride",TILORONE}

> <pdid>
PD000088

> <targets>
{}

> <classes>
{antiviral}

> <pubchem_cids>
{5475}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 O   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -3.8805    1.4409    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    0.0093   -6.0025    0.0000 C   0  0
    2.6078   -5.9988    0.0000 C   0  0
    2.6109   -7.4996    0.0000 C   0  0
    3.9117   -8.2481    0.0000 C   0  0
    5.2095   -7.4959    0.0000 O   0  0
    3.9148   -9.7490    0.0000 O   0  0
    5.2157  -10.4975    0.0000 C   0  0
    5.2188  -11.9983    0.0000 C   0  0
    6.5196  -12.7469    0.0000 N   0  0
    6.5249  -14.2469    0.0000 C   0  0
    7.8265  -14.9924    0.0000 C   0  0
    9.1229  -14.2379    0.0000 O   0  0
    9.1177  -12.7379    0.0000 C   0  0
    7.8161  -11.9924    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  6  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  3  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11237

> <plate>
PLATE 004

> <well>
E7

> <supplier_cmpd_name>
Mycophenolate mofetil

> <ctcr_id>
1425

> <supplier_cmpd_id>
T0245

> <smiles>
COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCC(=O)OCCN3CCOCC3

> <pd_targets>
{ABCB11,ABCC4,IMPDH1,IMPDH2,PTS,ALDH1A1,LMNA,HPGD}

> <pathway_gtopdb>
{Transporter,Enzyme,"Other nuclear protein","Primary active transporter",Oxidoreductase,"ATP-binding cassette","ABCB subfamily","ABCC subfamily"}

> <pathway_chembl>
{Transporters,Enzymes,"ATP-binding cassette transporter family","1.-.-.- Oxidoreductases","Eicosanoid turnover","ABCB subfamily","ABCC subfamily","Prostaglandin synthases"}

> <pathway_reactome>
{Metabolism,Hemostasis,Disease,"Cell Cycle","Metabolism of lipids","Platelet activation","signaling and aggregation","Infectious disease","Metabolism of vitamins and cofactors","Biological oxidations"
,Mitotic,"Metabolism of steroids","Response to elevated platelet cytosolic Ca2+","SARS-CoV Infections","Metabolism of cofactors","Phase I - Functionalization of compounds","M Phase","Biosynthesis of s
pecialized proresolving mediators (SPMs)","Bile acid and bile salt metabolism","Platelet degranulation","Potential therapeutics for SARS","Tetrahydrobiopterin (BH4) synthesis",recycling,"salvage and r
egulation","Ethanol oxidation","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Synthesis of bile acids and bile salts","Mitotic Anaphase","Biosynthesis of D-series resolvins","Syn
thesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{IMPDH1,IMPDH2}

> <broad_moa>
{"dehydrogenase inhibitor","inositol monophosphatase inhibitor"}

> <synonyms>
{C23H31NO7,NCGC00159459-02,NCGC0015945902,ACMC-20msyz,ACMC20msyz,CHEMBL3210645,HMS3654P16,BCP12786,BCP27678,ANW-53823,ANW53823,AKOS030228217,"Mycophenolate Mofetil-d4 (deuterated)","Mycophenolate Mofe
tild4 (deuterated)",MCULE-4341497570,MCULE4341497570,AK-98658,AK98658,H944,DB-062658,DB062658,FT-0631127,FT0631127,FT-0652331,FT0652331,FT-0672560,FT0672560,Q27165305,CellCept;RS-61443;R,CellCept;RS61
443;R,T6293,T0245,S1501,"Mycophenolate Mofetil","Mycophenolate mofetil"}

> <pdid>
PD000743

> <targets>
{Dehydrogenase}

> <classes>
{Metabolism}

> <pubchem_cids>
{4271}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 34  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   15.4768   -6.0105    0.0000 C   0  0
   14.1793   -5.2578    0.0000 C   0  0
   12.8790   -6.0056    0.0000 C   0  0
   14.1814   -3.7570    0.0000 N   0  0
   12.8832   -3.0039    0.0000 C   0  0
   12.8854   -1.5031    0.0000 C   0  0
   14.1857   -0.7553    0.0000 O   0  0
   11.5872   -0.7500    0.0000 C   0  0
   11.5872    0.7500    0.0000 C   0  0
   10.2881    1.5000    0.0000 C   0  0
   10.2881    3.0000    0.0000 O   0  0
    8.9891    0.7500    0.0000 C   0  0
    8.9891   -0.7500    0.0000 C   0  0
    7.6900   -1.5000    0.0000 O   0  0
   10.2881   -1.5000    0.0000 C   0  0
   19.2775   -0.0051    0.0000 O   0  0
   19.2775   -1.5051    0.0000 S   0  0
   19.2775   -3.0051    0.0000 O   0  0
   17.9782   -2.2547    0.0000 O   0  0
   20.5768   -2.2547    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  8  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 23  1  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 32 35  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11238

> <plate>
PLATE 004

> <well>
E8

> <supplier_cmpd_name>
Orciprenaline sulfate

> <ctcr_id>
1474

> <supplier_cmpd_id>
T0277

> <smiles>
CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c2cc(O)cc(O)c2.O[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW50,Prometa,"Orciprenaline sulphate",TH-152,TH152,Novasmasol,Metaprel,Alotec,"EINECS 227-539-6","EINECS 2275396","1-(3,5-Dihydroxyphenyl)-2-(isopropylamino)ethanol sulfate","1(3,5Dihydroxyphenyl)
2(isopropylamino)ethanol sulfate","1-(3,5-Dihydroxyphenyl)-1-hydroxy-2-isopropylaminoethane sulfate","1(3,5Dihydroxyphenyl)1hydroxy2isopropylaminoethane sulfate","Metaproterenol sulfate (USAN:U",T0277
,Prestw-505,"Orciprenaline sulfate","Metaproterenol sulfate, orciprenaline sulfate"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{24835641,441333}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 44 47  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  1  0  0  0
    1.3092    5.2494    0.0000 C   0  0  2  0  0  0
    0.0127    6.0039    0.0000 O   0  0
    2.6108    5.9949    0.0000 C   0  0  1  0  0  0
    2.6160    7.4949    0.0000 O   0  0
    3.9072    5.2405    0.0000 C   0  0  2  0  0  0
    3.9020    3.7405    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0  2  0  0  0
    2.5984    1.4941    0.0000 C   0  0
    3.8959    0.7415    0.0000 O   0  0
    5.2080    5.9891    0.0000 O   0  0
    6.5072    5.2376    0.0000 C   0  0  1  0  0  0
    7.8084    5.9839    0.0000 C   0  0  2  0  0  0
    7.8127    7.4839    0.0000 O   0  0
    9.1053    5.2303    0.0000 C   0  0  1  0  0  0
   10.4065    5.9767    0.0000 O   0  0
    9.1011    3.7303    0.0000 C   0  0
   10.3981    2.9767    0.0000 O   0  0
    7.8000    2.9840    0.0000 O   0  0
    6.5031    3.7376    0.0000 C   0  0  2  0  0  0
    5.2028    2.9881    0.0000 C   0  0
    5.2008    1.4881    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0  1  0  0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 C   0  0
   -5.1903   -1.4829    0.0000 O   0  0
   -3.9072   -5.2404    0.0000 C   0  0  1  0  0  0
   -5.2088   -5.9860    0.0000 O   0  0
   -2.6108   -5.9949    0.0000 C   0  0  2  0  0  0
   -2.6160   -7.4949    0.0000 O   0  0
   -1.3092   -5.2494    0.0000 C   0  0  1  0  0  0
   -0.0127   -6.0039    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  1
  6  5  1  1
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13  6  1  0
 13 14  1  6
 14 15  1  0
 11 16  1  1
 17 16  1  1
 17 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 17  1  0
 25 26  1  6
 26 27  1  0
  4 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  1  6
 30 32  1  0
 32  2  1  0
 32 33  1  1
 34 33  1  6
 34 35  1  0
 35 36  2  3
 36 37  1  0
 37 38  1  0
 36 39  1  0
 39 40  1  6
 39 41  1  0
 41 42  1  1
 41 43  1  0
 43 34  1  0
 43 44  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11239

> <plate>
PLATE 004

> <well>
E9

> <supplier_cmpd_name>
Acarbose

> <ctcr_id>
1836

> <supplier_cmpd_id>
T0247

> <smiles>
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]4C=C(CO)[C@@H](O)[C@H](O)[C@H]4O

> <pd_targets>
{IMA1,AMY2,SI,GAA,MGAM,MGAM2,CWH41,MAL12,AMY1A,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,Hydrolase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"3.2.1.- Glycosidases"}

> <pathway_reactome>
{"Digestion and absorption",Disease,Metabolism,Digestion,"Diseases of metabolism","Biological oxidations","Digestion of dietary carbohydrate","Diseases of carbohydrate metabolism","Phase I - Functiona
lization of compounds","Intestinal saccharidase deficiencies","Glycogen storage diseases","Ethanol oxidation","Glycogen storage disease type II (GAA)"}

> <broad_targets>
{AMY2A,MGAM}

> <broad_moa>
{"glucosidase inhibitor"}

> <synonyms>
{56180-94-0,56180940,Glucobay,Precose,Acarbosum,Prandase,CHEBI:2376,MFCD00869592,"BAY-g 5421","BAYg 5421",C25H43NO18,SMR000466376,SR-01000759407,SR01000759407,Acarbose/,Glucobay;,Prandase;,Precose;,"A
carbose,(S)","Precose (TN)","Acarbose (JAN/USAN/INN)",MLS000759506,MLS001,SAM001246733,1505172,CPD000466376,ACARBOSE}

> <pdid>
PD000582

> <targets>
{}

> <classes>
{antidiabetes,antiobesity,antihyperlipidaemia,"alpha-glucosidase & saccharase inhibitor"}

> <pubchem_cids>
{41774}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 14  0  0  0  0            999 V2000
   12.8003   -0.7504    0.0000 H   0  3
   10.3003   -0.7504    0.0000 Cl  0  5
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4964    0.7591    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11240

> <plate>
PLATE 004

> <well>
E10

> <supplier_cmpd_name>
Clorprenaline hydrochloride

> <ctcr_id>
6513

> <supplier_cmpd_id>
T0248

> <smiles>
[H+].[Cl-].CC(C)NCC(O)c1ccccc1Cl

> <pd_targets>
{ADRB2,ADRB1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{ADRB1,ADRB2}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{AKOS015891123,"clorprenaline hydrochloride",6933-90-0,6933900,"1-(2-Chlorophenyl)-2-(isopropylamino)ethanol hydrochloride","1(2Chlorophenyl)2(isopropylamino)ethanol hydrochloride","Clorprenaline HCl"
,"USAF EL-50","USAF EL50",1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride,1(2chlorophenyl)2(propan2ylamino)ethanol;hydrochloride,N-Isopropyl-2-hydroxy-2-(o-chlorophenyl,NIsopropyl2hydroxy
2(ochlorophenyl,T0248,S4135,"Clorprenaline hydrochloride","Clorprenaline HCL"}

> <pdid>
PD014780

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{51358178,23360}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 20  0  0  0  0            999 V2000
    8.9894   -3.3824    0.0000 Cl  0  0
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7601    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -5.1996    1.4928    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 15 20  1  0
 20 21  2  0
 21 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11241

> <plate>
PLATE 004

> <well>
E11

> <supplier_cmpd_name>
Acecainide

> <ctcr_id>
5999

> <supplier_cmpd_id>
T0249

> <smiles>
Cl.CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1

> <pd_targets>
{BLM,POLB,CYP3A4,THRB,SMN1,KCNH2,NFKB1,ALDH1A1,CHRM1,SLC22A1,SLC22A2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Ion channel","Other cytosolic protein","Membrane receptor",Transporter,"Cytochrome P450","Nuclear receptor",Reader,"Voltage-gated ion channel",Ox
idoreductase,"Family A G protein-coupled receptor","Electrochemical transporter","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Methyl-lysine/arginine binding protein","Potassium c
hannels","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group A","Tudor domain","Voltage-gated potassi
um channel","Monoamine receptor","SLC22 family of organic cation and anion transporters","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group A member 2","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels",Transporters,"Cytochrome P450","Nuclear hormone receptors","Voltage-gated ion channels","G protein-coupled receptors","SLC superfamily of solute carriers","CYP3 famil
y","1A. Thyroid hormone receptors","Potassium channels","Acetylcholine receptors (muscarinic)","SLC22 family of organic cation and anion transporters","Voltage-gated potassium channels","Organic catio
n transporters (OCT)"}

> <pathway_reactome>
{"DNA Repair",Metabolism,"Metabolism of proteins","Metabolism of RNA","Muscle contraction","Immune System","Signal Transduction","Transport of small molecules","DNA Double-Strand Break Repair","Base E
xcision Repair","Metabolism of lipids","Post-translational protein modification","Metabolism of non-coding RNA","Cardiac conduction","Cytokine Signaling in Immune system","Biological oxidations","Sign
aling by GPCR","SLC-mediated transmembrane transport","Homology Directed Repair","Resolution of Abasic Sites (AP sites)","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"snRNP 
Assembly","Phase 3 - rapid repolarisation","Signaling by Interleukins","Phase I - Functionalization of compounds","GPCR ligand binding","Transport of bile salts and organic acids","metal ions and amin
e compounds","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Biosynthesis of DHA-derived S
PMs","SUMO E3 ligases SUMOylate target proteins","Interleukin-1 family signaling","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Organic cation/anion/zwitterion transport","HDR through Ho
mologous Recombination (HRR)","PCNA-Dependent Long Patch Base Excision Repair","Biosynthesis of maresins","SUMOylation of intracellular receptors","Interleukin-1 signaling","Amine ligand-binding recep
tors","Organic cation transport","Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic acetylcholine receptors","Pre
synaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{SCN5A}

> <broad_moa>
{"polarization inhibitor"}

> <synonyms>
{"Benzamide, 4-(acetylamino)-N-(2-(diethylamino)ethyl)-, monohydrochloride","Benzamide, 4(acetylamino)N(2(diethylamino)ethyl), monohydrochloride","Acecainide hydrochloride",34118-92-8,34118928,"N-ACET
YLPROCAINAMIDE HYDROCHLORIDE","NACETYLPROCAINAMIDE HYDROCHLORIDE","Acecainide HCl",NAPA,UNII-B9K738KX14,UNIIB9K738KX14,4-acetamido-N-(2-(diethylamino)ethyl)be,4acetamidoN(2(diethylamino)ethyl)be,T3575
,T0249,2300154,Acecainide,"ACECAINIDE HYDROCHLORIDE"}

> <pdid>
PD013603

> <targets>
{}

> <classes>
{antiarrhythmic}

> <pubchem_cids>
{71417,67108272}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    0.7481    4.2096    0.0000 C   0  0
   -0.7519    4.2072    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1968    1.5003    0.0000 N   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -7.7974    2.9963    0.0000 N   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 F   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  7  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 12 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 10  1  0
 22 23  1  0
 23  4  1  0
 23 24  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11242

> <plate>
PLATE 004

> <well>
F2

> <supplier_cmpd_name>
Ciprofloxacin hydrochloride

> <ctcr_id>
3043

> <supplier_cmpd_id>
T0250

> <smiles>
OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O

> <pd_targets>
{HSD17B10,GYRA,GYRB,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,ALDH1A1,CYP1A2,PARC,PARE,TOP2B,MDTK,KDM4E,HRH3,HPGD,LMNA,TOP2A}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transporter,"Epigenetic regulator","Membrane receptor","Other nuclear protein",Oxidoreductase,Isomerase,"Ligand-gated ion channel","Cytochrome P450","Primary active transporter",
Eraser,"Family A G protein-coupled receptor",Protease,"GABA-A receptor","Cytochrome P450 family 1","ATP-binding cassette","Lysine demethylase","Small molecule receptor (family A GPCR)","Cysteine prote
ase","Cytochrome P450 family 1A","ABCB subfamily","Jumonji domain-containing","Monoamine receptor","Cysteine protease CA clan","Cytochrome P450 1A1","Histamine receptor","Cysteine protease C1A family"
}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Chromatin modifying enzymes","G protein-coupled receptors","Eicosanoid turnover","DNA topoisomerases","CYP1 family","1.14.11.- Histone demethylases","Histamine re
ceptors","Prostaglandin synthases"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Signal Transduction","Cell Cycle","Metabolism of amino acids and derivatives","Biological oxidations","Post-translational protein modification","Signaling by GPCR
","Metabolism of lipids",Mitotic,"Branched-chain amino acid catabolism","Phase I - Functionalization of compounds",SUMOylation,"GPCR ligand binding","Biosynthesis of specialized proresolving mediators
 (SPMs)","M Phase","Mitotic G1 phase and G1/S transition","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","SUMO E3 ligases SUMOylate target proteins","Class A/1 (Rhodopsin-like rece
ptors)","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","G0 and Early G1",Xenobiotics,"SUMOylation of DNA replication proteins","Amine ligand-binding receptors","Biosynthesis of D-
series resolvins","Mitotic Anaphase","Transcription of E2F targets under negative control by DREAM complex","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Histamine receptors","Nu
clear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{Cipro,A841426,1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazin-4-iumyl)-3-quinolinecarboxylate,1cyclopropyl6fluoro4oxo7(1piperazin4iumyl)3quinolinecarboxylate,"Cipro XR",ciprofloxacin,85721-33-1,85721331,
Ciprobay,Ciprofloxacine,Ciproxan,Ciprofloxacina,"Cipro IV",Ciprofloxacino,Ciprofloxacinum,Ciproflox,Ciproxina,BAY,T1640,T0250,1503614,Ciprofloxacin,"Ciprofloxacin hydrochloride",CIPROFLOXACIN}

> <pdid>
PD000974

> <targets>
{}

> <classes>
{fungicide,antibacterial}

> <pubchem_cids>
{4011971,2764}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -3.9492    0.8772    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0  2  0  0  0
   -6.4441    1.8282    0.0000 C   0  0
   -7.0500    0.4561    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0  1  0  0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.3214    2.4906    0.0000 F   0  0
   -3.0655    4.4450    0.0000 F   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 11 14  1  0
 14 15  1  1
 14 16  1  0
 16  9  1  0
 16 17  1  0
 16 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11243

> <plate>
PLATE 004

> <well>
F3

> <supplier_cmpd_name>
Gemcitabine

> <ctcr_id>
2701

> <supplier_cmpd_id>
T0251

> <smiles>
NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F

> <pd_targets>
{REP,POLA1,POLA2,POLD1,POLD2,POLD3,POLD4,POLE,POLE2,POLE3,PRIM1,PRIM2,RRM1,RRM2,RRM2B,TYMS,CMPK1}

> <pathway_gtopdb>
{Enzyme,Transferase,Oxidoreductase}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","1.17.4.1 Ribonucleoside-diphosphate reductases","2.1.1.- Methyltransferases","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,"Cell Cycle",Metabolism,"Infectious disease",Mitotic,"Metabolism of nucleotides","SARS-CoV Infections","Mitotic G1 phase and G1/S transition","Interconversion of nucleotide di- and triphospha
tes","SARS-CoV-1 Infection","G1/S Transition","SARS-CoV-1 Genome Replication and Transcription","G1/S-Specific Transcription","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{CMPK1,RRM1,RRM2,TYMS}

> <broad_moa>
{"ribonucleotide reductase inhibitor"}

> <synonyms>
{gemcitabine,95058-81-4,95058814,"2'-Deoxy-2',2'-difluorocytidine","2'Deoxy2',2'difluorocytidine","2',2'-Difluorodeoxycytidine","2',2'Difluorodeoxycytidine","Gemcitabine HCl",dFdC,"GEMCITABINE HYDROCH
LORIDE","Cytidine, 2'-deoxy-2',2'-difluoro-","Cytidine, 2'deoxy2',2'difluoro","Gemcitabine free base",UNII-B76N6SBZ8R,UNIIB76N6SBZ8R,103882-84-4,103882844,LY188011,2',2'-,T0251,T6069,S1714,Prestw-1266
,Gemcitabine,Gemcitabine}

> <pdid>
PD003524

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60750}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    9.6911    0.9621    0.0000 Br  0  5
   -1.8948    4.3802    0.0000 C   0  0
   -2.9996    3.3656    0.0000 N   0  3
   -4.4042    3.8919    0.0000 C   0  0
   -2.9996    0.5981    0.0000 C   0  0
   -1.7408    0.1428    0.0000 C   0  0
   -0.5981    0.5356    0.0000 C   0  0
   -1.1338    1.6158    0.0000 C   0  0
   -2.4550    2.0265    0.0000 C   0  0
   -3.8209    1.2230    0.0000 C   0  0
   -5.2493    0.8035    0.0000 O   0  0
   -4.1780   -0.1875    0.0000 C   0  0
    0.6817   -0.2152    0.0000 O   0  0
    1.9863    0.5268    0.0000 C   0  0
    1.9956    2.0267    0.0000 O   0  0
    3.2816   -0.2313    0.0000 C   0  0
    3.2693   -1.7321    0.0000 C   0  0
    1.9645   -2.4721    0.0000 O   0  0
    4.5863    0.5106    0.0000 C   0  0
    5.8820   -0.2451    0.0000 C   0  0
    7.1844    0.4991    0.0000 C   0  0
    7.1911    1.9990    0.0000 C   0  0
    5.8954    2.7549    0.0000 C   0  0
    4.5931    2.0107    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  5  1  0
 12 10  1  0
  7 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11244

> <plate>
PLATE 004

> <well>
F4

> <supplier_cmpd_name>
Methscopolamine

> <ctcr_id>
687

> <supplier_cmpd_id>
T0253

> <smiles>
[Br-].C[N+]1(C)C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4

> <pd_targets>
{CHRM2,GPM3,CYP3A4,HSD17B10,GPM4,TSHR,HIF1A,CHRM1,CHRM4,GPM2,CHRM3,CHRM5,RORC,AMPC,BLM}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Transcription factor","Family A G protein-coupled receptor","Cytochrome P450",Oxidoreductase,"Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Peptide 
receptor (family A GPCR)","Monoamine receptor","Cytochrome P450 family 3A","Glycohormone receptor","Acetylcholine receptor","Cytochrome P450 3A4","Nuclear receptor",Hydrolase,"Nuclear hormone receptor
 subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Acetylcholine receptors (muscarinic)","CYP3 family","Glycoprotein hormone receptors","Nuclear hormone receptors","1F. Retinoic acid-
related orphans"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Cellular responses to external stimuli","Signaling by GPCR","Metabolism of lipids","Metabolism of amino acids and derivatives","Infectious disease","Cellular
 responses to stress","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Leishmania infection","Cellular response to hypoxia","Cl
ass A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Amine ligan
d-binding receptors","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","ADORA2B m
ediated anti-inflammatory cytokines production","Gene expression (Transcription)","DNA Repair","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Generic Transcription Pathway","Homol
ogy Directed Repair","Transcriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","RUNX3 Regulates Immune Response and Cell Migration","HDR throu
gh Homologous Recombination (HRR)","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"METHSCOPOLAMINE BROMIDE","(-)-Scopolamine methyl bromide","()Scopolamine methyl bromide",155-41-9,155419,"(-)-Scopolamine methyl bromide;Hyoscine methyl bromide","()Scopolamine methyl bromide;Hyosci
ne methyl bromide",CHEMBL293927,SR-01000076123,SR01000076123,MLS001076542,SCHEMBL265648,HMS2231A18,HMS3373D05,HMS3373M11,BCP34406,AKOS024287992,MCULE-4003028,MCULE4003028,T0253,S1978,Methscopolamine}

> <pdid>
PD013671

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{16757702}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 36  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 S   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 C   0  0
   -1.3015    2.2494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 S   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6131    7.4988    0.0000 C   0  0
   -3.9148    8.2443    0.0000 C   0  0
   -5.2112    7.4898    0.0000 C   0  0
   -6.5128    8.2353    0.0000 O   0  0
   -5.2060    5.9898    0.0000 C   0  0
   -3.9044    5.2443    0.0000 C   0  0
   -6.5031    5.2349    0.0000 C   0  0
   -7.8052    5.9795    0.0000 C   0  0
   -6.4975    3.7349    0.0000 C   0  0
   -7.7992    4.4798    0.0000 C   0  0
   -3.9200    9.7451    0.0000 C   0  0
   -2.6240   10.5004    0.0000 C   0  0
   -5.2218   10.4902    0.0000 C   0  0
   -3.9259   11.2451    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 C   0  0
   -2.5983   -3.0004    0.0000 C   0  0
   -3.8975   -2.2510    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 15 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
  7 28  2  0
 28 29  1  0
 29 30  2  0
 30  5  1  0
 30 31  1  0
 29 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11245

> <plate>
PLATE 004

> <well>
F5

> <supplier_cmpd_name>
Probucol

> <ctcr_id>
1320

> <supplier_cmpd_id>
T0254

> <smiles>
CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C

> <pd_targets>
{ALOX15,MAPT,HPN,ABCA1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Transporter,Oxidoreductase,Protease,"Primary active transporter","Serine protease","ATP-binding cassette","Serine protease PA clan","ABCA subfamily","Serine protease 
S1A subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Eicosanoid turnover","ATP-binding cassette transporter family",Lipoxygenases,"ABCA subfamily"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Signal Transduction",Disease,"Metabolism of lipids","Transmission across Chemical Synapses","Signaling by Receptor Tyrosine Kinases","Disorders of transmembrane transpor
ters","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by MET","ABC transporter disorders","Biosynthesis of DPA-
derived SPMs","Activation of NMDA receptors and postsynaptic events","MET Receptor Activation","Defective ABCA1 causes TGD","Biosynthesis of DPAn-3 SPMs","Post NMDA receptor activation events","Biosyn
thesis of DPAn-3-derived protectins and resolvins","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{ABCA1,ABCB11,CES1}

> <broad_moa>
{"atherogenesis inhibitor"}

> <synonyms>
{probucol,23288-49-5,23288495,Lorelco,Biphenabid,Bisphenabid,Lurselle,Bisbid,Lesterol,Lursell,DH-581,DH581,Panavir,Probucolum,Sinlestal,"Probucolum (INN-Latin)","Probucolum (INNLatin)","DH 581","Aceto
ne bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole","Acetone bis(3,5ditertbutyl4hydroxyphenyl) mercaptole",4,4'-(Isopropylidenedithio)bi,4'(Isopropylidenedithio)bi,T0254,1501109,Prestw-384,Probucol,
PROBUCOL}

> <pdid>
PD001899

> <targets>
{Virus Protease}

> <classes>
{antihyperlipidemic,Anti-infection}

> <pubchem_cids>
{4912}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  0  0            999 V2000
   11.9554   -0.6930    0.0000 H   0  3
    9.4554   -0.6930    0.0000 Cl  0  5
    6.9546   -4.2653    0.0000 C   0  0
    5.4929   -3.9285    0.0000 N   0  0
    4.4707   -5.0263    0.0000 C   0  0
    5.0525   -2.4938    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -5.4558    0.0000 Cl  0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24  9  1  0
 24 18  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11246

> <plate>
PLATE 004

> <well>
F6

> <supplier_cmpd_name>
Clomipramine hydrochloride

> <ctcr_id>
2517

> <supplier_cmpd_id>
T0255

> <smiles>
[H+].[Cl-].CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13

> <pd_targets>
{SLC6A3,KCNJ6,DRD2,HRH1,HTR2A,TPR,SLC6A2,SLC6A4,ADRA1A,TSHR,CYP2D6,ADRA1B,IMPA1,TP53,CYP3A4,CYP1A2,ADRA1D,HTR7,HTR2C,HRH2,KMT2A,MEN1,RORC,THPO,LEF,CHRM1,ABCB11,NPSR1,ADRA2A,ADRA2B,ADRA2C,HTR2B,HTR1A,H
TR1B,HTR1D,HTR1F,HTR3A,HTR3B,HTR4,HTR5A,HTR5B,HTR6,PSMA6,TIM10,DRD3,REP,LMNA,PMP22,FFP,FTL,KDM4E,MAPT,THRB,CHRM4,SIGMAR1,SLC22A1,MTOR,CACNA1C,CHRM5,CHRM3,CHRM2,KCNJ5,GSTP1}

> <pathway_gtopdb>
{Transporter,"Ion channel","Membrane receptor",Enzyme,"Transcription factor","Epigenetic regulator","Unclassified protein","Other nuclear protein","Other cytosolic protein","Electrochemical transporte
r","Voltage-gated ion channel","Family A G protein-coupled receptor",Oxidoreductase,"Cytochrome P450",Hydrolase,Reader,"Nuclear receptor",Protease,"Primary active transporter","Ligand-gated ion channe
l",Transferase,Eraser,Kinase,"SLC superfamily of solute carriers","Potassium channels","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Cytochro
me P450 family 3","Cytochrome P450 family 1",Bromodomain,"Nuclear hormone receptor subfamily 1","Metallo protease","ATP-binding cassette","5HT3 receptor","Lysine demethylase","Protein Kinase","Voltage
-gated calcium channel","SLC06 neurotransmitter transporter family","Inwardly rectifying potassium channel","Monoamine receptor","Glycohormone receptor","Cytochrome P450 family 2D","Cytochrome P450 fa
mily 3A","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group F","Metallo protease MAE clan","ABCB subfamily","Short peptide receptor (family A GPCR)","Jumonji domain-containing","N
uclear hormone receptor subfamily 1 group A","SLC22 family of organic cation and anion transporters","Atypical protein kinase group","Dopamine receptor","Histamine receptor","Serotonin receptor","Adre
nergic receptor","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M34 family","Acetylcholine receptor","Neuro
peptide receptor","Nuclear hormone receptor subfamily 1 group A member 2","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Transporters,"Ion channels",Receptors,Enzymes,"Other protein targets","SLC superfamily of solute carriers","Voltage-gated ion channels","G protein-coupled receptors","Cytochrome P450","Inositol phosp
hate turnover","Nuclear hormone receptors","ATP-binding cassette transporter family","Ligand-gated ion channels","Anti-infective targets","Chromatin modifying enzymes","Sigma receptors","Kinases (EC 2
.7.x.x)","SLC6 neurotransmitter transporter family","Potassium channels","Dopamine receptors","Histamine receptors","5-Hydroxytryptamine receptors",Adrenoceptors,"Glycoprotein hormone receptors","CYP2
 family: drug metabolising subset","Inositol monophosphatase","CYP3 family","CYP1 family","1F. Retinoic acid-related orphans","Acetylcholine receptors (muscarinic)","ABCB subfamily","Neuropeptide S re
ceptor","5-HT<sub>3</sub> receptors","Viral protein targets","1.14.11.- Histone demethylases","1A. Thyroid hormone receptors","SLC22 family of organic cation and anion transporters",Atypical,"Voltage-
gated calcium channels","Monoamine transporter subfamily","Inwardly rectifying potassium channels","Coronavirus (CoV) proteins","Organic cation transporters (OCT)","Phosphatidyl inositol 3' kinase-rel
ated kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Signal Transduction",Metabolism,"Cell Cycle","Gene expression (Transcription)",Hemostasis,"Developmental Biology","Vesicle-mediated transport","Metabolism of proteins","Tra
nsport of small molecules","Disorders of transmembrane transporters","Transmission across Chemical Synapses","Signaling by GPCR","Infectious disease","Biological oxidations","Inositol phosphate metabo
lism","Cell Cycle Checkpoints","Metabolism of lipids","RNA Polymerase II Transcription","Platelet activation","signaling and aggregation",Mitotic,"Nervous system development","Membrane Trafficking","P
ost-translational protein modification","SLC-mediated transmembrane transport","SLC transporter disorders","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","Leis
hmania infection","Neurotransmitter clearance","Phase I - Functionalization of compounds","Synthesis of IP2",IP,"and Ins in the cytosol","G1/S DNA Damage Checkpoints","Biosynthesis of specialized pror
esolving mediators (SPMs)","Generic Transcription Pathway","Platelet Aggregation (Plug Formation)","Uptake and actions of bacterial toxins","Metabolism of steroids","Regulation of mitotic cell cycle",
"SARS-CoV Infections","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","trans-Golgi Network Vesicle Budding",SUMOylation,"Transport of bile salts and organic acids","metal io
ns and amine compounds","Axon guidance","Phase II - Conjugation of compounds","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","GABA receptor activation","Class A/1 (Rhodopsin-like re
ceptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","Leishmania parasite growth and survival","Serotonin clearance from the synaptic cleft","Cytochrome P450 - arranged by substrate type",
"p53-Dependent G1/S DNA damage checkpoint","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX3","Uptake and function of anthrax toxins","Bile acid and bile salt metabolism","APC/C-
mediated degradation of cell cycle proteins","SARS-CoV-1 Infection","Mitotic Metaphase and Anaphase","Golgi Associated Vesicle Biogenesis","Activation of NMDA receptors and postsynaptic events","SUMO 
E3 ligases SUMOylate target proteins","Potential therapeutics for SARS","Organic cation/anion/zwitterion transport","Transcriptional Regulation by TP53","NCAM signaling for neurite out-growth","Glutat
hione conjugation","GABA B receptor activation","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"p53-Dependent G1 DNA Damage Response"
,"Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","Synthesis of bile acids and bile salts","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins"
,"SARS-CoV-1 Genome Replication and Transcription","Mitotic Anaphase","Post NMDA receptor activation events","SUMOylation of intracellular receptors","Organic cation transport","Regulation of TP53 Act
ivity","NCAM1 interactions","Activation of GABAB receptors","Dopamine receptors","Histamine receptors","Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors,"CY
P2E1 reactions","Stabilization of p53","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors","Synthesis of bile ac
ids and bile salts via 7alpha-hydroxycholesterol","APC/C:Cdc20 mediated degradation of mitotic proteins","Replication of the SARS-CoV-1 genome","Nuclear Envelope (NE) Reassembly","Activation of AMPK d
ownstream of NMDARs","Regulation of TP53 Expression and Degradation","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Autodegradation of the E3 ubiquitin ligase COP1","APC:Cdc20 
mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","Cdc20:Phospho-APC/C m
ediated degradation of Cyclin A"}

> <broad_targets>
{GSTP1,HTR2A,HTR2B,HTR2C,SLC6A2,SLC6A3,SLC6A4}

> <broad_moa>
{"serotonin transporter (SERT) inhibitor"}

> <synonyms>
{732177,"Clomipramine hydrochloride",17321-77-6,17321776,"Clomipramine HCL",Anafranil,"3-Chloroimipramine hydrochloride","3Chloroimipramine hydrochloride","Chloroimipramine monohydrochloride",UNII-2LX
W0L6GWJ,UNII2LXW0L6GWJ,"Chlorimipramine hydrochloride","Clomipramine (hydrochloride)","Clomipramine Monohydroc",T0255,SAM002264601,2300061,Prestw-269,CPD000058295,"CLOMIPRAMINE HYDROCHLORIDE"}

> <pdid>
PD009943

> <targets>
{}

> <classes>
{antidepressant}

> <pubchem_cids>
{68539,25010313,25210450,657299}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 12  0  0  0  0            999 V2000
   15.2999    1.5088    0.0000 Li  0  3
   12.7999    1.5088    0.0000 Li  0  3
   10.2999    1.5088    0.0000 Li  0  3
    3.9000    2.2500    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.5986   -1.5008    0.0000 C   0  0
    3.8971   -2.2516    0.0000 O   0  5
    1.2993   -2.2504    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  5
    7.7992    0.0004    0.0000 O   0  0
    2.5761    1.5169    0.0000 C   0  0
    1.2762    0.7683    0.0000 O   0  5
    2.5773    3.0169    0.0000 O   0  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 14 16  2  0
M  CHG  6   1   1   2   1   3   1   8  -1  12  -1  15  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11247

> <plate>
PLATE 004

> <well>
F7

> <supplier_cmpd_name>
Lithium citrate tribasic tetrahydrate

> <ctcr_id>
6617

> <supplier_cmpd_id>
T0256

> <smiles>
[Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Lithium citrate","Trilithium citrate",919-16-4,919164,"Citric acid trilithium salt","Lithium citrate anhydrous","CITRIC ACID, TRILITHIUM SALT","Lithium citrate tribasic tetrahydrate",1,2,"3-Propanet
ricarboxylic acid","3Propanetricarboxylic acid",2-hydroxy-,2hydroxy,"trilithium sal",T0256,T3605,1504269,Gastrodenol,"LITHIUM CITRATE"}

> <pdid>
PD009021

> <targets>
{}

> <classes>
{antidepressant}

> <pubchem_cids>
{13520,5129076}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11248

> <plate>
PLATE 004

> <well>
F8

> <supplier_cmpd_name>
Chromocarbe

> <ctcr_id>
6158

> <supplier_cmpd_id>
T0259

> <smiles>
OC(=O)C1=CC(=O)c2ccccc2O1

> <pd_targets>
{KDM4E}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{antispasmodic}

> <synonyms>
{4940-39-0,4940390,"Chromone-2-carboxylic acid","Chromone2carboxylic acid","4-Oxo-4H-chromene-2-carboxylic acid","4Oxo4Hchromene2carboxylic acid","4-Oxo-4H-1-benzopyran-2-carboxylic acid","4Oxo4H1benz
opyran2carboxylic acid",Atremon,"4-Oxochromene-2-carboxylic acid","4Oxochromene2carboxylic acid","Chromonecarboxylic acid",LP-1,LP1,"4H-1-BENZOPYRAN-2-CARBOXYLIC ACID","4H1BENZOPYRAN2CARBOXYLIC ACID",
4-OXO,4OXO,T0259,1503044,Chromocarbe,CHROMOCARB}

> <pdid>
PD001098

> <targets>
{}

> <classes>
{"vascular protectant"}

> <pubchem_cids>
{2741}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 41  0  0  1  0            999 V2000
    5.7014   -3.0617    0.0000 C   0  0
    5.2600   -4.4953    0.0000 C   0  0
    6.2812   -5.5941    0.0000 O   0  0
    3.7969   -4.8296    0.0000 O   0  0
    2.7751   -3.7302    0.0000 C   0  0
    1.3120   -4.0645    0.0000 C   0  0
    0.8706   -5.4981    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
   -0.3666   -4.3062    0.0000 O   0  0
    0.7315   -5.3280    0.0000 C   0  0
    0.0218   -6.6946    0.0000 C   0  0
    1.0365   -7.7994    0.0000 C   0  0
    2.4007   -7.1758    0.0000 C   0  0
    2.2293   -5.6856    0.0000 C   0  0
    2.0426   -4.5993    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    0.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  8  6  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 10 15  1  0
 16 15  1  1
 16  8  1  0
 16 17  1  0
 18 17  1  6
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  3
 27 28  1  0
 28 22  1  0
 28 29  1  6
 28 30  1  0
 30 19  1  0
 30 31  1  1
 30 32  1  0
 32 33  1  6
 32 34  1  0
 34 35  1  0
 35  8  1  0
 35 18  1  0
 35 36  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11249

> <plate>
PLATE 004

> <well>
F9

> <supplier_cmpd_name>
Amcinonide

> <ctcr_id>
232

> <supplier_cmpd_id>
T0261

> <smiles>
CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]24C

> <pd_targets>
{RORC,HIF1A,NPSR1,NR3C1,ANXA1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Membrane receptor","Ion channel","Nuclear receptor",Protease,"Family A G protein-coupled receptor","Other ion channel","Nuclear hormone receptor subfamily 1","Cysteine 
protease","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 3",Annexin,"Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","Short peptide receptor (family A
 GPCR)","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C1A family","Neuropeptide receptor","Nuclear hormone receptor subfamil
y 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","G protein-coupled receptors","1F. Retinoic acid-related orphans","Neuropeptide S receptor","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cellular responses to external stimuli",Disease,"Signal Transduction","RNA Polymerase II Transcription","Cellular responses to stress","Infectious disease","Signali
ng by GPCR","Generic Transcription Pathway","Cellular response to hypoxia","Leishmania infection","GPCR ligand binding","Transcriptional regulation by RUNX3","Oxygen-dependent proline hydroxylation of
 Hypoxia-inducible Factor Alpha","Leishmania parasite growth and survival","FOXO-mediated transcription","Class A/1 (Rhodopsin-like receptors)","RUNX3 Regulates Immune Response and Cell Migration","An
ti-inflammatory response favouring Leishmania parasite infection","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Peptide ligand-binding receptors","ADORA2B mediated 
anti-inflammatory cytokines production","Formyl peptide receptors bind formyl peptides and many other ligands"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{RESTW147,amcinonide,51022-69-6,51022696,Cyclocort,Amcinonidum,Triamcinolonacetatcyclopentanonid,CL-34699,CL34699,Visderm,"CL 34699",UNII-423W026MA9,UNII423W026MA9,MLS000028656,MLS001333715,CHEBI:3119
9,423W026MA9,Amcinonido,SMR000058920,amcinonida,"Amcinonidum (INN-Latin)","Amcinonidum (INNLatin)",Prestw-1476,Amcinonide}

> <pdid>
PD000863

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{443958}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    8.8990   -2.2500    0.0000 Na  0  3
    6.3990   -2.2500    0.0000 Na  0  3
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 Hg  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  5
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Br  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
   -2.5981   -6.0000    0.0000 C   0  0
   -2.5981   -7.5000    0.0000 O   0  5
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 Br  0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -4.1246   -1.2830    0.0000 O   0  0
   -4.4365    0.1842    0.0000 C   0  0
   -5.8068    0.7943    0.0000 O   0  0
   -3.1375    0.9342    0.0000 C   0  0
   -2.8263    2.4002    0.0000 C   0  0
   -1.3997    2.8638    0.0000 C   0  0
   -0.2850    1.8601    0.0000 C   0  0
   -0.5968    0.3929    0.0000 C   0  0
   -2.0228   -0.0694    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 12  5  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 14  1  0
 21 22  1  0
 22 11  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 22  1  0
 31 26  1  0
M  CHG  4   1   1   2   1   7  -1  17  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11250

> <plate>
PLATE 004

> <well>
F10

> <supplier_cmpd_name>
Merbromin

> <ctcr_id>
1282

> <supplier_cmpd_id>
T0265

> <smiles>
[Na+].[Na+].O[Hg]c1c([O-])c(Br)cc2c1Oc3cc([O-])c(Br)cc3C24OC(=O)c5ccccc45

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Prestw_787,"Prestw 787",Merbromin,Prestw-787}

> <pdid>
PD013347

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{102248350}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  0  0            999 V2000
   10.0973   -2.4974    0.0000 O   0  0
    7.5973   -2.4974    0.0000 O   0  0
    5.0973   -2.4974    0.0000 Cl  0  0
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6011   -3.0008    0.0000 C   0  0
   -1.3034   -3.7531    0.0000 O   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -5.2543   -3.7682    0.0000 C   0  0
   -5.9566   -4.8723    0.0000 C   0  0
   -5.6210   -6.4853    0.0000 C   0  0
   -4.1837   -6.4949    0.0000 C   0  0
   -4.6196   -4.9421    0.0000 N   0  0
   -6.3787   -4.4464    0.0000 C   0  0
   -7.5325   -4.6595    0.0000 C   0  0
   -9.0161   -4.7852    0.0000 C   0  0
   -9.8720   -3.5533    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  1  0
 24 25  2  0
 13 26  1  0
 26  9  1  0
 26 27  2  0
 27  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11251

> <plate>
PLATE 004

> <well>
F11

> <supplier_cmpd_name>
Quinidine hydrochloride

> <ctcr_id>
690

> <supplier_cmpd_id>
T0266

> <smiles>
O.O.Cl.COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1

> <pd_targets>
{AMPC,CYP2D6,KCNT1,SCN5A,CYP3A4,ABCB1,TSHR,BCHE,SCN1A,SCN2A,SCN3A,CYP2D1,KCND2,CYP2D26,KCNA5,SLC29A4,KCNH2,CYP2C9,CYP2D3,ALDH1A1,KCNH1,CYP2D4,TDP1,KCNA7,ABCC4,ABCB1B,SLC22A1,CACNA1C,SLCO1A1,SLC22A2,SL
C47A1,ABCB1A,CACNA1D,CACNA1F,CACNA1S,KCNK5,KCNT2,KCNK10,KCNH5,KCNU1,KCNK16,KCNA4,KCNK1,KCNK6,ADRA1A,ADRA1B,ADRA1D,SCN10A,SCN11A,SCN4A,SCN7A,SCN8A,SCN9A,HSD17B10,CHRM1,KCNB2,KCNK2,ABCB11,SLCO1A4,GP9,KC
NN4,KDM4E,THRB}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transporter,"Membrane receptor","Unclassified protein",Hydrolase,"Cytochrome P450","Voltage-gated ion channel","Primary active transporter","Family A G protein-coupled receptor",
"Electrochemical transporter",Oxidoreductase,"Cytochrome P450 family 2","Voltage-gated sodium channel","Cytochrome P450 family 3","ATP-binding cassette","Peptide receptor (family A GPCR)","Potassium c
hannels","SLC superfamily of solute carriers","Voltage-gated calcium channel","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2D","Cytochrome P450 family 3A","ABCB subfamily","Glycoh
ormone receptor","Voltage-gated potassium channel","SLC28 and SLC29 families of nucleoside transporters","Cytochrome P450 family 2C","ABCC subfamily","SLC22 family of organic cation and anion transpor
ters","SLC21/SLCO family of organic anion transporting polypeptides","SLC47 family of multidrug and toxin extrusion transporters","Two-pore domain potassium channel","Monoamine receptor","Cytochrome P
450 2D6","Cytochrome P450 3A4","Cytochrome P450 2D1","Cytochrome P450 2D2","SLC29 Facilitative nucleoside transporter family","Cytochrome P450 2C9","Cytochrome P450 2D3","Cytochrome P450 2D18","Adrene
rgic receptor","Acetylcholine receptor","Epigenetic regulator",Eraser,"Lysine demethylase","Calcium-activated potassium channel","Jumonji domain-containing","Transcription factor","Nuclear receptor","
Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Enzymes,"Ion channels",Transporters,Receptors,"Cytochrome P450","Voltage-gated ion channels","ATP-binding cassette transporter family","G protein-coupled receptors","Acetylcholine turnover","SLC supe
rfamily of solute carriers","CYP2 family: drug metabolising subset","Potassium channels","Voltage-gated sodium channels","CYP3 family","ABCB subfamily","Glycoprotein hormone receptors","SLC28 and SLC2
9 families of nucleoside transporters","ABCC subfamily","SLC22 family of organic cation and anion transporters","Voltage-gated calcium channels","SLC47 family of multidrug and toxin extrusion transpor
ters",Adrenoceptors,"Acetylcholine receptors (muscarinic)","Calcium- and sodium-activated potassium channels","Voltage-gated potassium channels","SLC29 family","Organic cation transporters (OCT)","Two
 P domain potassium channels","Chromatin modifying enzymes","1.14.11.- Histone demethylases","Nuclear hormone receptors","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{Metabolism,"Developmental Biology",Disease,"Muscle contraction","Neuronal System","Transport of small molecules","DNA Repair",Hemostasis,Reproduction,"Signal Transduction","Biological oxidations","Ne
rvous system development","Metabolism of lipids","Abacavir transport and metabolism","Infectious disease","Cardiac conduction","Potassium Channels","SLC-mediated transmembrane transport","DNA Double-S
trand Break Repair","Platelet activation","signaling and aggregation",Fertilization,"Signaling by GPCR","Metabolism of amino acids and derivatives","Phase I - Functionalization of compounds","Axon gui
dance","Biosynthesis of specialized proresolving mediators (SPMs)","Abacavir transmembrane transport","Leishmania infection","Phospholipid metabolism","Phase 1 - inactivation of fast Na+ channels","Vo
ltage gated Potassium channels","Transport of vitamins",nucleosides,"and related molecules","Phase 3 - rapid repolarisation","Nonhomologous End-Joining (NHEJ)","Response to elevated platelet cytosolic
 Ca2+","Transport of bile salts and organic acids","metal ions and amine compounds","Phase 4 - resting membrane potential","Tandem pore domain potassium channels","Sperm Motility And Taxes","GPCR liga
nd binding","Branched-chain amino acid catabolism","Cytochrome P450 - arranged by substrate type","L1CAM interactions","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Gly
cerophospholipid biosynthesis","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane","Ethanol oxidation","Platelet degranulation","Organic cation/anion/zwitterion 
transport","NCAM signaling for neurite out-growth","TWIK related potassium channel (TREK)","TWIK-related alkaline pH activated K+ channel (TALK)","Tandem of pore domain in a weak inwardly rectifying K
+ channels (TWIK)","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Interaction between L1 and Ankyrins","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infecti
on","Synthesis of PC","Organic cation transport","NCAM1 interactions","Amine ligand-binding receptors","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytoki
nes production",Adrenoceptors,"Muscarinic acetylcholine receptors","Diseases of hemostasis","Metabolism of steroids","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Ca2
+ activated K+ channels","Bile acid and bile salt metabolism","Defective factor IX causes hemophilia B","Synthesis of bile acids and bile salts","Defective F9 activation","Synthesis of bile acids and 
bile salts via 7alpha-hydroxycholesterol","Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of intracellular recep
tors"}

> <broad_targets>
{GP9,KCNB2,KCNN4,SLC29A4}

> <broad_moa>
{"hemozoin biocrystallization inhibitor"}

> <synonyms>
{6119-47-7,6119477,"Quinine hydrochloride dihydrate",CCG-208069,CCG208069,LS-14813,LS14813,DB-072905,DB072905,A833083,T4333,T0266,S2502,"Quinine dihydrochloride","Quinidine hydrochloride","Quinine HCl
 Dihydrate"}

> <pdid>
PD001767

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{21954274,53395171}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    1.2443   -5.8182    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 S   0  0
   -1.2250   -6.6252    0.0000 O   0  0
    0.2425   -6.9344    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  6  1  0
 14  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11252

> <plate>
PLATE 004

> <well>
G2

> <supplier_cmpd_name>
Zonisamide

> <ctcr_id>
4313

> <supplier_cmpd_id>
T0267

> <smiles>
N[S](=O)(=O)Cc1noc2ccccc12

> <pd_targets>
{NFO,BLM,CA2,CA9,CA12,CA1,CA15,CA4,CA7,CA13,CA14,CYNT,CA5B,MAO,CA6,MTCA1,CA5A,CA3,NCE103,MAOB,LMNA,1272966,MTCA2,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,SCN1B,SCN2B,SCN3B,SCN4B,C
ACNA1G,CACNA1H,CACNA1I,CA8,CA10,CA11,MAOA}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Ion channel","Unclassified protein",Hydrolase,Lyase,Oxidoreductase,"Voltage-gated ion channel","Voltage-gated sodium channel","Voltage-gated calcium channel"}

> <pathway_chembl>
{Enzymes,"Ion channels","Carbonic anhydrases","Catecholamine turnover","Voltage-gated ion channels","Voltage-gated sodium channels","Voltage-gated calcium channels"}

> <pathway_reactome>
{"DNA Repair","Transport of small molecules","Cellular responses to external stimuli",Metabolism,"Immune System","Cell Cycle","Developmental Biology","DNA Double-Strand Break Repair","O2/CO2 exchange 
in erythrocytes","Cellular responses to stress","Reversible hydration of carbon dioxide","Cytokine Signaling in Immune system","Biological oxidations",Mitotic,"Nervous system development","Homology Di
rected Repair","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","Signaling by Interleukins","Phase I - Functionalization of compounds","M Phase","Axon guidance",
"HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 family signaling","Amine Oxidase reactions","M
itotic Metaphase and Anaphase","L1CAM interactions","NCAM signaling for neurite out-growth","HDR through Homologous Recombination (HRR)","Interleukin-12 signaling","Biogenic amines are oxidatively dea
minated to aldehydes by MAOA and MAOB","Mitotic Anaphase","Interaction between L1 and Ankyrins","NCAM1 interactions","Homologous DNA Pairing and Strand Exchange","Gene and protein expression by JAK-ST
AT signaling after Interleukin-12 stimulation","Nuclear Envelope (NE) Reassembly","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CA1,CA10,CA11,CA12,CA13,CA14,CA2,CA3,CA4,CA5A,CA5B,CA6,CA7,CA8,CA9,CACNA1G,CACNA1H,CACNA1I,MAOA,MAOB,SCN10A,SCN11A,SCN1A,SCN1B,SCN2A,SCN2B,SCN3A,SCN3B,SCN4A,SCN4B,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"sodium channel blocker","T-type calcium channel blocker"}

> <synonyms>
{zonisamide,68291-97-4,68291974,Zonegran,"1,2-Benzisoxazole-3-methanesulfonamide","1,2Benzisoxazole3methanesulfonamide","1,2-benzoxazol-3-ylmethanesulfonamide","1,2benzoxazol3ylmethanesulfonamide",Exc
eglan,Excegram,"Zonisamidum (Latin)","Zonisamida (Spanish)",AD-810,AD810,Zonisamida,Zonisamidum,CI-912,CI912,3-(Sulfamoylmethyl)-1,3(Sulfamoylmethyl)1,2-benzi,2benzi,T0267,SAM002548957,Prestw-1162,Zon
isamide,CPD000596519}

> <pdid>
PD002942

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5734,11967800}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  1  0            999 V2000
   10.2985   -2.2535    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
    2.6003    1.4978    0.0000 C   0  0
    3.8990    0.7455    0.0000 C   0  0  2  0  0  0
    3.8964   -0.7545    0.0000 O   0  0
    5.2003    1.4932    0.0000 C   0  0
    6.4994    0.7433    0.0000 C   0  0
    7.7985    1.4933    0.0000 C   0  0
    7.7985    2.9933    0.0000 C   0  0
    6.4995    3.7433    0.0000 C   0  0
    5.2004    2.9933    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  1
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  4 18  1  1
 18 19  1  0
 19 20  1  1
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11253

> <plate>
PLATE 004

> <well>
G3

> <supplier_cmpd_name>
Lobeline hydrochloride

> <ctcr_id>
2286

> <supplier_cmpd_id>
T0268

> <smiles>
Cl.CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@H](O)c3ccccc3

> <pd_targets>
{NFO,SLC18A2,CHRNA10,CHRNA2,CHRNA3,CHRNA4,CHRNA5,CHRNA6,CHRNA7,CHRNA9,CHRNB2,CHRNB3,CHRNB4,LMNA,HTR2A,CHRNA1,HRH1,CYP2D6,SLC6A4,NACHRALPHA5,SLC6A3}

> <pathway_gtopdb>
{Enzyme,Transporter,"Ion channel","Other nuclear protein","Membrane receptor","Unclassified protein",Hydrolase,"Electrochemical transporter","Ligand-gated ion channel","Family A G protein-coupled rece
ptor","Cytochrome P450","SLC superfamily of solute carriers","Nicotinic acetylcholine receptor","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","SLC18 family of vesicular amine tr
ansporters","Nicotinic acetylcholine receptor alpha subunit","Monoamine receptor","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","Serotonin receptor","Histamine receptor","Cyt
ochrome P450 2D6"}

> <pathway_chembl>
{Transporters,"Ion channels",Receptors,Enzymes,"SLC superfamily of solute carriers","Ligand-gated ion channels","G protein-coupled receptors","Cytochrome P450","SLC18 family of vesicular amine transpo
rters","Nicotinic acetylcholine receptors","5-Hydroxytryptamine receptors","Histamine receptors","CYP2 family: drug metabolising subset","SLC6 neurotransmitter transporter family","Monoamine transport
er subfamily"}

> <pathway_reactome>
{"Neuronal System","Cell Cycle","Signal Transduction",Metabolism,Disease,"Transmission across Chemical Synapses",Mitotic,"Signaling by GPCR","Biological oxidations","Disorders of transmembrane transpo
rters","Neurotransmitter release cycle","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","GPCR ligand binding","Phase I - Functionalization of compounds","Neurotransmitter c
learance","SLC transporter disorders","Dopamine Neurotransmitter Release Cycle","Acetylcholine binding and downstream events","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","C
ytochrome P450 - arranged by substrate type","Serotonin clearance from the synaptic cleft","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Postsynaptic nicotinic acetylcholine recep
tors","Mitotic Anaphase","Amine ligand-binding receptors",Xenobiotics,"Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Nuclear Envelope (NE) Reassembly","Serotonin receptors"
,"Histamine receptors","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CHRNA10,CHRNA9,SLC18A2}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{CCG-101032,CCG101032,"LOBELINE HYDROCHLORIDE","alpha-Lobeline hydrochloride","alphaLobeline hydrochloride",134-63-4,134634,"Lobeline HCl","(-)-Lobeline hydrochloride","()Lobeline hydrochloride","Lobe
line (hydrochloride)",UNII-96J834CB88,UNII96J834CB88,Zoolobelin,"Lobeline hydrochloride (JAN)",MLS000069392,MFCD00082455,96J834CB88,T0268,SAM001247050,"Lobeline hydrochloride",CPD000058465}

> <pdid>
PD008645

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{657330,101615}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
    5.0987   -2.2518    0.0000 Na  0  3
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -5.1954   -3.0153    0.0000 C   0  0
   -5.2033   -1.5153    0.0000 O   0  5
   -6.4908   -3.7717    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
  8 19  2  0
 19  3  1  0
 19 20  1  0
M  CHG  2   1   1  17  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11254

> <plate>
PLATE 004

> <well>
G4

> <supplier_cmpd_name>
Meclofenamate Sodium

> <ctcr_id>
6050

> <supplier_cmpd_id>
T0260

> <smiles>
[Na+].Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"MECLOFENAMATE SODIUM",6385-02-0,6385020,Meclomen,"Sodium meclofenamate",Meclonax,Movens,"Meclofenamic acid sodium salt","Meclofenamic acid sodium","Meclofenamate (sodium)",MECLODIUM,"Sodium 2-((2,6-
dichloro-3-methylphenyl)amino)benzoate","Sodium 2((2,6dichloro3methylphenyl)amino)benzoate",UNII-9MMQ0Y,UNII9MMQ0Y,T0260,SAM002548942,1500377,"Meclofenamate Sodium",CPD000058785}

> <pdid>

> <targets>
{}

> <classes>
{antiinflammatory,antipyretic}

> <pubchem_cids>
{4038}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    3.2993   -4.4944    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    5.6947   -3.4326    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 O   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 F   0  0
   -2.5983   -3.0004    0.0000 F   0  0
   -3.8975   -2.2510    0.0000 F   0  0
   -2.5973    1.5031    0.0000 N   0  3
   -3.8976    0.7553    0.0000 O   0  5
   -2.5951    3.0031    0.0000 O   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.6120   -3.9767    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 11 18  1  0
 18 19  1  0
 18 20  2  0
  7 21  1  0
 21  2  1  0
 21 22  2  0
M  CHG  2  18   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11255

> <plate>
PLATE 004

> <well>
G5

> <supplier_cmpd_name>
Nilutamide

> <ctcr_id>
5028

> <supplier_cmpd_id>
T0272

> <smiles>
CC1(C)NC(=O)N(c2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)C1=O

> <pd_targets>
{CYP2D6,TSHR,AR,LMNA,NFKB1,CYP2C19,RORC,CYP3A4,CYP2C9,ALOX12,CHRM1,KMT2A,MEN1,CYP1A2,TP53,NPSR1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Transcription factor","Other nuclear protein","Other cytosolic protein","Epigenetic regulator","Cytochrome P450","Family A G protein-coupled receptor","Nuclear receptor",R
eader,"Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Small molecule receptor (f
amily A GPCR)",Bromodomain,"Cytochrome P450 family 1","Cytochrome P450 family 2D","Glycohormone receptor","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 family 2C","Nuclear hormone re
ceptor subfamily 1 group F","Cytochrome P450 family 3A","Monoamine receptor","Cytochrome P450 family 1A","Short peptide receptor (family A GPCR)","Cytochrome P450 2D6","Nuclear hormone receptor subfam
ily 3 group C member 4","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cytochrome P450 2C9","Acetylcholine receptor","Cytochrome P450 1A1","Neuro
peptide receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Nuclear hormone receptors","Eicosanoid turnover","CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","Steroid h
ormone receptors","1F. Retinoic acid-related orphans","CYP3 family",Lipoxygenases,"Acetylcholine receptors (muscarinic)","CYP1 family","Neuropeptide S receptor","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{Metabolism,Disease,"Gene expression (Transcription)","Cell Cycle","Immune System","Signal Transduction","Biological oxidations","Infectious disease","RNA Polymerase II Transcription",Mitotic,"Cytokin
e Signaling in Immune system","Metabolism of lipids","Signaling by GPCR","Cell Cycle Checkpoints","Phase I - Functionalization of compounds","Leishmania infection","Generic Transcription Pathway","M P
hase","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","G1/S DNA Damage Checkpoints","Cytochrome P450 - arranged by substrate type","Leishm
ania parasite growth and survival","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Interleukin-1 family signaling","Transcriptional regulation by RUNX3","Biosynthesis of DHA-de
rived SPMs","Biosynthesis of DPA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","p53-Dependent G1/S DNA damage checkpoint",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite i
nfection","RUNX2 regulates bone development","Mitotic Anaphase","Interleukin-1 signaling","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Biosynthesis of DPAn-3 SPMs",
"Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","RUNX2 regulates osteoblast differentiation","Nucle
ar Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived maresins","Muscarinic acetylcholine receptors","Aromatic a
mines can be N-hydroxylated or N-dealkylated by CYP1A2","Stabilization of p53","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{AR}

> <broad_moa>
{"androgen receptor antagonist"}

> <synonyms>
{63612-50-0,63612500,Anandron,Nilandron,"5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)imidazolidine-2,4-dione","5,5dimethyl3(4nitro3(trifluoromethyl)phenyl)imidazolidine2,4dione",Nilutamida,Nilut
amidum,RU-23908,RU23908,"RU 23908","5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin","5,5Dimethyl3(alpha,alpha,alphatrifluoro4nitromtolyl)hydantoin",Nilandrone,U,T0272,1504152,Pr
estw-928,Nilutamide,NILUTAMIDE}

> <pdid>
PD001255

> <targets>
{}

> <classes>
{antiandrogen}

> <pubchem_cids>
{4493}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.7124   -4.0030    0.0000 O   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -1.6105   -5.2165    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  2  0
 17 18  1  0
 18 19  2  0
 19  3  1  0
 19 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11256

> <plate>
PLATE 004

> <well>
G6

> <supplier_cmpd_name>
Cinoxacin

> <ctcr_id>
3761

> <supplier_cmpd_id>
T0274

> <smiles>
CCN1N=C(C(O)=O)C(=O)c2cc3OCOc3cc12

> <pd_targets>
{LMNA,TSHR,NS1,BLM,ALDH1A1,PMP22,KDM4E,GYRA,GYRB}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor","Unclassified protein",Enzyme,"Epigenetic regulator","Family A G protein-coupled receptor",Oxidoreductase,Eraser,Isomerase,"Peptide receptor (family A GPCR
)","Lysine demethylase","Glycohormone receptor","Jumonji domain-containing"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Chromatin modifying enzymes","Glycoprotein hormone receptors","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cell Cycle",Disease,"DNA Repair",Metabolism,"Developmental Biology",Mitotic,"Infectious disease","DNA Double-Strand Break Repair","Biological oxidations","Nervous system development","M Phase","Leis
hmania infection","Homology Directed Repair","Phase I - Functionalization of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Mitotic Metaphase and Anaphase","Leishmania pa
rasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasi
te infection","HDR through Homologous Recombination (HRR)","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing and Strand Exchange","In
itiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{RESTW78,cinoxacin,28657-80-9,28657809,Cinobac,"Compound 64716",Cinobactin,Cinoxacine,Cinoxacino,Cinoxacinum,Uronorm,Cinx,UNII-LMK22VUH23,UNIILMK22VUH23,"1-Ethyl-6,7-methylenedioxy-4(1H)-oxocinnoline-
3-carboxylic acid","1Ethyl6,7methylenedioxy4(1H)oxocinnoline3carboxylic acid","NSC 304467",MLS000069630,1-ethyl-4-oxo-(1,1ethyl4oxo(1,3)dioxolo(4,5-,5,T0274,1500190,Prestw-780,Cinoxacin,CINOXACIN}

> <pdid>
PD002418

> <targets>
{Antibiotic,Bacterial}

> <classes>
{antibacterial,Anti-infection}

> <pubchem_cids>
{2762}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 S   0  0
   -2.5627    0.0004    0.0000 O   0  0
   -3.8792    2.2803    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 S   0  0
    1.2993   -3.7504    0.0000 N   0  0
   -1.2986   -3.7517    0.0000 O   0  0
    0.0007   -4.5008    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11  4  2  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 14 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11257

> <plate>
PLATE 004

> <well>
G7

> <supplier_cmpd_name>
Meticrane

> <ctcr_id>
1448

> <supplier_cmpd_id>
T0275

> <smiles>
Cc1cc2CCC[S](=O)(=O)c2cc1[S](N)(=O)=O

> <pd_targets>
{LMNA}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{diuretic}

> <synonyms>
{RESTW1,meticrane,1084-65-7,1084657,"6-Methylthiochroman-7-sulfonamide 1,1-dioxide","6Methylthiochroman7sulfonamide 1,1dioxide",UNII-I7EKN1924Q,UNIII7EKN1924Q,"SD 17102",Arresten,I7EKN1924Q,Fontiliz,N
CGC00016561-01,NCGC0001656101,"6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide","6methyl1,1dioxo3,4dihydro2Hthiochromene7sulfonamide",CAS-1084-65-7,CAS1084657,2H-1-Benzothiopyran-7-sulfo,
2H1Benzothiopyran7sulfo,T0275,Prestw-11,Meticrane}

> <pdid>
PD000205

> <targets>
{Chloride Channel,Sodium Channel}

> <classes>
{Membrane Transporter/Ion Channel}

> <pubchem_cids>
{4165}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 35  0  0  1  0            999 V2000
   -7.2226   -5.0795    0.0000 C   0  0
   -6.1714   -4.0094    0.0000 C   0  0
   -4.7181   -4.3840    0.0000 C   0  0
   -3.6663   -3.3134    0.0000 C   0  0
   -2.2130   -3.6880    0.0000 C   0  0
   -1.8114   -5.1333    0.0000 O   0  0
   -1.1612   -2.6174    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.7499   -4.3804    0.0000 C   0  0
    2.2134   -4.7091    0.0000 O   0  0
   -0.2668   -5.4844    0.0000 C   0  0
    0.1798   -6.9164    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 15  1  0
 21 22  1  6
 21 23  1  0
 23 12  1  0
 23 24  1  0
 24 25  1  6
 24 26  1  0
 26 27  1  0
 27  8  1  0
 27 11  1  0
 27 28  1  6
  8 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11258

> <plate>
PLATE 004

> <well>
G8

> <supplier_cmpd_name>
Hydrocortisone Valerate

> <ctcr_id>
6825

> <supplier_cmpd_id>
T0276

> <smiles>
CCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@]12C)C(=O)CO

> <pd_targets>
{HIF1A,KMT2A,NR3C1}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator",Enzyme,Reader,Protease,"Nuclear receptor",Bromodomain,"Cysteine protease","Nuclear hormone receptor subfamily 3","Cysteine protease CA clan","Nuclear hor
mone receptor subfamily 3 group C","Cysteine protease C1A family","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Nuclear hormone receptors","2.1.1.43 Histone methyltransferases (HMTs)","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Gene expression (Transcription)","Cellular responses to stress","RNA Polymerase II Transcription","Cellular response to hypoxia","Generic Transcription Pathw
ay","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX1","FOXO-mediated transcription","RUNX1 regulates genes involved in megakaryocyte diff
erentiation and platelet function","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{HMS2093J15,Pharmakon1600-01505438,Pharmakon160001505438,NSC759133,CCG-213442,CCG213442,NSC-759133,SBI-0206848.P001,SBI0206848.P001,AB01563315_01,AB0156331501,AB01563315-01,"AB01563315 01",SR-05000002
014,SR05000002014,SR-05000002014-1,SR050000020141,BRD-A25143711-001-01-4,BRDA25143711001014,T0276,1505438,"Hydrocortisone Valerate","HYDROCORTISONE VALERATE"}

> <pdid>
PD000409

> <targets>
{}

> <classes>
{glucocorticoid,antiinflammatory}

> <pubchem_cids>
{45006145}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 79 86  0  0  1  0            999 V2000
    0.0025   -1.4944    0.0000 C   0  0
    1.3019   -0.7451    0.0000 C   0  0
    2.6018   -1.4953    0.0000 C   0  0
    3.9004   -0.7446    0.0000 C   0  0
    2.6030   -2.9961    0.0000 C   0  0
    1.3043   -3.7467    0.0000 O   0  0
    3.9028   -3.7463    0.0000 O   0  0
    3.9040   -5.2471    0.0000 C   0  0  2  0  0  0
    5.2052   -5.9934    0.0000 C   0  0  2  0  0  0
    6.5013   -5.2367    0.0000 O   0  0
    6.4949   -3.7358    0.0000 C   0  0
    5.1924   -2.9918    0.0000 C   0  0
    7.7902   -2.9795    0.0000 O   0  0
    5.2095   -7.4934    0.0000 C   0  0  2  0  0  0
    6.5071   -6.7393    0.0000 C   0  0
    7.8087   -7.4848    0.0000 O   0  0
    6.5106   -8.2397    0.0000 C   0  0  2  0  0  0
    7.8075   -7.4860    0.0000 O   0  0
    6.5149   -9.7397    0.0000 C   0  0
    5.2180  -10.4934    0.0000 C   0  0  2  0  0  0
    6.5192  -11.2397    0.0000 C   0  0
    3.9168   -9.7471    0.0000 C   0  0
    2.6199  -10.5008    0.0000 C   0  0
    2.6242  -12.0008    0.0000 C   0  0
    3.9254  -12.7471    0.0000 C   0  0
    3.9296  -14.2471    0.0000 C   0  0  1  0  0  0
    2.6285  -13.5008    0.0000 C   0  0
    2.6327  -15.0008    0.0000 C   0  0
    2.6370  -16.5008    0.0000 C   0  0
    3.9382  -17.2471    0.0000 C   0  0  2  0  0  0
    3.9394  -18.7479    0.0000 O   0  0
    2.6407  -19.5002    0.0000 C   0  0  2  0  0  0
    1.3420  -18.7494    0.0000 O   0  0
    0.0425  -19.4986    0.0000 C   0  0  1  0  0  0
    0.0416  -20.9986    0.0000 C   0  0  1  0  0  0
   -0.9262  -22.1458    0.0000 O   0  0
   -2.4036  -21.8822    0.0000 C   0  0  2  0  0  0
   -2.9110  -20.4705    0.0000 O   0  0
   -4.3872  -20.2041    0.0000 C   0  0  2  0  0  0
   -4.8919  -18.7906    0.0000 C   0  0
   -3.9214  -17.6469    0.0000 O   0  0
   -5.3560  -21.3492    0.0000 C   0  0  1  0  0  0
   -6.8322  -21.0827    0.0000 O   0  0
   -4.8487  -22.7608    0.0000 C   0  0  2  0  0  0
   -5.8176  -23.9060    0.0000 O   0  0
   -3.3726  -23.0273    0.0000 C   0  0  1  0  0  0
   -2.8653  -24.4389    0.0000 O   0  0
    1.3402  -21.7494    0.0000 C   0  0  2  0  0  0
    1.3393  -23.2494    0.0000 O   0  0
    2.6397  -21.0002    0.0000 C   0  0  1  0  0  0
    3.9374  -21.7541    0.0000 O   0  0
    3.9343  -23.2550    0.0000 C   0  0  2  0  0  0
    2.6322  -23.9997    0.0000 O   0  0
    2.6261  -25.4997    0.0000 C   0  0  2  0  0  0
    1.3217  -26.2421    0.0000 C   0  0
    0.0268  -25.4850    0.0000 O   0  0
    3.9220  -26.2550    0.0000 C   0  0  1  0  0  0
    3.9159  -27.7550    0.0000 O   0  0
    5.2241  -25.5104    0.0000 C   0  0  2  0  0  0
    6.5201  -26.2657    0.0000 O   0  0
    5.2303  -24.0104    0.0000 C   0  0  1  0  0  0
    6.5324  -23.2657    0.0000 O   0  0
   -1.2583  -18.7501    0.0000 C   0  0
   -1.2600  -17.2501    0.0000 O   0  0
   -2.5568  -19.5012    0.0000 O   0  0
    5.2351  -16.4934    0.0000 C   0  0  2  0  0  0
    6.5131  -15.7081    0.0000 C   0  0
    5.2028  -17.9735    0.0000 C   0  0
    6.4653  -18.7835    0.0000 O   0  0
    5.2308  -14.9934    0.0000 C   0  0
    6.5277  -14.2397    0.0000 C   0  0
    6.5234  -12.7397    0.0000 C   0  0
    5.2223  -11.9934    0.0000 C   0  0  1  0  0  0
    3.9211  -11.2471    0.0000 C   0  0
    3.9126   -8.2471    0.0000 C   0  0
    2.6114   -7.5008    0.0000 C   0  0
    2.6071   -6.0008    0.0000 C   0  0
    2.6383   -4.5012    0.0000 C   0  0
    1.3283   -6.7848    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  1  0
 11 13  2  0
  9 14  1  0
 14 15  1  1
 15 16  1  0
 14 17  1  0
 17 18  1  6
 17 19  1  0
 19 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  1
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  1
 32 31  1  1
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  6
 37 36  1  1
 37 38  1  0
 38 39  1  0
 39 40  1  1
 40 41  1  0
 39 42  1  0
 42 43  1  6
 42 44  1  0
 44 45  1  1
 44 46  1  0
 46 37  1  0
 46 47  1  6
 35 48  1  0
 48 49  1  1
 48 50  1  0
 50 32  1  0
 50 51  1  6
 52 51  1  1
 52 53  1  0
 53 54  1  0
 54 55  1  1
 55 56  1  0
 54 57  1  0
 57 58  1  6
 57 59  1  0
 59 60  1  1
 59 61  1  0
 61 52  1  0
 61 62  1  6
 34 63  1  1
 63 64  1  0
 63 65  2  0
 30 66  1  0
 66 67  1  6
 66 68  1  0
 68 69  1  0
 66 70  1  0
 70 26  1  0
 70 71  1  0
 71 72  1  0
 72 73  1  0
 73 20  1  0
 73 25  1  0
 73 74  1  1
 22 75  1  0
 75 14  1  0
 75 76  1  0
 76 77  1  0
 77  8  1  0
 77 78  1  0
 77 79  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11259

> <plate>
PLATE 004

> <well>
G9

> <supplier_cmpd_name>
Escin

> <ctcr_id>
2643

> <supplier_cmpd_id>
T0278

> <smiles>
C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O
)[C@H]8O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)C2CC1(C)C

> <pd_targets>
{PROTEASE}

> <pathway_gtopdb>
{Enzyme,Protease,"Cysteine protease","Cysteine protease PAC clan","Cysteine protease C3A subfamily"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"nitric oxide synthase stimulant"}

> <synonyms>
{ETAESCI,beta-Escin,betaEscin,SR-05000002789,SR05000002789,11072-93-8,11072938,Spectrum5_000767,Spectrum5000767,Spectrum5-000767,"Spectrum5 000767",BSPBio_002814,BSPBio002814,BSPBio-002814,"BSPBio 002
814",SPECTRUM1504030,CHEMBL3039196,SCHEMBL18947797,HMS1922B05,Pharmakon1600-01504030,Pharmakon160001504030,CCG-38719,CCG38719,NSC758653,NSC-758653,SDCCGMLS-0066819.P001,SDCCGMLS0066819.P001,NCGC001784
55-01,NCGC0017845501,SBI-0052420.P002,SBI0052420.P002,AB00052928,T6654,T0278,1504030,"Sapogenins Glycosides",Escin,beta-ESCIN}

> <pdid>
PD000760

> <targets>
{}

> <classes>
{"membrane permeabilizer"}

> <pubchem_cids>
{6857783}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 30  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    3.8926   -3.7566    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0  2  0  0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.2982    0.7465    0.0000 O   0  0
   10.2982   -0.7535    0.0000 C   0  0  2  0  0  0
    8.9982   -1.5035    0.0000 C   0  0  1  0  0  0
    8.9982   -3.0035    0.0000 O   0  0
    7.6982   -0.7535    0.0000 C   0  0
    7.6982    0.7465    0.0000 O   0  0
    6.3990   -1.5031    0.0000 O   0  0
   11.5982   -1.5035    0.0000 C   0  0
   11.5982   -3.0035    0.0000 O   0  0
   12.8975   -0.7539    0.0000 O   0  0
   19.2982    0.7465    0.0000 O   0  0
   19.2982   -0.7535    0.0000 C   0  0  2  0  0  0
   17.9982   -1.5035    0.0000 C   0  0  1  0  0  0
   17.9982   -3.0035    0.0000 O   0  0
   16.6982   -0.7535    0.0000 C   0  0
   16.6982    0.7465    0.0000 O   0  0
   15.3989   -1.5031    0.0000 O   0  0
   20.5982   -1.5035    0.0000 C   0  0
   20.5982   -3.0035    0.0000 O   0  0
   21.8974   -0.7539    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  2  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12  6  1  0
 14 13  1  1
 14 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  1  0
 17 19  2  0
 14 20  1  0
 20 21  1  0
 20 22  2  0
 24 23  1  1
 24 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  0
 27 29  2  0
 24 30  1  0
 30 31  1  0
 30 32  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11260

> <plate>
PLATE 004

> <well>
G10

> <supplier_cmpd_name>
Metaraminol bitartrate

> <ctcr_id>
3048

> <supplier_cmpd_id>
T0279

> <smiles>
C[C@H](N)[C@H](O)c1cccc(O)c1.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW19,CHEMBL4303541,HMS2095H15,HMS3712H15,CCG-220197,CCG220197,SR-01000872653,SR01000872653,SR-01000872653-1,SR010008726531,Prestw-197,"Metaraminol bitartrate"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{51371362}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
   -6.1706   -4.0096    0.0000 C   0  0
   -4.7181   -4.3840    0.0000 C   0  0
   -3.6663   -3.3134    0.0000 C   0  0
   -2.2130   -3.6880    0.0000 C   0  0
   -1.8114   -5.1333    0.0000 O   0  0
   -1.1612   -2.6174    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.7499   -4.3804    0.0000 C   0  0
   -0.2673   -5.4828    0.0000 O   0  0
    2.2139   -4.7107    0.0000 C   0  0
    2.6605   -6.1427    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 14  1  0
 20 21  1  6
 20 22  1  0
 22 11  1  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  0
 26  7  1  0
 26 10  1  0
 26 27  1  6
  7 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11261

> <plate>
PLATE 004

> <well>
G11

> <supplier_cmpd_name>
Hydrocortisone butyrate

> <ctcr_id>
1513

> <supplier_cmpd_id>
T0270

> <smiles>
CCCC(=O)O[C@@]1(CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@]12C)C(=O)CO

> <pd_targets>
{HIF1A,KMT2A,NR3C1}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator",Enzyme,Reader,Protease,"Nuclear receptor",Bromodomain,"Cysteine protease","Nuclear hormone receptor subfamily 3","Cysteine protease CA clan","Nuclear hor
mone receptor subfamily 3 group C","Cysteine protease C1A family","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Nuclear hormone receptors","2.1.1.43 Histone methyltransferases (HMTs)","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Gene expression (Transcription)","Cellular responses to stress","RNA Polymerase II Transcription","Cellular response to hypoxia","Generic Transcription Pathw
ay","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX1","FOXO-mediated transcription","RUNX1 regulates genes involved in megakaryocyte diff
erentiation and platelet function","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{Spectrum_001651,Spectrum001651,Spectrum-001651,"Spectrum 001651",Spectrum2_001106,Spectrum2001106,Spectrum2-001106,"Spectrum2 001106",Spectrum3_001589,Spectrum3001589,Spectrum3-001589,"Spectrum3 0015
89",Spectrum4_000581,Spectrum4000581,Spectrum4-000581,"Spectrum4 000581",Spectrum5_001171,Spectrum5001171,Spectrum5-001171,"Spectrum5 001171",BSPBio_003158,BSPBio003158,BSPBio-003158,"BSPBio 003158",K
BioGR_001042,KBioGR001042,KBioGR-001042,"KBioGR 001042",KBioSS_002131,KBioSS002131,KBioSS-002131,"KBioSS 002131",DivK1c_000743,DivK1c000743,DivK1c-000743,"DivK1c 000743",SPECTRUM1503273,SPBio_001212,S
PBio001212,SPBio-001212,"SPBio 001212",HMS502F05,KBio1_000743,KBio1000743,KBio1-000743,"KBio1 000743",KBio2_002131,KBio2002131,KBio2-002131,"KBio2 002131",KBio2_004699,KBio2004699,KBio2-004699,"KBio2 
004699",KBio2_00726,KBio200726,KBio2-00726,"KBio2 00726",T0270,1503273,"Hydrocortisone butyrate","HYDROCORTISONE BUTYRATE"}

> <pdid>
PD001010

> <targets>
{}

> <classes>
{glucocorticoid,antiinflammatory}

> <pubchem_cids>
{5702240}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  0  0            999 V2000
    5.1937   -3.0093    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 I   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 C   0  0
   -1.3070    5.2494    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 I   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 I   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
  9 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 16 20  2  0
 20  6  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11262

> <plate>
PLATE 004

> <well>
H2

> <supplier_cmpd_name>
Iodipamide

> <ctcr_id>
6024

> <supplier_cmpd_id>
T0271

> <smiles>
CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I

> <pd_targets>
{LMNA}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Jodomiron (TN)","Benzoic acid, 3-(acetylamino)-5-((acetylamino)methyl)-2,4,6-triiodo-","Benzoic acid, 3(acetylamino)5((acetylamino)methyl)2,4,6triiodo","3-Acetamido-5-acetamidomethyl-2,4,6-triiodobe
nzoic acid","3Acetamido5acetamidomethyl2,4,6triiodobenzoic acid",Spectrum_001074,Spectrum001074,Spectrum-001074,"Spectrum 001074","3-Acetylaminomethyl-5-acetylamino-2,4,6-triiodobenzoic acid","3Acetyl
aminomethyl5acetylamino2,4,6triiodobenzoic acid",Spectrum2_001070,Spectrum2001070,Spectrum2-001070,"Spectrum2 001070",Spe,1500772,IODIPAMIDE}

> <pdid>
PD009084

> <targets>
{}

> <classes>
{"radioopaque agent"}

> <pubchem_cids>
{3723}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
   10.4996   -2.6110    0.0000 F   0  0
    8.9996   -2.6110    0.0000 C   0  0
    8.2496   -3.9100    0.0000 C   0  0
    6.7496   -3.9099    0.0000 C   0  0
    5.9995   -2.6109    0.0000 C   0  0
    6.7496   -1.3119    0.0000 C   0  0
    8.2496   -1.3119    0.0000 C   0  0
    4.4987   -2.6078    0.0000 C   0  0
    3.7464   -3.9055    0.0000 O   0  0
    3.7501   -1.3070    0.0000 C   0  0
    2.2493   -1.3039    0.0000 C   0  0
    1.5008   -0.0031    0.0000 C   0  0
    0.0000    0.0000    0.0000 N   0  0
   -0.7540    1.2970    0.0000 C   0  0
   -2.2621    1.2970    0.0000 C   0  0
   -3.0162    0.0000    0.0000 C   0  0
   -2.2621   -1.2970    0.0000 C   0  0
   -0.7540   -1.2970    0.0000 C   0  0
   -3.8909    1.2065    0.0000 N   0  0
   -5.3236    0.7390    0.0000 C   0  0
   -5.3236   -0.7540    0.0000 N   0  0
   -3.8909   -1.2065    0.0000 C   0  0
   -3.4207   -2.6309    0.0000 O   0  0
   -3.4273    2.6338    0.0000 C   0  0
   -4.3416    3.8166    0.0000 C   0  0
   -3.7717    5.2042    0.0000 C   0  0
   -2.2852    5.4044    0.0000 C   0  0
   -1.3685    4.2170    0.0000 C   0  0
   -1.9384    2.8295    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  2  0
 19 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11263

> <plate>
PLATE 004

> <well>
H3

> <supplier_cmpd_name>
Spiperone

> <ctcr_id>
5233

> <supplier_cmpd_id>
T0280

> <smiles>
Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4

> <pd_targets>
{NPSR1,GMNN,BLM,PMP22,HRH1,HTR1B,HTR1D,HTR2A,HTR2B,HTR6,HTR7,CYP2C19,DRD2,ADRA1D,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,ADRA1A,AMPC,CYP2D6,SLC18A3,HTR2C,DRD5,ADRA1B,SIGMAR1,HTR1A,HLA-A,ADRA2C,ADRA2A,HTR1F,DRD3
,HIF1A,CYP3A4,HTR5A,DRD4,DRD1,CYP1A2,SCN1A,SCN2A,SCN3A,RECQL,TSHR,MAPK1,HTR1E,ADRA2B,LEF,CSN2,HTR3A,SLC6A4,SLC22A1,LMNA,FFP,HTR5B}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein",Enzyme,Transporter,"Surface antigen","Transcription factor","Ion channel","Secreted protein","Other nuclear protein","Family A G protein-coupled receptor","
Cytochrome P450",Hydrolase,"Electrochemical transporter","Voltage-gated ion channel",Kinase,Protease,"Ligand-gated ion channel",Transferase,"Peptide receptor (family A GPCR)","Small molecule receptor 
(family A GPCR)","Cytochrome P450 family 2","SLC superfamily of solute carriers","Cytochrome P450 family 3","Cytochrome P450 family 1","Voltage-gated sodium channel","Protein Kinase","Metallo protease
","5HT3 receptor","Short peptide receptor (family A GPCR)","Monoamine receptor","Cytochrome P450 family 2C","Cytochrome P450 family 2D","SLC18 family of vesicular amine transporters","Cytochrome P450 
family 3A","Cytochrome P450 family 1A","Glycohormone receptor","CMGC protein kinase group","Metallo protease MAE clan","SLC06 neurotransmitter transporter family","SLC22 family of organic cation and a
nion transporters","Neuropeptide receptor","Histamine receptor","Serotonin receptor","Cytochrome P450 2C19","Dopamine receptor","Adrenergic receptor","Acetylcholine receptor","Cytochrome P450 2D6","Cy
tochrome P450 3A4","Cytochrome P450 1A1","CMGC protein kinase MAPK family","Metallo protease M34 family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Other protein targets","Ion channels","G protein-coupled receptors","Cytochrome P450","SLC superfamily of solute carriers","Sigma receptors","Kinases (EC 2.7.x.x)","Li
gand-gated ion channels","Neuropeptide S receptor","Histamine receptors","5-Hydroxytryptamine receptors","CYP2 family: drug metabolising subset","Dopamine receptors",Adrenoceptors,"Acetylcholine recep
tors (muscarinic)","SLC18 family of vesicular amine transporters","CYP3 family","CYP1 family","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-HT<sub>3</sub> recepto
rs","SLC6 neurotransmitter transporter family","SLC22 family of organic cation and anion transporters","Mitogen-activated protein kinases (MAP kinases)","Monoamine transporter subfamily","Organic cati
on transporters (OCT)","ERK subfamily"}

> <pathway_reactome>
{Disease,"Cell Cycle","DNA Repair","Developmental Biology","Signal Transduction",Metabolism,"Neuronal System","Immune System","Cellular responses to external stimuli","Transport of small molecules","I
nfectious disease",Mitotic,"DNA Double-Strand Break Repair","Nervous system development","Signaling by GPCR","Biological oxidations","Transmission across Chemical Synapses","Adaptive Immune System","C
ellular responses to stress","Metabolism of lipids","Innate Immune System","SLC-mediated transmembrane transport","Leishmania infection","Mitotic G1 phase and G1/S transition","Homology Directed Repai
r","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","Phase I - Functionalization of compounds","Neurotransmitter release cycle","SARS-CoV Infections","Class I MHC
 mediated antigen processing & presentation","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Uptake and actions of bacterial t
oxins","Neurotransmitter receptors and postsynaptic signal transmission","Neurotransmitter clearance","Transport of bile salts and organic acids","metal ions and amine compounds","M Phase","Leishmania
 parasite growth and survival","G1/S Transition","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by sub
strate type","Acetylcholine Neurotransmitter Release Cycle","Potential therapeutics for SARS","Antigen processing-Cross presentation","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Facto
r Alpha","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Uptake and function of anthrax toxins","Serotonin clearance from the synaptic cleft","Organic cation/anion/zwitterion
 transport","Mitotic Metaphase and Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","HDR through Homologous Recombination (HRR
)","Amine ligand-binding receptors",Xenobiotics,"Endosomal/Vacuolar pathway","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","Organic cation transport","Mitotic Anaphase","ADOR
A2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing and Strand Exchange","Histamine receptors","Serotonin receptors","CYP2E1 reactions","Dopamine receptors",Adrenoceptors,"Mus
carinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP kinase activation","Nuclear Envelope (NE) Reassembly","Pres
ynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inact
ivated"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,DRD1,DRD2,DRD3,DRD4,DRD5,HTR1A,HTR1D,HTR2A,HTR2B,HTR2C,HTR6,HTR7}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{spiperone,Spiropitan,Spiroperidol,749-02-0,749020,Espiperona,Spiperonum,(3H)spiperone,(3H)-spiperone,"R 5147","E 525",UNII-4X6E73CJ0Q,UNII4X6E73CJ0Q,"NSC 170983",MLS000028615,Spiroperidol;R-5147,Spir
operidol;R5147,8-(3-(p-Fluorobenzoyl)propyl)-1-phenyl-1,8(3(pFluorobenzoyl)propyl)1phenyl1,3,8-triazaspiro(4.5)decan-4-on,8triazaspiro(4.5)decan4on,T0280,1501152,Prestw-288,Spiperone,SPIPERONE}

> <pdid>
PD001491

> <targets>
{}

> <classes>
{antipsychotic}

> <pubchem_cids>
{5265}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    1.6317   -2.2458    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    2.6401    0.8578    0.0000 O   0  0
    0.0000    1.2760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -2.3131   -0.6260    0.0000 C   0  0
   -1.5036    1.8660    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9  2  1  0
  9 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11264

> <plate>
PLATE 004

> <well>
H4

> <supplier_cmpd_name>
Trimethadione

> <ctcr_id>
4256

> <supplier_cmpd_id>
T0283

> <smiles>
CN1C(=O)OC(C)(C)C1=O

> <pd_targets>
{LMNA,CACNA1G,CACNA1H,CACNA1I}

> <pathway_gtopdb>
{"Other nuclear protein","Ion channel","Voltage-gated ion channel","Voltage-gated calcium channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Voltage-gated calcium channels"}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology",Mitotic,"Nervous system development","M Phase","Axon guidance","Mitotic Metaphase and Anaphase","NCAM signaling for neurite out-growth","Mitotic Anaphase","NCAM1 
interactions","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CACNA1G,CACNA1H,CACNA1I}

> <broad_moa>
{"oxazolidine antiepileptic"}

> <synonyms>
{RESTW51,trimethadione,127-48-0,127480,Tridione,Troxidone,Trimetadione,Trimethadion,Trimetin,Absentol,Convenixa,Convexina,Epidione,Petidion,Petimalin,Tioxanona,Tridilona,Trimedal,Trimethin,Trioxanona,
Absetil,Epixal,Petidon,Petilep,Ptimal,Tridion,Edion,Minoalev,T0283,Prestw-515,Trimethadione}

> <pdid>
PD000389

> <targets>
{Calcium Channel}

> <classes>
{Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{5576}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 13  0  0  0  0            999 V2000
    5.0987   -0.7518    0.0000 K   0  3
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 S   0  0
   -3.8983   -0.7513    0.0000 O   0  0
   -2.5983   -3.0004    0.0000 O   0  0
   -3.8975   -2.2510    0.0000 O   0  5
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
  9 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
M  CHG  2   1   1  14  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11265

> <plate>
PLATE 004

> <well>
H5

> <supplier_cmpd_name>
Sulfogaiacol

> <ctcr_id>
10967

> <supplier_cmpd_id>
T0284

> <smiles>
[K+].COc1c(O)ccc(c1)S(=O)(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Potassium 4-Hydroxy-3-methoxybenzenesulfonate","Potassium 4Hydroxy3methoxybenzenesulfonate","potassium 4-hydroxy-3-methoxybenzene-1-sulfonate","potassium 4hydroxy3methoxybenzene1sulfonate",UNII-ZL9G
A44H2A,UNIIZL9GA44H2A,"Potassium 4-guaiacolsulfonate","Potassium 4guaiacolsulfonate",16241-25-1,16241251,ZL9GA44H2A,"potassium guaiacolsulfonate","Monopotassium 4-hydroxy-3-methoxybenzenesu","Monopota
ssium 4hydroxy3methoxybenzenesu",T0284,Sulfogaiacol}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{23679005}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 S   0  0
   -1.3164   -2.2191    0.0000 O   0  0
    1.3163   -2.2193    0.0000 O   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    4.0312    5.2379    0.0000 C   0  0
    5.4984    5.5498    0.0000 C   0  0
    6.1085    6.9201    0.0000 C   0  0
    6.2484    4.2507    0.0000 O   0  0
    5.2447    3.1360    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
 12 14  2  0
  3 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 18  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11266

> <plate>
PLATE 004

> <well>
H6

> <supplier_cmpd_name>
Isoxicam

> <ctcr_id>
2759

> <supplier_cmpd_id>
T0285

> <smiles>
CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3cc(C)on3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{"RESTW 4",isoxicam,34552-84-6,34552846,"34552 84 6",Maxicam,Isoxicamo,Isoxicamum,UNII-8XU734C4NG,UNII8XU734C4NG,"UNII 8XU734C4NG","W 8495","EINECS 252-084-5","EINECS 2520845","EINECS 252 084 5","BRN 
0577221",C14H13N3O5S,CHEBI:76163,8XU734C4NG,NCGC00016829-05,NCGC0001682905,"NCGC00016829 05",CAS-34552-84-6,CAS34552846,"CAS 34552 84 6",DSSTox_CID_25462,DSSToxCID25462,DSSTox-CID-25462,"DSSTox CID 25
462",DSSTox_RID_80893,DSSToxRID80893,DSSTox-RID-80893,"DSSTox RID 80893",DSSTox_GSID_45462,DSSToxGSID45462,DSSTox-GSID-45462,"DSSTox GSID 45462","Pacyl (antiinflamma",T0285,1503242,Prestw-44,Isoxicam,
ISOXICAM}

> <pdid>
PD001029

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{54677972}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  3
    2.5933   -4.5058    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
   14.1799   -6.0042    0.0000 O   0  0
   12.8808   -5.2542    0.0000 C   0  0
   12.8808   -3.7542    0.0000 C   0  0
   11.5818   -3.0042    0.0000 C   0  0
   11.5818   -1.5042    0.0000 C   0  0
   10.2827   -0.7542    0.0000 C   0  0
    8.9837   -1.5042    0.0000 C   0  0
    8.9837   -3.0042    0.0000 C   0  0
   10.2827   -3.7542    0.0000 C   0  0
   10.2827   -5.2542    0.0000 C   0  0
   11.5818   -6.0042    0.0000 C   0  0
   11.5787   -7.5050    0.0000 C   0  0
   12.8764   -8.2573    0.0000 O   0  5
   10.2786   -8.2531    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  2 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 28 29  1  0
 29 30  2  0
 30 21  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
M  CHG  2   2   1  32  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11267

> <plate>
PLATE 004

> <well>
H7

> <supplier_cmpd_name>
Bephenium Hydroxynaphthoate

> <ctcr_id>
5561

> <supplier_cmpd_id>
T0286

> <smiles>
C[N+](C)(CCOc1ccccc1)Cc2ccccc2.Oc3cc4ccccc4cc3C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"BEPHENIUM HYDROXYNAPHTHOATE",3818-50-6,3818506,"Bephenium (hydroxynaphthoate)",UNII-47RU9546DX,UNII47RU9546DX,47RU9546DX,Naphthammonum,Naphthammon,Alcopar,Befenium,BEPHENIUMHYDROXYNAPHTHOATE,"Bephen
ii hydroxynaphthoas","Hidroxinaftoato de befenio",T0286,Prestw-936,"Bephenium Hydroxynaphthoate","Bephenium hydroxynaphthoate"}

> <pdid>
PD000279

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{54678490}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 13  0  0  0  0            999 V2000
   16.6999    0.3750    0.0000 Br  0  5
   14.1999    0.3750    0.0000 Br  0  5
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    1.3000    2.2500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 N   0  3
   11.6992    0.7496    0.0000 C   0  0
   10.3999   -1.5000    0.0000 C   0  0
   11.6988   -0.7502    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
M  CHG  4   1  -1   2  -1   4   1  13   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11268

> <plate>
PLATE 004

> <well>
H8

> <supplier_cmpd_name>
Hexamethonium Bromide

> <ctcr_id>
1564

> <supplier_cmpd_id>
T0287

> <smiles>
[Br-].[Br-].C[N+](C)(C)CCCCCC[N+](C)(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CHRNA2,CHRNA3,CHRNA4,CHRNA6}

> <broad_moa>
{"cholinergic receptor antagonist"}

> <synonyms>
{"HEXAMETHONIUM BROMIDE",55-97-0,55970,"Hexamethonium dibromide",Simpatoblock,Gangliostat,"Hexamethionium bromide","Bistrium bromide","Hexamethonium (Bromide)",Esametina,Hexameton,Vegolysen,Vegolysin,
"Hexonium dibromide",UNII-8J77X3S603,UNII8J77X3S603,T0287,1503297,"Hexamethonium Bromide"}

> <pdid>
PD004518

> <targets>
{Apoptosis,nAChR}

> <classes>
{antihypertensive,ganglionic blocker,Apoptosis,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{5938}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    4.0451   -7.0250    0.0000 O   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7932   -8.3203    0.0000 O   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5497   -4.4224    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14  6  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11269

> <plate>
PLATE 004

> <well>
H9

> <supplier_cmpd_name>
Procodazole

> <ctcr_id>
631

> <supplier_cmpd_id>
T0288

> <smiles>
OC(=O)CCc1[nH]c2ccccc2n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{immunostimulant}

> <synonyms>
{STL051172,AKOS005704227,"3-(1H-3,1-benzimidazol-3-ium-2-yl)propanoate","3(1H3,1benzimidazol3ium2yl)propanoate",Procodazole,23249-97-0,23249970,"2-Benzimidazolepropionic acid","2Benzimidazolepropionic
 acid","3-(1H-Benzimidazol-2-yl)propanoic acid","3(1HBenzimidazol2yl)propanoic acid","1H-Benzimidazole-2-propanoic acid","1HBenzimidazole2propanoic acid",Procodazol,Propazol,UNII-SG5IU7FD3R,UNIISG5IU7
FD3R,NSC3,T0288,S4408}

> <pdid>
PD000162

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{52957676,4739544,65708}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 17  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  3  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  2  1  0
 15 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11270

> <plate>
PLATE 004

> <well>
H10

> <supplier_cmpd_name>
Aminacrine

> <ctcr_id>
16012

> <supplier_cmpd_id>
T0289

> <smiles>
Nc1c2ccccc2nc3ccccc13

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Aminacrine,HY-B1422,9-Aminoacridine,9-Aminoacridine}

> <pdid>
PD001576

> <targets>
{Bacterial,HIV}

> <classes>
{Anti-infection}

> <pubchem_cids>
.

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    8.7524    0.8115    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.6003    1.4978    0.0000 N   0  0
    3.8990    0.7455    0.0000 C   0  0
    5.2526    1.3618    0.0000 N   0  0
    6.2524    0.2436    0.0000 C   0  0
    5.4979   -1.0528    0.0000 C   0  0
    4.0317   -0.7358    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -1.8032    3.1233    0.0000 S   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
  4 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 11  1  0
 15 16  1  0
 16 17  2  0
 17  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11271

> <plate>
PLATE 004

> <well>
H11

> <supplier_cmpd_name>
Tizanidine hydrochloride

> <ctcr_id>
10968

> <supplier_cmpd_id>
T0290

> <smiles>
Cl.Clc1c(NC2=NCCN2)c2nsnc2cc1

> <pd_targets>
{AMPC,NISCH,LMNA,RORC,ADRA2A,ADRA2B,ADRA2C,ADRA1A,ADRA1B,ADRA1D}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Other nuclear protein","Transcription factor","Membrane receptor",Hydrolase,"Nuclear receptor","Family A G protein-coupled receptor","Nuclear hormone receptor subfam
ily 1","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","Nuclear hormone receptor subfamily 1 group F member 3","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","G protein-coupled receptors","1F. Retinoic acid-related orphans",Adrenoceptors}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Signal Transduction",Mitotic,"RNA Polymerase II Transcription","Signaling by GPCR","M Phase","Generic Transcription Pathway","GPCR ligand binding","Mit
otic Metaphase and Anaphase","Transcriptional regulation by RUNX3","Class A/1 (Rhodopsin-like receptors)","Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Amine ligand-binding 
receptors","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA2A,ADRA2B,ADRA2C,NISCH}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{"Tizanidine hydrochloride","Tizanidine Hcl",64461-82-1,64461821,Zanaflex,Sirdalud,"Tizanidine (hydrochloride)",UNII-B53E3NMY5C,UNIIB53E3NMY5C,"DS 103-282","DS 103282",B53E3NMY5C,AN021,"5-Chloro-4-(2-
imidazolin-2-ylamino)-2,1,3-benzothiadiazole hydrochloride","5Chloro4(2imidazolin2ylamino)2,1,3benzothiadiazole hydrochloride",MFCD0,T0290}

> <pdid>
PD009840

> <targets>
{"¦Á2-adrenergic receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{114869}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 47 50  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0  2  0  0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 C   0  0
    5.1961    3.0001    0.0000 C   0  0
    3.8971    5.2500    0.0000 C   0  0
    5.1961    6.0001    0.0000 C   0  0
    5.1961    7.5001    0.0000 C   0  0
    3.8970    8.2500    0.0000 C   0  0
    2.5980    7.5000    0.0000 C   0  0
    2.5980    6.0000    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
   -3.8976   -0.7554    0.0000 N   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2991    2.2500    0.0000 O   0  0
    0.0000    6.0000    0.0000 O   0  0
    1.2990    8.2500    0.0000 O   0  0
    6.4952    5.2501    0.0000 Cl  0  0
    3.8971    0.7500    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
   14.1939    2.6236    0.0000 C   0  0
   14.1939    4.1237    0.0000 C   0  0
   12.8948    4.8736    0.0000 C   0  0
   11.5958    4.1236    0.0000 C   0  0
   11.5958    2.6236    0.0000 C   0  0
   12.8948    1.8736    0.0000 C   0  0
   12.8948    0.3728    0.0000 S   0  0
   11.5963   -0.3780    0.0000 O   0  0
   14.1941   -0.3768    0.0000 O   0  0
   12.8956   -1.1272    0.0000 O   0  0
   10.2945    4.8714    0.0000 C   0  0
    8.9965    4.1195    0.0000 O   0  0
   10.2919    6.3714    0.0000 O   0  0
   12.8948    6.3736    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  2  3
 14  4  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17  2  1  0
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20  1  1  0
 20 21  2  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 18 25  1  0
 17 26  1  6
 13 27  1  0
 11 28  1  0
  8 29  1  0
  3 30  1  6
  1 31  1  6
 31 32  1  0
 31 33  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
 39 40  1  0
 40 41  2  0
 40 42  2  0
 40 43  1  0
 37 44  1  0
 44 45  2  0
 44 46  1  0
 36 47  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11272

> <plate>
PLATE 005

> <well>
A2

> <supplier_cmpd_name>
Meclocycline sulfosalicylate salt

> <ctcr_id>
10969

> <supplier_cmpd_id>
T0281

> <smiles>
[C@@H]1([C@@H]2[C@H](C3C(=C)c4c(ccc(c4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O)N(C)C.c1cc(c(cc1S(=O)(=O)O)C(=O)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{381642,"Meclocycline sulfosalicylate salt",73816-42-9,73816429,C22H21ClN2O8.C7H6O6S,Prestwick3_000456,Prestwick3000456,Prestwick3-000456,"Prestwick3 000456",BSPBio_000532,BSPBio000532,BSPBio-000532,"
BSPBio 000532",BPBio1_000586,BPBio1000586,BPBio1-000586,"BPBio1 000586",CHEMBL1200513,CHEMBL1594055,HMS2096K14,HMS2234L11,HMS3713K14,2533AH,MFCD00082372,CCG-220456,CCG220456,NCGC00180954-01,NCGC001809
5401,NCGC00180954-02,NCGC0018095402,NCGC00,T0281}

> <pdid>
PD087046

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{54682932}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    3.8926   -3.7566    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12  6  1  0
  9 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11273

> <plate>
PLATE 005

> <well>
A3

> <supplier_cmpd_name>
Flurbiprofen

> <ctcr_id>
3366

> <supplier_cmpd_id>
T0291

> <smiles>
CC(C(O)=O)c1ccc(c(F)c1)c2ccccc2

> <pd_targets>
{PTGS1,PTGS2,FABP2,FABP1,KMT2A,MEN1,TSHR,AKR1C2,AKR1C3,SLC22A6,ASIC1,CYP2C19,MAPT,HPGD,CYP1A2,APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN,CYP2C9,HIF1A,LMNA,ALD}

> <pathway_gtopdb>
{Enzyme,"Auxiliary transport protein","Epigenetic regulator","Membrane receptor",Transporter,"Ion channel",Oxidoreductase,"Fatty acid binding protein family",Reader,"Family A G protein-coupled recepto
r","Electrochemical transporter","Ligand-gated ion channel",Bromodomain,"Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Acid-sensing ion channel","Glycohormone receptor","SLC2
2 family of organic cation and anion transporters","Other cytosolic protein","Transcription factor","Other nuclear protein","Cytochrome P450",Protease,"Cytochrome P450 family 2","Cytochrome P450 famil
y 1","Aspartic protease","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Aspartic protease AD clan","Cytochrome P450 2C19","Cytochrome P450 1A1","Aspartic protease A22A subfamily","Cytochrome
 P450 2C9","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,Transporters,"Ion channels","Eicosanoid turnover","Fatty acid-binding proteins","G protein-coupled receptors","SLC superfamily of solute carriers","Ligand-ga
ted ion channels",Cyclooxygenase,"Glycoprotein hormone receptors","Prostaglandin synthases","SLC22 family of organic cation and anion transporters","Acid-sensing (proton-gated) ion channels (ASICs)","
Organic anion transporters (OATs)","Cytochrome P450","CYP2 family: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{Metabolism,Disease,"Transport of small molecules","Metabolism of lipids","Infectious disease","SLC-mediated transmembrane transport","Ion channel transport","Fatty acid metabolism","Biosynthesis of s
pecialized proresolving mediators (SPMs)","Triglyceride metabolism","Regulation of lipid metabolism by PPARalpha","Leishmania infection","Metabolism of steroids","Transport of bile salts and organic a
cids","metal ions and amine compounds","Stimuli-sensing channels","Arachidonic acid metabolism","Biosynthesis of DPA-derived SPMs","Triglyceride catabolism","PPARA activates gene expression","Leishman
ia parasite growth and survival","Bile acid and bile salt metabolism","Organic cation/anion/zwitterion transport","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of DPAn-3 SPMs"
,"Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts","Organic anion transport","ADORA2B mediated anti-inflammatory cytokines production","Synt
hesis of bile acids and bile salts via 24-hydroxycholesterol","Neuronal System","Cellular responses to external stimuli","Cell Cycle","Biological oxidations","Transmission across Chemical Synapses","C
ellular responses to stress",Mitotic,"Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","M Phase","Cytochrome P
450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","
Mitotic Metaphase and Anaphase",Xenobiotics,"Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Mitotic Anaphase","CYP2E1 reactions","Activation of AMPK downstream of NMDARs",
"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{APH1B,BACE1,IKBKG,PSEN1,PSEN2,PTGS1,PTGS2}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{5104-49-4,5104494,Ansaid,Froben,Antadys,"2-(2-fluorobiphenyl-4-yl)propanoic acid","2(2fluorobiphenyl4yl)propanoic acid",Cebutid,Flurofen,Anside,"3-Fluoro-4-phenylhydratropic acid","3Fluoro4phenylhydr
atropic acid",Ocufen,"2-(3-fluoro-4-phenylphenyl)propanoic acid","2(3fluoro4phenylphenyl)propanoic acid","Flurbiprofene (INN-French)","Flurbiprofene (INNFrench)",Flurbiprofenum,SAM002564209,SAM0012469
61,1500308,Prestw-917,S1679,CPD000042823,FLURBIPROFEN,Flurbiprofen}

> <pdid>
PD002326

> <targets>
{Others}

> <classes>
{analgesic,Others,antiinflammatory}

> <pubchem_cids>
{3394}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 22  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0  2  0  0  0
   -4.8896   -2.5354    0.0000 O   0  0
   -6.2433   -1.8893    0.0000 C   0  0  2  0  0  0
   -7.5587   -2.6066    0.0000 C   0  0
   -7.5961   -4.1061    0.0000 O   0  0
   -6.0471   -0.4022    0.0000 C   0  0  1  0  0  0
   -7.1349    0.6307    0.0000 O   0  0
   -4.5721   -0.1292    0.0000 C   0  0  2  0  0  0
   -3.9177    1.2205    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  2  1  0
 11  7  2  0
 12  8  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  6
 15 16  1  0
 14 17  1  0
 17 18  1  1
 17 19  1  0
 19 12  1  0
 19 20  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11274

> <plate>
PLATE 005

> <well>
A4

> <supplier_cmpd_name>
Clofarabine

> <ctcr_id>
7109

> <supplier_cmpd_id>
T0297

> <smiles>
Nc1nc(Cl)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3F

> <pd_targets>
{RRM2,PDE2A,RRM1,POLA1,POLA2,POLD1,POLD2,POLD3,POLD4,POLE,POLE2,POLE3,PRIM1,PRIM2,RRM2B}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,Phosphodiesterase,Transferase,"Phosphodiesterase 2","Phosphodiesterase 2A"}

> <pathway_chembl>
{Enzymes,"1.17.4.1 Ribonucleoside-diphosphate reductases","Cyclic nucleotide turnover/signalling",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{"Cell Cycle",Hemostasis,Metabolism,Mitotic,"Platelet homeostasis","Metabolism of nucleotides","Mitotic G1 phase and G1/S transition","Nitric oxide stimulates guanylate cyclase","Interconversion of nu
cleotide di- and triphosphates","G1/S Transition","cGMP effects","G1/S-Specific Transcription","E2F mediated regulation of DNA replication","Inhibition of replication initiation of damaged DNA by RB1/
E2F1"}

> <broad_targets>
{POLA1,POLD1,POLE,RRM1,RRM2,RRM2B}

> <broad_moa>
{"ribonucleotide reductase inhibitor"}

> <synonyms>
{Clofarabine,123318-82-1,123318821,Clolar,Evoltra,Clofarex,CAFdA,Cl-F-Ara-A,ClFAraA,C1-F-Ara-A,C1FAraA,UNII-762RDY0Y2H,UNII762RDY0Y2H,2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-a
mine,2Chloro9(2deoxy2fluorobetaDarabinofuranosyl)9Hpurin6amine,2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine,2Chloro9(2deoxy2fluorobetaDarabinofuranosyl)adenine,CHEBI:681569,762RDY0Y2H,
T0297,S1218,clofarabine}

> <pdid>
PD001322

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{}

> <pubchem_cids>
{119182}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    5.1884   -7.5113    0.0000 C   0  0
    5.1901   -6.0113    0.0000 N   0  0
    6.4902   -5.2631    0.0000 C   0  0
    3.8917   -5.2586    0.0000 C   0  0
    3.8934   -3.7577    0.0000 C   0  0
    2.5949   -3.0050    0.0000 O   0  0
    2.5966   -1.5042    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    5.1956   -1.5125    0.0000 C   0  0
   16.7076   -4.5060    0.0000 C   0  0
   15.4086   -3.7560    0.0000 N   0  0
   15.4085   -2.2560    0.0000 C   0  0
   16.7076   -1.5060    0.0000 O   0  0
   14.1095   -1.5060    0.0000 N   0  0
   14.1095   -0.0060    0.0000 C   0  0
   12.8105   -2.2560    0.0000 C   0  0
   11.3847   -1.7925    0.0000 N   0  0
   10.5031   -3.0061    0.0000 C   0  0
    9.0031   -3.0061    0.0000 Cl  0  0
   11.3847   -4.2196    0.0000 N   0  0
   12.8105   -3.7560    0.0000 C   0  0
   14.1095   -4.5060    0.0000 C   0  0
   14.1095   -6.0060    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  7 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 26  2  0
 31 32  1  0
 32 21  1  0
 32 33  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11275

> <plate>
PLATE 005

> <well>
A5

> <supplier_cmpd_name>
Dimenhydrinate

> <ctcr_id>
3424

> <supplier_cmpd_id>
T0298

> <smiles>
CN(C)CCOC(c1ccccc1)c2ccccc2.CN3C(=O)N(C)c4nc(Cl)[nH]c4C3=O

> <pd_targets>
{LMNA,CYP1A2,ALDH1A1,HSD17B10,CYP2D6,ADRA1D,ADRA2A,SLC6A2,HRH1,CHRM1,CHRM2,SLC6A3,HTR2B,SIGMAR1,HTR2A,HTR2C,CHRM5,CHRM3,CHRM4,ADRA2B}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Membrane receptor",Transporter,"Cytochrome P450",Oxidoreductase,"Family A G protein-coupled receptor","Electrochemical transporter","Cytochrome P450 family 1","Cytochr
ome P450 family 2","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Monoamine receptor","SLC06 neurotransmitter t
ransporter family","Cytochrome P450 1A1","Cytochrome P450 2D6","Adrenergic receptor","Histamine receptor","Acetylcholine receptor","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Sigma receptors","CYP1 family","CYP2 family: drug metaboli
sing subset",Adrenoceptors,"SLC6 neurotransmitter transporter family","Histamine receptors","Acetylcholine receptors (muscarinic)","5-Hydroxytryptamine receptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Signal Transduction",Disease,Mitotic,"Biological oxidations","Metabolism of amino acids and derivatives","Signaling by GPCR","Disorders of transmembrane transporters","Infect
ious disease","M Phase","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","GPCR ligand binding","SLC transporter disorders","SARS-CoV Infections","Mitotic Metaphase and
 Anaphase","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Par
kinsonism-dystonia infantile (PKDYS)","Potential therapeutics for SARS","Mitotic Anaphase",Xenobiotics,"Amine ligand-binding receptors","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hyd
roxylated or N-dealkylated by CYP1A2","CYP2E1 reactions",Adrenoceptors,"Histamine receptors","Muscarinic acetylcholine receptors","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformation
"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{"Dimenhydrinate,(S)",DIMENHYDRINATE,Dramamine,523-87-5,523875,Chloranautine,"Vomex A",Diphenhydrinate,Anautine,Travelin,Amosyt,Aviomarin,Gravol,Menhydrinate,Andramine,Antemin,Diamarin,Dimenest,Diment
abs,Dramalen,Dramamin,Dramarin,Dramilin,Eldodram,T0298,1500251,Prestw-265,Dimenhydrinate}

> <pdid>
PD002369

> <targets>
{}

> <classes>
{antiemetic}

> <pubchem_cids>
{10660}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 23  0  0  1  0            999 V2000
    9.0983   -0.7368    0.0000 O   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0  2  0  0  0
    6.4964    0.7591    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0  1  0  0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
    3.8933    0.7554    0.0000 C   0  0  2  0  0  0
    5.1897    1.5099    0.0000 O   0  0
    2.5912    1.5016    0.0000 C   0  0
    2.5855    3.0016    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  6
  9  8  1  1
  9 10  1  0
 10 11  1  0
 11 12  1  1
 12 13  1  0
 11 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  1
 16 18  1  0
 18  9  1  0
 18 19  1  6
  7 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11276

> <plate>
PLATE 005

> <well>
A6

> <supplier_cmpd_name>
Lactitol monohydrate

> <ctcr_id>
346

> <supplier_cmpd_id>
T0299

> <smiles>
OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{laxative}

> <synonyms>
{LUCITOL4GUCOPYANOSID,Cellobiotol,GLUCITOL-4-GUCOPYANOSIDE,GLUCITOL4GUCOPYANOSIDE,4-O-beta-D-Glucopyranosyl-D-glucitol,4ObetaDGlucopyranosylDglucitol,Cellobiitol,535-94-4,535944,beta-D-glucopyranosyl-
(1->4)-D-glucitol,betaDglucopyranosyl(1>4)Dglucitol,Lactosit,Spectrum_001688,Spectrum001688,Spectrum-001688,"Spectrum 001688",SpecPlus_000530,SpecPlus000530,SpecPlus-000530,"SpecPlus 000530",Spectrum2
_001613,Spectrum2001613,Spectrum2-001613,"Spectrum2 001613",Spectrum3_000982,Spectrum3000982,Spectrum3-000982,"Spectrum3 000982",Spectrum4_001108,Spectrum4001108,Spectrum4-001108,"Spectrum4 001108",Sp
e,T0299,T0585,1503989,"Lactitol monohydrate",Maltitol}

> <pdid>
PD000776

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{160514}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 26  0  0  0  0            999 V2000
   10.1894   -1.5008    0.0000 H   0  3
    7.6894   -1.5008    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5976   -6.0017    0.0000 F   0  0
    0.0003   -6.0004    0.0000 F   0  0
   -1.2983   -6.7508    0.0000 F   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  9  1  0
 22 17  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11277

> <plate>
PLATE 005

> <well>
A7

> <supplier_cmpd_name>
Triflupromazine hydrochloride

> <ctcr_id>
3804

> <supplier_cmpd_id>
T0302

> <smiles>
[H+].[Cl-].CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F

> <pd_targets>
{LEF,TPR,CHRM1,TSHR,THPO,CYP2D6,BCHE,DRD2,HRH1,REP,MAPK1,TP53,PSMA6,ALB,ABCB1,CYP1A2,ABCB11,SIGMAR1,PDR5,LMNA,KMT2A,MEN1,NPSR1,PMP22,MAPT,GMNN,MTOR,HTR2B,CHRM2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Transcription factor","Secreted protein",Transporter,"Other nuclear protein","Epigenetic regulator","Other cytosolic protein",Protease,Oxidoreductas
e,"Family A G protein-coupled receptor","Cytochrome P450",Hydrolase,Kinase,"Primary active transporter",Reader,"Metallo protease","Small molecule receptor (family A GPCR)","Peptide receptor (family A 
GPCR)","Cytochrome P450 family 2","Protein Kinase","ATP-binding cassette","Cytochrome P450 family 1",Bromodomain,"Metallo protease MAE clan","Monoamine receptor","Glycohormone receptor","Cytochrome P4
50 family 2D","CMGC protein kinase group","ABCB subfamily","Cytochrome P450 family 1A","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Metallo protease M34 family","Acetylcho
line receptor","Cytochrome P450 2D6","Dopamine receptor","Histamine receptor","CMGC protein kinase MAPK family","Cytochrome P450 1A1","Neuropeptide receptor","Atypical protein kinase PIKK family","Ser
otonin receptor","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"G protein-coupled receptors","Cytochrome P450","Acetylcholine turnover","Anti-infective targets","Kinases (EC 2.7.x.x)","ATP-binding cassette t
ransporter family","Sigma receptors","Acetylcholine receptors (muscarinic)","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","Dopamine receptors","Histamine receptors","Viral p
rotein targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families","ABCB subfamily","CYP1 family","Neuropeptide S receptor",Atypical,"5-Hydroxytryptamine receptors","Coronavirus (CoV) proteins","Mitogen-
activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Signal Transduction",Hemostasis,Metabolism,"Immune System","Cell Cycle","Developmental Biology","Neuronal System","Gene expression (Transcription)","Infectious disease","Signaling by GPCR","
Platelet activation","signaling and aggregation","Biological oxidations","Metabolism of lipids","Innate Immune System","Cell Cycle Checkpoints",Mitotic,"Abacavir transport and metabolism","Nervous sys
tem development","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Uptake and actions of bacterial toxins","GPCR ligand binding","Leishmania infection","Platelet Aggregation (
Plug Formation)","Phase I - Functionalization of compounds","Phospholipid metabolism","SARS-CoV Infections","Toll-like Receptor Cascades","G1/S DNA Damage Checkpoints","Regulation of mitotic cell cycl
e","Metabolism of steroids","Abacavir transmembrane transport","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Neurotransmitter receptors and postsynaptic signal transmissi
on","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Uptake and function of anthrax toxins","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Cyt
ochrome P450 - arranged by substrate type","Glycerophospholipid biosynthesis","SARS-CoV-1 Infection","Toll Like Receptor 5 (TLR5) Cascade","p53-Dependent G1/S DNA damage checkpoint","APC/C-mediated de
gradation of cell cycle proteins","Bile acid and bile salt metabolism","Potential therapeutics for SARS","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","G1/S T
ransition","Transcriptional Regulation by TP53","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Synthesis of PC","SARS-CoV-1 Genome R
eplication and Transcription","MyD88 cascade initiated on plasma membrane","p53-Dependent G1 DNA Damage Response","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Recycl
ing of bile acids and salts","Synthesis of bile acids and bile salts","Mitotic Anaphase","Post NMDA receptor activation events","Activation of the pre-replicative complex","Regulation of TP53 Activity
","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Dopamine receptors","Histamine receptors","Replication of the SARS-CoV-1 genome","M
AP kinase activation","Stabilization of p53","APC/C:Cdc20 mediated degradation of mitotic proteins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Synthesis of bile acids and bile
 salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","Serotonin receptors","MAPK targets/ 
Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Ini
tiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","ERK/MAPK targets","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
{CHRM1,CHRM2,DRD1,DRD2,HTR2B}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{"Trifluopromazine hydrochloride","Fluopromazine monohydrochloride",CHEBI:9712,"10-(3-Dimethylaminopropyl)-2-(trifluoromethyl)phenothiazine hydrochloride","10(3Dimethylaminopropyl)2(trifluoromethyl)ph
enothiazine hydrochloride",AKOS026749861,"Triflupromazine hydrochloride",1098-60-8,1098608,Flumazin,Fluo,T0302,1503118,Prestw-53,"TRIFLUPROMAZINE HYDROCHLORIDE"}

> <pdid>
PD009989

> <targets>
{}

> <classes>
{antipsychotic}

> <pubchem_cids>
{657251,66069}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    6.4971   -0.7566    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0  1  0  0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0  1  0  0  0
    3.8919   -5.2525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -5.2010    2.9977    0.0000 O   0  0
   -6.4964    0.7459    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -2.5981   -3.0008    0.0000 C   0  0
   -1.8500   -4.2096    0.0000 C   0  0
   -3.3500   -4.2072    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  2  1  0
  4  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16  9  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 20 24  1  0
 24 14  1  0
 24 25  2  0
 18 26  1  0
 26 27  1  0
 27 28  1  0
 28 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11278

> <plate>
PLATE 005

> <well>
A8

> <supplier_cmpd_name>
Orbifloxacin

> <ctcr_id>
10970

> <supplier_cmpd_id>
T0292

> <smiles>
C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(F)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1

> <pd_targets>
{KMT2A,MEN1}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{ORBIFLOXACIN,113617-63-3,113617633,Orbax,UNII-660932TPY6,UNII660932TPY6,660932TPY6,NCGC00160518-01,NCGC0016051801,DSSTox_CID_26201,DSSToxCID26201,DSSTox-CID-26201,"DSSTox CID 26201",DSSTox_RID_81432,
DSSToxRID81432,DSSTox-RID-81432,"DSSTox RID 81432",DSSTox_GSID_46201,DSSToxGSID46201,DSSTox-GSID-46201,"DSSTox GSID 46201",SMR000544203,CAS-113617-63-3,CAS113617633,SR-01000790054,SR01000790054,"Orbif
loxacin (USP:INN:BAN)",MFCD00864858,SpecPlus_000366,SpecPlus000366,SpecPlus-000366,"SpecPlus 000366","CP 104354",O,T0292,Orbifloxacin}

> <pdid>
PD000884

> <targets>
{Antibacterial}

> <classes>
{Microbiology&virology}

> <pubchem_cids>
{60605}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  1  0            999 V2000
    9.1483    3.8854    0.0000 Na  0  3
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.0956    4.0166    0.0000 C   0  0
    0.4767    5.3830    0.0000 C   0  0
   -1.0140    5.2166    0.0000 C   0  0  2  0  0  0
   -1.9861    4.9820    0.0000 O   0  0
   -0.5491    6.6300    0.0000 C   0  0
   -1.5661    7.7325    0.0000 O   0  0
    0.9150    6.9601    0.0000 C   0  0
    1.3620    8.3928    0.0000 O   0  0
    2.8261    8.7229    0.0000 C   0  0
    3.8431    7.6204    0.0000 O   0  0
    3.2731   10.1556    0.0000 C   0  0
    4.7372   10.4858    0.0000 C   0  0
    5.1842   11.9185    0.0000 C   0  0
    4.1672   13.0210    0.0000 O   0  5
    6.6475   12.2484    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0  2  0  0  0
   -2.1132    4.3307    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
  9 22  1  0
 22  6  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 26  1  1
 25 27  1  0
 27  5  1  0
 27 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  2  3
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  3
 35  3  1  0
 35 28  1  0
M  CHG  2   1   1  20  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11279

> <plate>
PLATE 005

> <well>
A9

> <supplier_cmpd_name>
Methylprodnisolone Sodium Succinate

> <ctcr_id>
4041

> <supplier_cmpd_id>
T0294

> <smiles>
[Na+].C[C@H]1CC2C3CC[C@](O)(C(=O)COC(=O)CCC([O-])=O)[C@@]3(C)C[C@H](O)C2[C@@]4(C)C=CC(=O)C=C14

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS2093A09,AKOS016011114,CCG-213144,CCG213144,"6I+/--Methylprednisolone 21-hemisuccinate sodium salt","6I+/Methylprednisolone 21hemisuccinate sodium salt",T0294,1503255,"Methylprodnisolone Sodium Suc
cinate","METHYLPREDNISOLONE SODIUM SUCCINATE"}

> <pdid>

> <targets>
{}

> <classes>
{glucocorticoid,antiinflammatory}

> <pubchem_cids>
{44270140}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 54 61  0  0  1  0            999 V2000
    5.1667  -15.0029    0.0000 C   0  0
    6.4683  -14.2574    0.0000 C   0  0  1  0  0  0
    6.4735  -12.7574    0.0000 O   0  0
    7.7751  -12.0118    0.0000 C   0  0  2  0  0  0
    9.0715  -12.7664    0.0000 C   0  0
    9.0664  -14.2664    0.0000 C   0  0  2  0  0  0
   10.3628  -15.0208    0.0000 O   0  0
    7.7647  -15.0119    0.0000 C   0  0  2  0  0  0
    7.7596  -16.5119    0.0000 O   0  0
    7.7773  -10.5110    0.0000 O   0  0
    6.4790   -9.7579    0.0000 C   0  0  1  0  0  0
    6.4790   -8.2579    0.0000 C   0  0  1  0  0  0
    7.7781   -7.5079    0.0000 O   0  0
    5.1800   -7.5079    0.0000 C   0  0
    3.8809   -8.2579    0.0000 C   0  0  1  0  0  0
    3.8810   -9.7579    0.0000 O   0  0
    5.1800  -10.5079    0.0000 C   0  0  2  0  0  0
    5.1800  -12.0079    0.0000 C   0  0
    2.5826   -7.5048    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0  1  0  0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
   -0.0133   -5.9950    0.0000 O   0  0
    1.2935   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    3.8915   -3.7585    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0  2  0  0  0
    5.1828   -6.0130    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990    2.2500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0  2  0  0  0
   -5.3512    4.4919    0.0000 C   0  0
   -6.6112    3.4635    0.0000 C   0  0  2  0  0  0
   -7.4928    2.2500    0.0000 C   0  0
   -6.6111    1.0364    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0  2  0  0  0
   -5.3512    0.0080    0.0000 O   0  0
   -7.0732    4.8913    0.0000 C   0  0
   -6.2824    6.1452    0.0000 C   0  0
   -7.2559    7.2864    0.0000 C   0  0
   -6.9049    8.7447    0.0000 O   0  0
   -8.6421    6.7131    0.0000 O   0  0
   -8.5252    5.2177    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  2  1  0
  8  9  1  6
  4 10  1  1
 11 10  1  6
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 11  1  0
 17 18  1  1
 15 19  1  1
 20 19  1  1
 20 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 20  1  0
 26 27  1  6
 24 28  1  6
 29 28  1  6
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  6
 32 34  1  0
 34 35  1  1
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 32  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  6
 41 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 37  1  0
 46 41  1  0
 46 47  1  6
 43 48  1  6
 48 49  2  3
 49 50  1  0
 50 51  2  0
 50 52  1  0
 52 53  1  0
 53 48  1  0
 34 54  1  0
 54 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11280

> <plate>
PLATE 005

> <well>
A10

> <supplier_cmpd_name>
Digitoxin

> <ctcr_id>
1037

> <supplier_cmpd_id>
T0295

> <smiles>
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]3[C@@H](O)C[C@@H](O[C@@H]3C)O[C@H]4CC[C@@]5(C)[C@H](CCC6C5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4

> <pd_targets>
{REP,ATP1A1,LMNA,TP53,RORC,MAPT,ATP1A2,ATP1A3,ATP1A4,ATP1B1,ATP1B2,ATP1B3,FXYD2,ABCB11,SLCO4C1,STAT3}

> <pathway_gtopdb>
{Enzyme,Transporter,"Other nuclear protein","Transcription factor","Other cytosolic protein",Transferase,"Primary active transporter",Protease,"Nuclear receptor","Electrochemical transporter","P-type 
ATPase","Cysteine protease","Nuclear hormone receptor subfamily 1","ATP-binding cassette","SLC superfamily of solute carriers","Sodium potassium ATPase","Cysteine protease CA clan","Nuclear hormone re
ceptor subfamily 1 group F","ABCB subfamily","SLC21/SLCO family of organic anion transporting polypeptides","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Other protein targets",Transporters,Receptors,"Anti-infective targets","P-type ATPases","Nuclear hormone receptors","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Tr
anscription factors","Viral protein targets","P2C P-type ATPases","1F. Retinoic acid-related orphans","ABCB subfamily","SLCO family of organic anion transporting polypeptides","STAT transcription fact
ors","Coronavirus (CoV) proteins",Na<sup>+</sup>/K<sup>+</sup>-ATPases}

> <pathway_reactome>
{Disease,"Cell Cycle","Gene expression (Transcription)","Neuronal System",Metabolism,"Transport of small molecules","Infectious disease",Mitotic,"Cell Cycle Checkpoints","RNA Polymerase II Transcripti
on","Transmission across Chemical Synapses","Metabolism of lipids","SLC-mediated transmembrane transport","Diseases of signal transduction by growth factor receptors and second messengers","SARS-CoV I
nfections","M Phase","G1/S DNA Damage Checkpoints","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Metabolism of steroids","Transport of vitamins",nu
cleosides,"and related molecules","Signaling by FGFR in disease","SARS-CoV-2 Infection","Potential therapeutics for SARS","Mitotic Metaphase and Anaphase","p53-Dependent G1/S DNA damage checkpoint","T
ranscriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Bile acid and bile salt metabolism","Transport of organic anions","Signaling by FGFR1 in disease","SARS-CoV-
2 Genome Replication and Transcription","Mitotic Anaphase","p53-Dependent G1 DNA Damage Response","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","Synthesis
 of bile acids and bile salts","FGFR1 mutant receptor activation","Replication of the SARS-CoV-2 genome","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Activation of AMPK downstream of NMD
ARs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Signaling by cytosolic FGFR1 fusion mutants","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 u
biquitin ligase COP1"}

> <broad_targets>
{ATP1A1,ATP1A2,ATP1A3,ATP1A4,ATP1B1,ATP1B2,ATP1B3,FXYD2}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{SR-05000002056,SR05000002056,Spectrum_000964,Spectrum000964,Spectrum-000964,"Spectrum 000964",Spectrum2_000070,Spectrum2000070,Spectrum2-000070,"Spectrum2 000070",Spectrum3_000393,Spectrum3000393,Spe
ctrum3-000393,"Spectrum3 000393",Spectrum4_000514,Spectrum4000514,Spectrum4-000514,"Spectrum4 000514",Spectrum5_000903,Spectrum5000903,Spectrum5-000903,"Spectrum5 000903","inhibits Na+/K+ ATPase",BSPB
io_002205,BSPBio002205,BSPBio-002205,"BSPBio 002205",KBioGR_001087,KBioGR001087,KBioGR-001087,"KBioGR 001087",KBioSS_001444,KBioSS001444,KBioSS-001444,"KBioSS 001444",DivK1c_000036,DivK1c000036,DivK1c
-000036,"DivK1c 000036",SPECTRUM1500246,SPBio_000259,SPBio000259,SPBio-000259,"SPBio 000259",SCHEMBL20582729,HMS500B18,KBio1_0000,KBio10000,KBio1-0000,"KBio1 0000",T0295,1500246,Digitoxin,DIGITOXIN}

> <pdid>
PD002373

> <targets>
{}

> <classes>
{inotropic,cardiotonic}

> <pubchem_cids>
{5702041}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 S   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 S   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11281

> <plate>
PLATE 005

> <well>
A11

> <supplier_cmpd_name>
Methylthiouracil

> <ctcr_id>
3641

> <supplier_cmpd_id>
T0304

> <smiles>
CC1=CC(=S)NC(=S)N1

> <pd_targets>
{FFP,ALD}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{6308-38-9,6308389,"6-methylpyrimidine-2,4(1H,3H)-dithione","6methylpyrimidine2,4(1H,3H)dithione","6-methyl-1H-pyrimidine-2,4-dithione","6methyl1Hpyrimidine2,4dithione","6-methylpyrimidine-2,4-dithiol
","6methylpyrimidine2,4dithiol","2,4(1H,3H)-Pyrimidinedithione, 6-methyl-","2,4(1H,3H)Pyrimidinedithione, 6methyl",MLS000737051,"2,4-dimercapto-6-methylpyrimidine","2,4dimercapto6methylpyrimidine",SMR
000394007,2,"4 (1H",3H)-Pyr,3H)Pyr,T0304,NSC42028,"NSC 42028",Methylthiouracil}

> <pdid>
PD001856

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{816944}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -5.1968    1.5004    0.0000 C   0  0
   -6.4971    0.7525    0.0000 C   0  0
   -7.7950    1.5045    0.0000 C   0  0
   -7.7926    3.0045    0.0000 C   0  0
   -6.4924    3.7525    0.0000 C   0  0
   -5.1945    3.0004    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  8  1  0
 13 14  2  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
  9 21  2  0
 21  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11282

> <plate>
PLATE 005

> <well>
B2

> <supplier_cmpd_name>
Ipriflavone

> <ctcr_id>
996

> <supplier_cmpd_id>
T0309

> <smiles>
CC(C)Oc1ccc2c(OC=C(C2=O)c3ccccc3)c1

> <pd_targets>
{GAA,MAPT,NPC1,CASP3,RAB9A,KMT2A,MEN1,SENP6,RORC,HTT,HIF1A,MAPK1,POLB,SENP7,SENP8,SMN1,ALDH1A1,SLC6A2,PTGS1,STAT1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Transporter,"Epigenetic regulator","Transcription factor","Unclassified protein",Hydrolase,Protease,Reader,"Nuclear receptor",Kinase,Oxidoreductase,"Electrochemical t
ransporter","Cysteine protease",Bromodomain,"Nuclear hormone receptor subfamily 1","Protein Kinase","Methyl-lysine/arginine binding protein","SLC superfamily of solute carriers","Cysteine protease CD 
clan","Cysteine protease CE clan","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Tudor domain","SLC06 neurotransmitter transporter family","Cysteine protease C14 family","
Cysteine protease C48 family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cysteine protease C14A subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"3.2.1.- Glycosidases","SLC superfamily of solute carriers","Peptidases and proteinases","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Eicosanoid turnover","SLC65
 NPC-type cholesterol transporters","CD: Cysteine (C) Peptidases","CE: Cysteine (C) Peptidases","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC6 neurotransmitt
er transporter family",Cyclooxygenase,"C14: Caspase","C48: Ulp1 endopeptidase","Mitogen-activated protein kinases (MAP kinases)","Monoamine transporter subfamily","ERK subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Transport of small molecules","Programmed Cell Death","Signal Transduction","Gene expression (Transcription)","Cellular responses to external stimuli","Immune System","DNA 
Repair","Metabolism of proteins","Metabolism of RNA",Metabolism,"Diseases of metabolism","Transmission across Chemical Synapses","Plasma lipoprotein assembly",remodeling,"and clearance",Apoptosis,"Sig
naling by Rho GTPases","RNA Polymerase II Transcription","Cellular responses to stress","Innate Immune System","Base Excision Repair","Post-translational protein modification","Metabolism of non-codin
g RNA","Biological oxidations","Disorders of transmembrane transporters","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","Diseases of carbohyd
rate metabolism","Neurotransmitter receptors and postsynaptic signal transmission","Plasma lipoprotein clearance","Intrinsic Pathway for Apoptosis","Rho GTPase cycle","Generic Transcription Pathway","
Cellular response to hypoxia","Toll-like Receptor Cascades","Resolution of Abasic Sites (AP sites)",Deubiquitination,"snRNP Assembly","Phase I - Functionalization of compounds","SLC transporter disord
ers","Fatty acid metabolism","Signaling by FGFR in disease","Glycogen storage diseases","Activation of NMDA receptors and postsynaptic events","LDL clearance","Apoptotic factor-mediated response","RHO
BTB GTPase Cycle","Transcriptional regulation by RUNX3","Transcriptional Regulation by MECP2","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Toll Like Receptor 5 (TLR5) Ca
scade","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","UCH proteinases","Ethanol oxidation","Defective SLC6A2 causes orthostatic intolerance (OI)","Arachidonic acid met
abolism","Signaling by FGFR1 in disease","Glycogen storage disease type II (GAA)","Post NMDA receptor activation events","Cytochrome c-mediated apoptotic response","RHOBTB3 ATPase cycle","RUNX3 Regula
tes Immune Response and Cell Migration","Regulation of MECP2 expression and activity","MyD88 cascade initiated on plasma membrane","PCNA-Dependent Long Patch Base Excision Repair","Synthesis of Prosta
glandins (PG) and Thromboxanes (TX)","FGFR1 mutant receptor activation","Activation of AMPK downstream of NMDARs","Activation of caspases through apoptosome-mediated cleavage","MAP kinase activation",
"Signaling by cytosolic FGFR1 fusion mutants","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"bone resorption inhibitor"}

> <synonyms>
{35212-22-7,35212227,Osten,Osteofix,Yambolap,7-Isopropoxyisoflavone,7Isopropoxyisoflavone,Iprosten,Ipriflavonum,Ipriflavona,Osteoquine,7-isopropoxy-3-phenyl-4H-chromen-4-one,7isopropoxy3phenyl4Hchrome
n4one,7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one,7Isopropoxy3phenyl4H1benzopyran4one,"Ipriflavone (Osteofix)","Ipriflavone (INN:J",T0309,SAM001246714,Ipriflavone,CPD000059060}

> <pdid>
PD002503

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3747}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 62 63  0  0  0  0            999 V2000
   33.3918   -3.3765    0.0000 Na  0  3
   30.8918   -3.3765    0.0000 Na  0  3
   28.3918   -3.3765    0.0000 Na  0  3
   25.8918   -3.3765    0.0000 Na  0  3
    6.4994    0.7568    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -5.1969   -1.5004    0.0000 S   0  0
   -5.1964   -3.0004    0.0000 O   0  5
   -6.4964   -0.7513    0.0000 O   0  0
   -6.4955   -2.2511    0.0000 O   0  0
   -2.5981    3.0008    0.0000 S   0  0
   -3.8974    3.7504    0.0000 O   0  5
   -1.2995    3.7516    0.0000 O   0  0
   -2.5988    4.5008    0.0000 O   0  0
    9.0982   -3.7436    0.0000 C   0  0
   10.3985   -2.9956    0.0000 C   0  0
   11.6964   -3.7477    0.0000 C   0  0
   11.6940   -5.2477    0.0000 C   0  0
   12.9942   -5.9974    0.0000 N   0  0
   14.2940   -5.2472    0.0000 N   0  0
   15.5942   -5.9970    0.0000 C   0  0
   15.5919   -7.4970    0.0000 C   0  0
   16.8898   -8.2490    0.0000 C   0  0
   18.1900   -7.5010    0.0000 C   0  0
   19.4879   -8.2530    0.0000 C   0  0
   20.7881   -7.5050    0.0000 C   0  0
   20.7904   -6.0050    0.0000 C   0  0
   19.4925   -5.2530    0.0000 C   0  0
   19.4948   -3.7530    0.0000 N   0  0
   18.1923   -6.0010    0.0000 C   0  0
   16.8944   -5.2490    0.0000 C   0  0
   16.8968   -3.7490    0.0000 O   0  0
   22.0913   -5.2566    0.0000 S   0  0
   22.0931   -3.7566    0.0000 O   0  5
   23.3896   -6.0078    0.0000 O   0  0
   23.3911   -4.5080    0.0000 O   0  0
   19.4856   -9.7539    0.0000 S   0  0
   20.7837  -10.5054    0.0000 O   0  5
   18.1859  -10.5027    0.0000 O   0  0
   19.4840  -11.2539    0.0000 O   0  0
   10.3938   -5.9956    0.0000 C   0  0
   10.3915   -7.4956    0.0000 C   0  0
    9.0960   -5.2436    0.0000 C   0  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 17  1  0
 23 24  2  0
 24 14  1  0
 24 25  1  0
 20 26  1  0
 26 27  1  0
 26 28  2  0
 26 29  2  0
 18 30  1  0
 30 31  1  0
 30 32  2  0
 30 33  2  0
  8 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 47 49  1  0
 49 43  1  0
 49 50  2  0
 50 40  1  0
 50 51  1  0
 46 52  1  0
 52 53  1  0
 52 54  2  0
 52 55  2  0
 44 56  1  0
 56 57  1  0
 56 58  2  0
 56 59  2  0
 37 60  1  0
 60 61  1  0
 60 62  2  0
 62 34  1  0
M  CHG  8   1   1   2   1   3   1   4   1  27  -1  31  -1  53  -1  57  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11283

> <plate>
PLATE 005

> <well>
B3

> <supplier_cmpd_name>
Evans blue

> <ctcr_id>
10971

> <supplier_cmpd_id>
T0313

> <smiles>
[Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1\N=N\c1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\N=N\c2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"evans blue",314-13-6,314136,"Direct Blue 53","Azovan Blue","C.I. DIRECT BLUE 53","Evan's Blue","C.I. 23860",Diazobleu,Evablin,"Dye Evans Blue",MFCD00004021,"Geigy-blau 536","Geigyblau 536","C.I. dir
ect blue 53 tetrasodium salt","Diamine Sky Blue FF","Diazol Pure B",T0313,"Evans blue"}

> <pdid>

> <targets>
{vesicular glutamate uptake,Others}

> <classes>
{Neuroscience,Others}

> <pubchem_cids>
{9409}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    9.0983   -0.7368    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
 13 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11284

> <plate>
PLATE 005

> <well>
B4

> <supplier_cmpd_name>
Hexylresorcinol

> <ctcr_id>
3480

> <supplier_cmpd_id>
T0314

> <smiles>
CCCCCCc1ccc(O)cc1O

> <pd_targets>
{ALOX5,TSHR,TP53,CYP3A4,MAPT,PPO2,RORC,ALOX15,LEF,FTL,TYR,HTT,AMPC,TOP1,TGM2,PPO1,TYRP1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Transcription factor","Other cytosolic protein","Unclassified protein",Oxidoreductase,"Family A G protein-coupled receptor","Cytochrome P450","Nuclear receptor",Protease,H
ydrolase,Isomerase,Aminoacyltransferase,"Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Metallo protease","Protein-glutamine glutamyl-transferase"
,"Glycohormone receptor","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Metallo protease MAE clan","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F memb
er 3","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","G protein-coupled receptors","Cytochrome P450","Nuclear hormone receptors","1.-.-.- Oxidoreductases","DNA topoisomerases","2.3.2.- Aminoacyltransferases",Lipo
xygenases,"Glycoprotein hormone receptors","CYP3 family","1F. Retinoic acid-related orphans","2.3.2.13 Transglutaminases"}

> <pathway_reactome>
{Metabolism,Disease,"Cell Cycle","Neuronal System","Gene expression (Transcription)","Vesicle-mediated transport","Metabolism of proteins","Metabolism of lipids","Infectious disease","Cell Cycle Check
points","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Membrane Trafficking","Metabolism of amino acids and derivatives","Post-translational protein modification","Biosynth
esis of specialized proresolving mediators (SPMs)","Leishmania infection","G1/S DNA Damage Checkpoints","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway
","Uptake and actions of bacterial toxins","trans-Golgi Network Vesicle Budding","Melanin biosynthesis",SUMOylation,"Biosynthesis of DPA-derived SPMs","Leishmania parasite growth and survival","p53-De
pendent G1/S DNA damage checkpoint","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Uptake and function of anthrax toxi
ns","Golgi Associated Vesicle Biogenesis","Transcriptional Regulation by MECP2","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishman
ia parasite infection","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Regulation of MECP
2 expression and activity","SUMOylation of DNA replication proteins","Biosynthesis of DPAn-3-derived 13-series resolvins","ADORA2B mediated anti-inflammatory cytokines production","Stabilization of p5
3","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{TYR}

> <broad_moa>
{"tyrosinase inhibitor"}

> <synonyms>
{hexylresorcinol,4-Hexylresorcinol,4Hexylresorcinol,136-77-6,136776,"4-hexylbenzene-1,3-diol","4hexylbenzene1,3diol","4-Hexyl-1,3-benzenediol","4Hexyl1,3benzenediol",4-n-Hexylresorcinol,4nHexylresorci
nol,Antascarin,Ascaricid,Ascarinol,Oxana,p-Hexylresorcinol,pHexylresorcinol,Adrover,Caprokol,Hidesol,Crystoids,"1,3-Benzenediol, 4-hexyl-","1,3Benzenediol, 4hexyl",Prenso,T0314,1500330,Hexylresorcinol
,HEXYLRESORCINOL}

> <pdid>
PD002309

> <targets>
{Apoptosis,Bacterial,Glucosidase,Parasite}

> <classes>
{topical antiseptic,anthelmintic,Anti-infection,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{3610}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    3.7332   -0.7121    0.0000 C   0  0
    3.1255   -2.0835    0.0000 C   0  0
    4.0097   -3.2952    0.0000 O   0  0
    1.6332   -2.2426    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 S   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  9 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11285

> <plate>
PLATE 005

> <well>
B5

> <supplier_cmpd_name>
Citiolone

> <ctcr_id>
2175

> <supplier_cmpd_id>
T0316

> <smiles>
CC(=O)NC1CCSC1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{lipotropic,"mucolytic agent"}

> <synonyms>
{citiolone,1195-16-0,1195160,Citiolase,17896-21-8,17896218,Thioxidrene,Ahctl,"Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-","Acetamide, N(tetrahydro2oxo3thienyl)",Achtl,"DL-N-Acetylhomocysteine thiolact
one","DLNAcetylhomocysteine thiolactone",AHCT,"N-Acetylhomocysteine thiolactone","NAcetylhomocysteine thiolactone",N-(2-Oxotetrahydrothiophen-3-yl)acetamide,N(2Oxotetrahydrothiophen3yl)acetamide,N-Ace
tyl-dl-ho,NAcetyldlho,T0316,1503205,Prestw-644,Citiolone,CITIOLONE,"N-Acetyl-DL-homocysteine Thiolactone"}

> <pdid>
PD001052

> <targets>
{}

> <classes>
{hepatoprotectant}

> <pubchem_cids>
{14520}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  1  0            999 V2000
    6.1356   -1.0519    0.0000 C   0  0
    5.2020   -2.2259    0.0000 O   0  0
    3.7175   -2.0053    0.0000 C   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0  2  0  0  0
   -2.5245    2.0171    0.0000 N   0  0
   -2.2987    3.5008    0.0000 C   0  0
   -0.9014    4.0465    0.0000 O   0  0
   -3.4702    4.4390    0.0000 C   0  0
   -3.2445    5.9219    0.0000 F   0  0
   -4.6415    5.3761    0.0000 F   0  0
   -4.8674    3.8934    0.0000 F   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1866   -0.3858    0.0000 C   0  0
   -4.1219   -1.5585    0.0000 C   0  0
   -5.5842   -1.2247    0.0000 O   0  0
   -3.7881   -3.0209    0.0000 C   0  0
   -2.4366   -3.6717    0.0000 C   0  0
   -1.0852   -3.0209    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 C   0  0
    0.3661   -4.1302    0.0000 O   0  0
    0.9167   -5.5255    0.0000 C   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.3334   -4.5740    0.0000 O   0  0
    4.8170   -4.7955    0.0000 C   0  0
   -4.9611   -3.9603    0.0000 S   0  0
   -4.7354   -5.4432    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  1
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
  8 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 16  1  0
 23 24  1  0
 24  5  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  2  0
 28  3  1  0
 28 29  1  0
 29 30  1  0
 20 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11286

> <plate>
PLATE 005

> <well>
B6

> <supplier_cmpd_name>
Colchicine

> <ctcr_id>
8186

> <supplier_cmpd_id>
T0320

> <smiles>
COc1cc2CC[C@H](NC(=O)C(F)(F)F)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{UNII-56PC0J2FKW,UNII56PC0J2FKW,"UNII 56PC0J2FKW",76129-16-3,76129163,"76129 16 3",IDN-5005,IDN5005,"IDN 5005",NSC320301,56PC0J2FKW,"COLCHICINE DERIV",MLS002703053,"Colchicine, 10-demethoxy-10-(methyl
thio)-17,17,17-trifluoro-","Colchicine, 10demethoxy10(methylthio)17,17,17trifluoro",Colchicine,10deme}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{330851}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    8.8915   -5.6174    0.0000 H   0  3
    6.3915   -5.6174    0.0000 Cl  0  5
   -3.9513  -12.7167    0.0000 Cl  0  0
   -2.6471  -11.9757    0.0000 C   0  0
   -1.3533  -12.7347    0.0000 C   0  0
   -0.0491  -11.9937    0.0000 C   0  0
   -0.0386  -10.4937    0.0000 C   0  0
    1.2648   -9.7497    0.0000 O   0  0
    1.2731   -8.2489    0.0000 C   0  0
    2.5765   -7.5048    0.0000 C   0  0
    3.8716   -8.2615    0.0000 O   0  0
    2.5847   -6.0040    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.3325   -9.7348    0.0000 C   0  0
   -2.6367  -10.4758    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 22  1  0
 26 27  2  0
 27 19  1  0
  7 28  1  0
 28 29  2  0
 29  4  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11287

> <plate>
PLATE 005

> <well>
B7

> <supplier_cmpd_name>
Fipexide

> <ctcr_id>
4195

> <supplier_cmpd_id>
T0322

> <smiles>
[H+].[Cl-].Clc1ccc(OCC(=O)N2CCN(CC2)Cc3ccc4OCOc4c3)cc1

> <pd_targets>
{AMPC,CYP2D6,HIF1A,CYP3A4,LMNA,CYP2C19,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other nuclear protein",Hydrolase,"Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","Cytochrome P450 family 2D","Cytochr
ome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 2C19","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset","CYP3 family","CYP1 family"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Cell Cycle","Biological oxidations","Cellular responses to stress","Metabolism of lipids",Mitotic,"Phase I - Functionalization of compounds","Cell
ular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-induci
ble Factor Alpha","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase",Xenobiotics,"Biosynthesis of maresins","Mitotic Anaphase","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","
Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"psychoactive drug"}

> <synonyms>
{34161-23-4,34161234,"34161 23 4","Fipexide (hydrochloride)",Attentil,UNII-NQ702L425I,UNIINQ702L425I,"UNII NQ702L425I","Attentil; BP 662",NQ702L425I,NCGC00095024-01,NCGC0009502401,"NCGC00095024 01","F
ipexide HCl",DSSTox_CID_27446,DSSToxCID27446,DSSTox-CID-27446,"DSSTox CID 27446",DSSTox_RID_82352,DSSToxRID82352,DSSTox-RID-82352,"DSSTox RID 82352",DSSTox_GSID_47446,DSSToxGSID47446,DSSTox-GSID-47446
,"DSSTox GSID 47446","Fipexidum hydrochloride",SR-,SR,T0322,1503222,Prestw-298,Fipexide,"FIPEXIDE HYDROCHLORIDE","Fipexide hydrochloride"}

> <pdid>
PD013233

> <targets>
{Adenylate Cyclase,Dopamine Transporter}

> <classes>
{psychostimulant,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{91981308,161803}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 61 66  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
    1.2911   -8.2504    0.0000 O   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   10.3029   -1.5000    0.0000 C   0  0
    9.0038   -0.7500    0.0000 N   0  0
    9.0038    0.7500    0.0000 C   0  0
    7.7048    1.5000    0.0000 C   0  0
    6.4057    0.7500    0.0000 C   0  0
    6.4057   -0.7500    0.0000 N   0  0
    7.7048   -1.5000    0.0000 C   0  0
    7.7017   -3.0008    0.0000 C   0  0
    6.4009   -3.7494    0.0000 C   0  0
    6.3978   -5.2502    0.0000 C   0  0
    5.0988   -6.0003    0.0000 C   0  0
    5.0987   -7.5003    0.0000 C   0  0
    6.3978   -8.2503    0.0000 C   0  0
    7.6968   -7.5003    0.0000 C   0  0
    8.9958   -8.2504    0.0000 O   0  0
    7.6968   -6.0003    0.0000 C   0  0
   20.5835   -0.7308    0.0000 O   0  0
   19.2898   -1.4900    0.0000 C   0  0
   17.9857   -0.7489    0.0000 O   0  0
   19.3010   -2.9908    0.0000 C   0  0
   20.6040   -3.7338    0.0000 C   0  0
   21.8990   -2.9768    0.0000 O   0  0
   20.6121   -5.2338    0.0000 C   0  0
   19.3171   -5.9908    0.0000 C   0  0
   19.3252   -7.4908    0.0000 C   0  0
   18.0302   -8.2477    0.0000 C   0  0
   16.7271   -7.5047    0.0000 C   0  0
   16.7191   -6.0047    0.0000 C   0  0
   18.0140   -5.2478    0.0000 C   0  0
   18.0060   -3.7478    0.0000 C   0  0
   17.0374   -2.6013    0.0000 C   0  0
   15.5601   -2.8659    0.0000 C   0  0
   15.0479   -4.2758    0.0000 C   0  0
   16.0129   -5.4242    0.0000 C   0  0
   15.5007   -6.8341    0.0000 C   0  0
   14.0237   -7.0955    0.0000 C   0  0
   13.0588   -5.9471    0.0000 C   0  0
   13.5709   -4.5372    0.0000 C   0  0
   12.6059   -3.3888    0.0000 C   0  0
   13.1180   -1.9789    0.0000 C   0  0
   12.1531   -0.8305    0.0000 O   0  0
   14.5951   -1.7175    0.0000 C   0  0
   15.1103   -0.3078    0.0000 C   0  0
   14.1473    0.8422    0.0000 O   0  0
   16.5877   -0.0484    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 10  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  3
 23 18  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32 26  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 40  1  0
 45 46  2  0
 46 36  1  0
 46 47  1  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 52 53  2  0
 53 54  1  0
 54 49  1  0
 54 55  2  0
 55 56  1  0
 56 57  1  0
 56 58  2  0
 58 48  1  0
 58 59  1  0
 59 60  1  0
 59 61  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11288

> <plate>
PLATE 005

> <well>
B8

> <supplier_cmpd_name>
Oxantel Pamoate

> <ctcr_id>
1432

> <supplier_cmpd_id>
T0323

> <smiles>
CN1CCCN=C1\C=C\c2cccc(O)c2.CN3CCCN=C3\C=C\c4cccc(O)c4.OC(=O)c5c(O)cc6ccccc6c5Cc7c8ccccc8cc(O)c7C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW39,CHEBI:94835,HMS2096O17,MFCD19105662,AC-32487,AC32487,SR-01000872652,SR01000872652,SR-01000872652-1,SR010008726521,BRD-M41106164-001-01-9,BRDM41106164001019,T0323,Prestw-398,"Oxantel Pamoate",
"Oxantel pamoate"}

> <pdid>
PD053425

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{51371405}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 23  0  0  1  0            999 V2000
   12.8833   -4.5076    0.0000 Cl  0  0
    5.1937   -3.0093    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0  2  0  0  0
    3.8869   -8.2595    0.0000 O   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4855   -9.7648    0.0000 C   0  0
    7.7846  -10.5149    0.0000 C   0  0
    9.0836   -9.7649    0.0000 C   0  0
   10.3826  -10.5149    0.0000 O   0  0
    9.0836   -8.2649    0.0000 C   0  0
    7.7846   -7.5149    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  3 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11289

> <plate>
PLATE 005

> <well>
B9

> <supplier_cmpd_name>
Isoxsuprine hydrochloride

> <ctcr_id>
6427

> <supplier_cmpd_id>
T0324

> <smiles>
Cl.CC(COc1ccccc1)NC(C)[C@H](O)c2ccc(O)cc2

> <pd_targets>
{CYP2C19,CYP1A2,HIF1A,CYP2D6,KMT2A,MEN1,MAPK1,ADRA1A,ADRA1B,ADRA1D,ADRB2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Membrane receptor","Cytochrome P450",Reader,Kinase,"Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 family 1",Br
omodomain,"Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 2D","CMGC protein kinase group","Monoamine receptor
","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 2D6","CMGC protein kinase MAPK family","Adrenergic receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Kinases (EC 2.7.x.x)","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Adrenoce
ptors,"Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Immune System",Disease,"Biological oxidations","Cellular responses to stress","Innate Immune System","Infectious disease","Phase I - Functionaliza
tion of compounds","Cellular response to hypoxia","Toll-like Receptor Cascades","Leishmania infection","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia
-inducible Factor Alpha","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival",Xenobiotics,"MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring 
Leishmania parasite infection","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","
MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADRB2}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{SPECTRUM1500359,HMS1920H17,CCG-40103,CCG40103,T0324,1500359,"Isoxsuprine hydrochloride","ISOXSUPRINE HYDROCHLORIDE"}

> <pdid>
PD005906

> <targets>
{}

> <classes>
{vasodilator}

> <pubchem_cids>
{5702075}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 23  0  0  0  0            999 V2000
    7.5973    0.3727    0.0000 H   0  3
    5.0973    0.3727    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3032    3.7490    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.1517    0.8676    0.0000 C   0  0
  -10.1554    1.9823    0.0000 C   0  0
   -9.4054    3.2814    0.0000 C   0  0
   -7.9382    2.9695    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 16  1  0
 10 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  2  0
 24  5  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11290

> <plate>
PLATE 005

> <well>
B10

> <supplier_cmpd_name>
Buflomedil hydrochloride

> <ctcr_id>
618

> <supplier_cmpd_id>
T0317

> <smiles>
[H+].[Cl-].COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1

> <pd_targets>
{SIGMAR1,ERG2,EBP,CYP2D6,LMNA}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein",Isomerase,"Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 2D","Cytochrome P450 2D6"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Sigma receptors","Cytochrome P450","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Disease,Metabolism,"Cell Cycle","Infectious disease","Metabolism of lipids","Biological oxidations",Mitotic,"SARS-CoV Infections","Metabolism of steroids","Phase I - Functionalization of compounds","
M Phase","Potential therapeutics for SARS","Cholesterol biosynthesis","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Cholesterol biosynthesis via desmosterol",Xenobio
tics,"Mitotic Anaphase","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA1A}

> <broad_moa>
{"adrenergic receptor antagonist","calcium channel blocker"}

> <synonyms>
{"1-(3-(2,4,6-Trimethoxybenzoyl)propyl)pyrrolidinium chloride","1(3(2,4,6Trimethoxybenzoyl)propyl)pyrrolidinium chloride","1 (3 (2,4,6 Trimethoxybenzoyl)propyl)pyrrolidinium chloride","Botamiral (TN)"
,ACMC-20ap06,ACMC20ap06,ACMC,SAM001246680,Prestw-426,CPD000058803,"Buflomedil hydrochloride"}

> <pdid>
PD013131

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{37170,6420013}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
   12.8875   -5.6344    0.0000 Cl  0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4920   -5.2654    0.0000 C   0  0
    6.4986   -3.7646    0.0000 N   0  0
    7.7995   -3.0176    0.0000 C   0  0
    7.8031   -1.5176    0.0000 C   0  0
    6.5058   -0.7645    0.0000 C   0  0
    5.2050   -1.5114    0.0000 C   0  0
    5.2014   -3.0114    0.0000 C   0  0
    5.1873   -7.5117    0.0000 O   0  0
    6.4855   -8.2648    0.0000 C   0  0
    7.7858   -7.5171    0.0000 O   0  0
    6.4833   -9.7656    0.0000 N   0  0
    7.7815  -10.5187    0.0000 C   0  0
    7.7816  -12.0187    0.0000 C   0  0
    9.0806  -12.7688    0.0000 C   0  0
   10.3797  -12.0188    0.0000 C   0  0
   10.3797  -10.5188    0.0000 C   0  0
    9.0807   -9.7688    0.0000 C   0  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  3 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 13 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11291

> <plate>
PLATE 005

> <well>
B11

> <supplier_cmpd_name>
Diperodon hydrochloride

> <ctcr_id>
4205

> <supplier_cmpd_id>
T0325

> <smiles>
Cl.O=C(Nc1ccccc1)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3

> <pd_targets>
{AMPC,SCN1A,SCN2A,SCN3A}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Hydrolase,"Voltage-gated ion channel","Voltage-gated sodium channel"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"local anesthetic"}

> <synonyms>
{AKOS026749866,"DIPERODON HYDROCHLORIDE",537-12-2,537122,"537 12 2",Diperocaine,Proctodon,"Diperodon (hydrochloride)","Diothane hydrochloride","Diperodon HCl","Diperdon hydrochloride",DSSTox_CID_25324
,DSSToxCID25324,DSSTox-CID-25324,"DSSTox CID 25324",DSSTox-CID-253,DSSToxCID253,T0325,Prestw-300,"Diperodon hydrochloride"}

> <pdid>
PD013144

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{57447342,74763964,10830}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  9  0  0  1  0            999 V2000
    5.2000   -1.5000    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0  2  0  0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 N   0  0
    0.0007    0.0004    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7992    0.0004    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  2  8  1  0
  8  9  1  0
  8 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11292

> <plate>
PLATE 005

> <well>
C2

> <supplier_cmpd_name>
DL-Glutamine

> <ctcr_id>
1642

> <supplier_cmpd_id>
T0326

> <smiles>
N[C@H](CCC(N)=O)C(O)=O

> <pd_targets>
{PMP22,BLM,ALOX15,SLC1A5,GPRC6A,CTPS1,PPAT,HIF1A,CYP3A4,TSHR,LMNA}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,Transporter,"Membrane receptor",Oxidoreductase,"Family C G protein-coupled receptor",Transferase,"Transcription factor","Other nuclear protein","Cytochrome P450","Family
 A G protein-coupled receptor","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Glycohormone receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","G protein-coupled receptors","Peptidases and proteinases",Lipoxygenases,"Orphan and other 7TM receptors","PB: Threonine (T) Peptidases","Class C Orphans","C44
: Phosphoribosyl pyrophosphate amidotransferase","Cytochrome P450","CYP3 family","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Developmental Biology","DNA Repair",Metabolism,"Signal Transduction","Nervous system development","DNA Double-Strand Break Repair","Metabolism of lipids","Signaling by GPCR","Metabolism of nucleotid
es","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Interconversio
n of nucleotide di- and triphosphates","Nucleobase biosynthesis","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DPA-derived SPMs","G alpha (q) signallin
g events","Purine ribonucleoside monophosphate biosynthesis","HDR through Homologous Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Homologous DNA Pairing and Strand Exchange","Biosynthesis of DP
An-3-derived protectins and resolvins","Presynaptic phase of homologous DNA pairing and strand exchange","Cellular responses to external stimuli",Disease,"Cell Cycle","Cellular responses to stress","I
nfectious disease",Mitotic,"Cellular response to hypoxia","Leishmania infection","M Phase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs"
,"Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Biosynth
esis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CTPS1,GLUL,GPRC6A,PPAT}

> <broad_moa>
{}

> <synonyms>
{D-glutamine,Dglutamine,5959-95-5,5959955,H-D-Gln-OH,HDGlnOH,"D-2-Aminoglutaramic acid","D2Aminoglutaramic acid","(R)-2,5-diamino-5-oxopentanoic acid","(R)2,5diamino5oxopentanoic acid",L(+)-Glutamine,
L(+)Glutamine,"(2R)-2-amino-4-carbamoylbutanoic acid","(2R)2amino4carbamoylbutanoic acid","D-Glutamic acid 5-amide","DGlutamic acid 5amide",UNII-63HB36CA2Y,UNII63HB36CA2Y,D-Gln,DGln,"(2R)-2,5-diamino-
5-oxopentanoic acid","(2R)2,5diamino5oxopentanoic acid",T0326,T0326L,T6468,1500987,DL-Glutamine,L-Glutamine,"GLUTAMINE (D)"}

> <pdid>
PD001524

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{145815,6992096}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
    5.1884   -7.5113    0.0000 C   0  0
    5.1901   -6.0113    0.0000 N   0  0
    3.8917   -5.2586    0.0000 C   0  0
    3.8934   -3.7577    0.0000 C   0  0
    2.5949   -3.0050    0.0000 O   0  0
    2.5966   -1.5042    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    5.1956   -1.5125    0.0000 C   0  0
    6.4902   -5.2631    0.0000 C   0  0
    9.0023   -3.0060    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  6 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
  2 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11293

> <plate>
PLATE 005

> <well>
C3

> <supplier_cmpd_name>
Diphenhydramine hydrochloride

> <ctcr_id>
10973

> <supplier_cmpd_id>
T0330

> <smiles>
CN(CCOC(c1ccccc1)c1ccccc1)C.Cl

> <pd_targets>
{PMP22,NFO,LMNA,MAPK1,KDM4E,KCNH2,HRH1,SLC22A2,CYP2D6,CHRM1,THPO,HRH4,ADRA1A,SCN1A,SCN2A,SCN3A,CYP1A2,CHRM4,CHRM3,HTT,CHRM5,TSHR,FFP,CHRM2,SLC6A2,HTR2B,HTR2A,SCN5A,HTR2C,SLC22A1}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Other nuclear protein","Epigenetic regulator","Ion channel","Membrane receptor",Transporter,Hydrolase,Kinase,Eraser,"Voltage-gated ion channel","Family A G protein-coup
led receptor","Electrochemical transporter","Cytochrome P450",Transferase,"Protein Kinase","Lysine demethylase","Potassium channels","Small molecule receptor (family A GPCR)","SLC superfamily of solut
e carriers","Cytochrome P450 family 2","Voltage-gated sodium channel","Cytochrome P450 family 1","Peptide receptor (family A GPCR)","CMGC protein kinase group","Jumonji domain-containing","Voltage-gat
ed potassium channel","Monoamine receptor","SLC22 family of organic cation and anion transporters","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Glycohormone receptor","SLC06 neurotransmitt
er transporter family","CMGC protein kinase MAPK family","Histamine receptor","Cytochrome P450 2D6","Acetylcholine receptor","Adrenergic receptor","Cytochrome P450 1A1","Serotonin receptor","CMGC prot
ein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,Transporters,"Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Voltage-gated ion channels","G protein-coupled receptors","SLC superfamily of solute carriers","Cyt
ochrome P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases","Potassium channels","Histamine receptors","SLC22 family of organic cation and anion transporters","CYP2 
family: drug metabolising subset","Acetylcholine receptors (muscarinic)",Adrenoceptors,"CYP1 family","Glycoprotein hormone receptors","SLC6 neurotransmitter transporter family","5-Hydroxytryptamine re
ceptors","Voltage-gated sodium channels","Mitogen-activated protein kinases (MAP kinases)","Voltage-gated potassium channels","Organic cation transporters (OCT)","Monoamine transporter subfamily","ERK
 subfamily"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","Immune System","Muscle contraction","Signal Transduction","Transport of small molecules",Metabolism,Hemostasis,"Gene expression (Transcription)",Disease,"Nervous
 system development",Mitotic,"Innate Immune System","Cardiac conduction","Signaling by GPCR","SLC-mediated transmembrane transport","Biological oxidations","Platelet activation","signaling and aggrega
tion","RNA Polymerase II Transcription","Infectious disease","Disorders of transmembrane transporters","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Toll-like Receptor Ca
scades","Phase 3 - rapid repolarisation","GPCR ligand binding","Transport of bile salts and organic acids","metal ions and amine compounds","Phase I - Functionalization of compounds","Platelet Aggrega
tion (Plug Formation)","Generic Transcription Pathway","Leishmania infection","SLC transporter disorders","Axon guidance","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Class 
A/1 (Rhodopsin-like receptors)","Organic cation/anion/zwitterion transport","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by MECP2","Leishmania parasite growth and surviva
l","Defective SLC6A2 causes orthostatic intolerance (OI)","L1CAM interactions","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Amine ligand-binding receptors","Organic cation transpor
t",Xenobiotics,"Regulation of MECP2 expression and activity","Anti-inflammatory response favouring Leishmania parasite infection","Interaction between L1 and Ankyrins","Nuclear Envelope (NE) Reassembl
y","MAP kinase activation","Histamine receptors","CYP2E1 reactions","Muscarinic acetylcholine receptors",Adrenoceptors,"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B media
ted anti-inflammatory cytokines production","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are 
inactivated"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{"DIPHENHYDRAMINE HYDROCHLORIDE",147-24-0,147240,"Diphenhydramine HCl",Dimedrol,Carphenamine,Allergival,Bendylate,Carphenex,Cathejell,Denydryl,Diphamine,Eldadryl,Fenylhist,Noctomin,Paradryl,Restamin,A
mbenyl,Felben,Prodryl,Bena,Alle,T0330,"Diphenhydramine hydrochloride"}

> <pdid>
PD009823

> <targets>
{"H1 receptor"}

> <classes>
{"GPCR/G Protein",Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{8980}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  1  0            999 V2000
   12.2002   -0.3280    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5987    1.5004    0.0000 N   0  0
    3.9511    0.8815    0.0000 C   0  0
    4.9523    1.9974    0.0000 C   0  0  2  0  0  0
    6.4523    1.9998    0.0000 C   0  0
    7.2002    3.3000    0.0000 C   0  0
    6.4482    4.5979    0.0000 C   0  0
    4.9482    4.5955    0.0000 N   0  0
    4.2002    3.2953    0.0000 C   0  0  2  0  0  0
    2.7342    2.9815    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    1.2997   -3.7504    0.0000 C   0  0
    1.9725   -5.0026    0.0000 C   0  0
    2.7205   -3.7024    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8963   -3.7531    0.0000 C   0  0
   -5.1966   -3.0054    0.0000 O   0  0
   -3.8941   -5.2531    0.0000 O   0  0
    9.7002   -0.3280    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 13 12  1  1
 13  8  1  0
 13 14  1  0
 14  6  1  0
  5 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 24  1  0
 23 27  1  0
 27  4  1  0
 27 18  2  0
 21 28  1  0
 28 29  1  0
 28 30  2  0
M  CHG  2   1  -1  31   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11294

> <plate>
PLATE 005

> <well>
C4

> <supplier_cmpd_name>
Moxifloxacin hydrochloride

> <ctcr_id>
1913

> <supplier_cmpd_id>
T0331

> <smiles>
[Cl-].COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)C(O)=O.[H+]

> <pd_targets>
{SKA,GYRA,GYRB,PARC,KCNH2,SCN5A,PARE,TOP2A}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,Isomerase,"Voltage-gated ion channel","Potassium channels","Voltage-gated sodium channel","Voltage-gated potassium channel"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","DNA topoisomerases","Potassium channels","Voltage-gated sodium channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Muscle contraction","Developmental Biology","Cell Cycle","Cardiac conduction","Nervous system development",Mitotic,"Phase 3 - rapid repolarisation","Axon guidance","Mitotic G1 phase and G1/S transit
ion","L1CAM interactions","G0 and Early G1","Interaction between L1 and Ankyrins","Transcription of E2F targets under negative control by DREAM complex"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{AC-1275,BCP9000963,"Moxifloxacin hydrochloride",186826-86-8,"Moxifloxacin HCl",Avelox,Avalox,Vigamox,"Moxifloxacin (Hydrochloride)","BAY 12-8039",Izilox,UNII-C53598599T,Bay-12-8039,CHEBI:7008,Moxeza,
MFCD00949117,C53598599T,DSSTox_CID_25921,DSSTox_RID_81224,DSSTox_GSID_45921,"Moxifloxacine hydrochloride","186826-86-8 (HCl); 354812-41-2 (free base)",Octegra,Actira,"Vigamox (TN)","Avelox (TN)",MFLX,
CAS-186826-86-8,Moxivig,Vegamox,"BAY12-8039 HCl","Moxifloxacin, HCl",NCGC00095130-01,BAY12-8039,"Moxifloxacin hydrochloride (USAN:USP)","AVELOX IN SODIUM CHLORIDE 0.8 IN PLASTIC CONTAINER",CPD00046918
5,cc-97,C21H25ClFN3O4,SCHEMBL37285,MLS001401368,CHEMBL1200735,DTXSID4045921,ACT02692,AMY25227,BCP03623,Tox21_111439,AL-15469A,CM0156,"Moxifloxacin hydrochloride (JAN/USP)",AKOS015920132,AKOS016015225,
CCG-100924,CS-1063,KS-1181,NC00174,NCGC00271749-02,AT-15459,HY-66011,O381,SMR000469185,BCP0726000173,AB0016427,"Moxifloxacin hydrochloride, >=98 (HPLC)",M2479,S1465,SW197554-3,D00874,S-3681,826M868,Q2
7107395,"186826-86-8  151096-09-2(base)","Moxifloxacin hydrochloride, VETRANAL(TM), analytical standard","Moxifloxacin hydrochloride, European Pharmacopoeia (EP) Reference Standard",SAM001246654}

> <pdid>
PD010166

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{101526}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 11  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0  1  0  0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0  2  0  0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0  1  0  0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0  2  0  0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  6
  5  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11295

> <plate>
PLATE 005

> <well>
C5

> <supplier_cmpd_name>
D-Sorbitol

> <ctcr_id>
1520

> <supplier_cmpd_id>
T0332

> <smiles>
OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{D-Iditol,DIditol,Iditol,25878-23-3,25878233,"(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol","(2R,3S,4S,5R)hexane1,2,3,4,5,6hexol",D-Idit,DIdit,UNII-82FOM4R7CD,UNII82FOM4R7CD,82FOM4R7CD,24557-79-7,24557797,"
Iditol, D-","Iditol, D",9001-32-5,9001325,"EINECS 246-314-3","EINECS 2463143","Iditol, DL-","Iditol, DL",SCHEMBL16549,CHEBI:17459,HMS3264A12,Pharmakon1600-01300043,Pharmakon160001300043,ZINC5131989,MF
CD09,T0332,T0414,T0529,T4959,T3756,1300043,D-Sorbitol,D-Mannitol,Dulcitol,Mannitol,Allitol,SORBITOL}

> <pdid>
PD000463

> <targets>
{}

> <classes>
{"sweetening agent and humectant"}

> <pubchem_cids>
{90540}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -4.0317   -0.7359    0.0000 C   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.2524    0.2436    0.0000 C   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -5.5608    2.8298    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11296

> <plate>
PLATE 005

> <well>
C6

> <supplier_cmpd_name>
Aniracetam

> <ctcr_id>
4317

> <supplier_cmpd_id>
T0333

> <smiles>
COc1ccc(cc1)C(=O)N2CCCC2=O

> <pd_targets>
{CYP1A2,KMT2A,MEN1,CYP2C19,BLM,CYP2C9,THRB,MAPT,KDM4E,CYP2D6,RECQL,GRIA4,GRIA3,GRIA2,GRIA1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Other cytosolic protein","Ion channel","Cytochrome P450",Reader,"Nuclear receptor",Eraser,"Ligand-gated ion channel","Cytochrome P450 family 1",B
romodomain,"Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Lysine demethylase","Ionotropic glutamate receptor","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Nuclear hormo
ne receptor subfamily 1 group A","Jumonji domain-containing","Cytochrome P450 family 2D","AMPA receptor","Cytochrome P450 1A1","Cytochrome P450 2C19","Cytochrome P450 2C9","Nuclear hormone receptor su
bfamily 1 group A member 2","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Cytochrome P450","Nuclear hormone receptors","Chromatin modifying enzymes","Ligand-gated ion channels","CYP1 family","CYP2 family: drug metabolising subset","1A. Thy
roid hormone receptors","1.14.11.- Histone demethylases","Ionotropic glutamate receptors"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Metabolism of proteins","Neuronal System","Biological oxidations","DNA Double-Strand Break Repair","Post-translational protein modification","Transmission across Chemical Syn
apses","Phase I - Functionalization of compounds","Homology Directed Repair",SUMOylation,"Neurotransmitter receptors and postsynaptic signal transmission","Asparagine N-linked glycosylation","Cytochro
me P450 - arranged by substrate type","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","SUMO E3 ligases SUMOylate target proteins","Activation of NMDA receptors and postsy
naptic events","Glutamate binding","activation of AMPA receptors and synaptic plasticity","Transport to the Golgi and subsequent modification",Xenobiotics,"HDR through Homologous Recombination (HRR)",
"SUMOylation of intracellular receptors","Post NMDA receptor activation events","Trafficking of AMPA receptors","ER to Golgi Anterograde Transport","Aromatic amines can be N-hydroxylated or N-dealkyla
ted by CYP1A2","CYP2E1 reactions","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","Trafficking of GluR2-containing AMPA receptors","Long-term potentiation","Carg
o concentration in the ER","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{DRD2,GRIA1,GRIA2,GRIA3,GRIA4,HTR2A}

> <broad_moa>
{"glutamate receptor agonist"}

> <synonyms>
{RESTW117,aniracetam,72432-10-1,72432101,Draganon,Sarpul,1-(4-Methoxybenzoyl)-2-pyrrolidinone,1(4Methoxybenzoyl)2pyrrolidinone,1-(4-methoxybenzoyl)pyrrolidin-2-one,1(4methoxybenzoyl)pyrrolidin2one,Amp
amet,"Ro 13-5057","Ro 135057",1-p-Anisoyl-2-pyrrolidinone,1pAnisoyl2pyrrolidinone,1-p-anisoylpyrrolidin-2-one,1panisoylpyrrolidin2one,UNII-5L16LKN964,UNII5L16LKN964,2-Pyrrolidinone,2Pyrrolidinone,1-(4
-methoxybenzoyl),1(4methoxybenzoyl),T0333,S1281,Prestw-1178,Aniracetam}

> <pdid>
PD001087

> <targets>
{"AMPA Receptor-kainate Receptor-NMDA Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{2196}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 S   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.1032   -2.4253    0.0000 O   0  0
   -6.2524    0.2436    0.0000 N   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -5.5608    2.8298    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
  9 18  1  0
 18 19  2  0
 19  6  1  0
  2 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11297

> <plate>
PLATE 005

> <well>
C7

> <supplier_cmpd_name>
Rosiglitazone

> <ctcr_id>
5579

> <supplier_cmpd_id>
T0334

> <smiles>
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3

> <pd_targets>
{PPARD,TRPC5,PPARA,PPARG,FFAR1,MAOA,CISD2,MAOB,AGTR1A,ABCB11,CISD1,CYP3A4,HSD17B10,KDM4E,HPGD,LMNA,RXRA,RARG,ABCC4,KCNH2,SLC10A1,CA2,TBXAS1,TRPM3,ACSL4}

> <pathway_gtopdb>
{"Transcription factor","Ion channel","Membrane receptor",Enzyme,"Unclassified protein",Transporter,"Epigenetic regulator","Other nuclear protein","Nuclear receptor","Voltage-gated ion channel","Famil
y A G protein-coupled receptor",Oxidoreductase,"Primary active transporter","Cytochrome P450",Eraser,"Electrochemical transporter",Lyase,"Nuclear hormone receptor subfamily 1","Transient receptor pote
ntial channel","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","ATP-binding cassette","Cytochrome P450 family 3","Lysine demethylase","Nuclear hormone receptor subfamily 2
","Potassium channels","SLC superfamily of solute carriers","Cytochrome P450 family 5","Nuclear hormone receptor subfamily 1 group C","Lipid-like ligand receptor (family A GPCR)","Short peptide recept
or (family A GPCR)","ABCB subfamily","Cytochrome P450 family 3A","Jumonji domain-containing","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subfamily 1 group B","ABCC subfami
ly","Voltage-gated potassium channel","SLC10 family of sodium-bile acid co-transporters","Cytochrome P450 family 5A","Nuclear hormone receptor subfamily 1 group C member 2","Nuclear hormone receptor s
ubfamily 1 group C member 1","Nuclear hormone receptor subfamily 1 group C member 3","Free fatty acid receptor","Angiotensin receptor","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 2 group
 B member 1","Nuclear hormone receptor subfamily 1 group B member 3","Cytochrome P450 5A1"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,Transporters,"Nuclear hormone receptors","Voltage-gated ion channels","G protein-coupled receptors","Catecholamine turnover","ATP-binding cassette transporter family"
,"Cytochrome P450","Chromatin modifying enzymes","Eicosanoid turnover","SLC superfamily of solute carriers","Carbonic anhydrases","1C. Peroxisome proliferator-activated receptors","Transient Receptor 
Potential channels","Free fatty acid receptors","Angiotensin receptors","ABCB subfamily","CYP3 family","1.14.11.- Histone demethylases","Prostaglandin synthases","2B. Retinoid X receptors","1B. Retino
ic acid receptors","ABCC subfamily","Potassium channels","SLC10 family of sodium-bile acid co-transporters",CYP5,"CYP7 and CYP8 families","Voltage-gated potassium channels"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Gene expression (Transcription)","Cell Cycle",Hemostasis,"Muscle contraction","Transport of small molecules","The citric acid (TCA) cycle and respiratory electron 
transport","Nervous system development","Metabolism of lipids","RNA Polymerase II Transcription","Integration of energy metabolism","Biological oxidations","Metabolism of amino acids and derivatives",
Mitotic,"Platelet activation","signaling and aggregation","Cardiac conduction","O2/CO2 exchange in erythrocytes","Ion channel transport","Pyruvate metabolism and Citric Acid (TCA) cycle","Axon guidanc
e","Metabolism of steroids","Generic Transcription Pathway","Regulation of insulin secretion","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Br
anched-chain amino acid catabolism","M Phase","Response to elevated platelet cytosolic Ca2+","Phase 3 - rapid repolarisation","Erythrocytes take up carbon dioxide and release oxygen","Stimuli-sensing 
channels","Pyruvate metabolism","Netrin-1 signaling","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional Regulation by MECP2","Free fatty acids regulate insulin secretion","Amin
e Oxidase reactions","Bile acid and bile salt metabolism","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Nuclear Receptor transcription pathway","Platelet degranulation","Cytochr
ome P450 - arranged by substrate type","TRP channels","Regulation of pyruvate dehydrogenase (PDH) complex","Role of second messengers in netrin-1 signaling","Activation of gene expression by SREBF (SR
EBP)","MECP2 regulates transcription factors","Fatty Acids bound to GPR40 (FFAR1) regulate insulin secretion","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Synthesis of b
ile acids and bile salts","Biosynthesis of maresins","Biosynthesis of D-series resolvins","Mitotic Anaphase","Recycling of bile acids and salts",Eicosanoids,"Intracellular metabolism of fatty acids re
gulates insulin secretion","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bi
le salts via 27-hydroxycholesterol","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{FFAR1,PPARG,TRPC5,TRPM3}

> <broad_moa>
{"insulin sensitizer","PPAR receptor agonist"}

> <synonyms>
{rosiglitazone,122320-73-4,122320734,Avandia,"5-(4-(2-(Methyl(pyridin-2-yl)amino)ethoxy)benzyl)thiazolidine-2,4-dione","5(4(2(Methyl(pyridin2yl)amino)ethoxy)benzyl)thiazolidine2,4dione",Brl-49653,Brl4
9653,Rosiglizole,"Brl 49653","rosiglitazone (Avandia)",BRL49653,Avandaryl,"TDZ 01",Avandamet,C18H19N3O3S,CHEBI:50122,MFCD0087176,T0334,1504263,Rosiglitazone,ROSIGLITAZONE}

> <pdid>
PD010041

> <targets>
{Autophagy,Ferroptosis,PPAR,TRP Channel}

> <classes>
{antidiabetic,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{77999}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    5.1422   -5.3703    0.0000 C   0  0
    4.1252   -6.4729    0.0000 C   0  0
    4.5720   -7.9048    0.0000 O   0  0
    2.6611   -6.1428    0.0000 O   0  0
    2.2141   -4.7101    0.0000 C   0  0
    0.7500   -4.3800    0.0000 C   0  0
   -0.2670   -5.4825    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0
   -0.6870   -2.7320    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8141   -2.0807    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22 16  1  0
 22 23  1  0
 22 24  1  0
 24 13  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28  8  1  0
 28 12  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11298

> <plate>
PLATE 005

> <well>
C8

> <supplier_cmpd_name>
Prednisolone-21-acetate

> <ctcr_id>
515

> <supplier_cmpd_id>
T0337

> <smiles>
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C

> <pd_targets>
{HIF1A,NR3C1}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Gene expression (Transcription)","Cellular responses to stress","RNA Polymerase II Transcription","Cellular response to hypoxia","Generic Transcription Pathw
ay","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","FOXO-mediated transcription","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{"Prednisolone 21-acetate","Prednisolone 21acetate","11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate","11,17Dihydroxy3,20dioxopregna1,4dien21yl acetate",MLS000861600,CHEMBL1519597,HMS2802G03,B
BL036317,CCG-43930,CCG43930,STL450998,AKOS025149896,SMR000460384,VS-13418,VS13418,FT-0674006,FT0674006,SR-01000633805-1,SR010006338051,BRD-A83567094-00,BRDA8356709400,T0337,S2570,Prednisolone-21-aceta
te,"Prednisolone Acetate"}

> <pdid>
PD001790

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{4895}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
   15.6025    1.5193    0.0000 C   0  0
   14.3024    0.7712    0.0000 O   0  0
   14.2993   -0.7296    0.0000 C   0  0
   15.5984   -1.4796    0.0000 C   0  0
   15.5984   -2.9796    0.0000 C   0  0
   14.2994   -3.7296    0.0000 C   0  0
   13.0004   -2.9797    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 C   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 18  1  0
 30 22  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11299

> <plate>
PLATE 005

> <well>
C9

> <supplier_cmpd_name>
Carvedilol phosphate

> <ctcr_id>
1656

> <supplier_cmpd_id>
T0342

> <smiles>
COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23

> <pd_targets>
{ADRA2A,ADRA2B,ADRA2C,ADRB1,KDM4E,MAPT,GAA,HTR1B,KCNH2,ADRA1A,ADRA1B,HTR1A,MAPK1,HTR4,ADRB2,ADRA1D,KMT2A,APP,RORC,RYR2,FFP,MTOR,HTR2B,SLC6A4,ADRB3,DRD3,ABCB1,SLC22A2,SLC22A1,SLC6A2,DRD2,HTR2C,SLC6A3,S
LC47A1,TLR4,KCNK2,KCNK10,UGT1A1,HTR2A,HTR6,CACNA1C,NDUFC2,VEGFA,NPPB,GJA1,VCAM1,SELE,HIF1A,KCNJ4,KCNJ2,HCRTR2,HCRTR1}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator","Other cytosolic protein",Enzyme,"Ion channel","Transcription factor",Transporter,"Secreted protein",Adhesion,"Family A G protein-coupled receptor",Eraser,H
ydrolase,"Voltage-gated ion channel",Kinase,Reader,"Nuclear receptor","Ligand-gated ion channel",Transferase,"Electrochemical transporter","Primary active transporter","Small molecule receptor (family
 A GPCR)","Lysine demethylase","Potassium channels","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Ryanodine receptor","SLC superfamily of solute carriers","ATP-binding cassette"
,"Voltage-gated calcium channel","Peptide receptor (family A GPCR)","Monoamine receptor","Jumonji domain-containing","Voltage-gated potassium channel","CMGC protein kinase group","Nuclear hormone rece
ptor subfamily 1 group F","Atypical protein kinase group","SLC06 neurotransmitter transporter family","ABCB subfamily","SLC22 family of organic cation and anion transporters","SLC47 family of multidru
g and toxin extrusion transporters","Two-pore domain potassium channel","Inwardly rectifying potassium channel","Short peptide receptor (family A GPCR)","Adrenergic receptor","Serotonin receptor","CMG
C protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family","Dopamine receptor","Orexin receptor","CMGC protein kinase ERK1","Atypical p
rotein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Chromatin modifying enzymes","3.2.1.- Glycosidases","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Nuclear hormone r
eceptors","SLC superfamily of solute carriers","ATP-binding cassette transporter family","Catalytic receptors","UDP glucuronosyltransferases (UGT)","Other ion channels",Adrenoceptors,"1.14.11.- Histon
e demethylases","5-Hydroxytryptamine receptors","Potassium channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans","R
yanodine receptors",Atypical,"SLC6 neurotransmitter transporter family","Dopamine receptors","ABCB subfamily","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and tox
in extrusion transporters","Pattern recognition receptors","Voltage-gated calcium channels","Connexins and Pannexins","Orexin receptors","Voltage-gated potassium channels","Mitogen-activated protein k
inases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter subfamily","Organic cation transporters (OCT)","Toll-like receptor family","Two P domain po
tassium channels","Inwardly rectifying potassium channels","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Signal Transduction","Muscle contraction","Immune System","Gene expression (Transcription)",Metabolism,"Transport of small molecules","Developmental Biology","Vesicle-media
ted transport",Hemostasis,"Cellular responses to external stimuli","Infectious disease","Transmission across Chemical Synapses","Diseases of metabolism","Signaling by GPCR","Cardiac conduction","Innat
e Immune System","RNA Polymerase II Transcription","Abacavir transport and metabolism","SLC-mediated transmembrane transport","Disorders of transmembrane transporters","Potassium Channels","Nervous sy
stem development","The citric acid (TCA) cycle and respiratory electron transport","Membrane Trafficking","Cytokine Signaling in Immune system","Cell surface interactions at the vascular wall","Cellul
ar responses to stress","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Diseases of carbohydrate metabolism","GPCR ligand binding","Phase 3 - rapid repolarisa
tion","Toll-like Receptor Cascades","Generic Transcription Pathway","Ion homeostasis","Neurotransmitter clearance","Abacavir transmembrane transport","Transport of bile salts and organic acids","metal
 ions and amine compounds","SLC transporter disorders","Tandem pore domain potassium channels","Metabolic disorders of biological oxidation enzymes","Axon guidance","Respiratory electron transport","A
TP synthesis by chemiosmotic coupling","and heat production by uncoupling proteins.","Gap junction trafficking and regulation","Interferon Signaling","Cellular response to hypoxia","Leishmania parasit
e growth and survival","Activation of NMDA receptors and postsynaptic events","Glycogen storage diseases","Class A/1 (Rhodopsin-like receptors)","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional 
regulation by RUNX1","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","Serotonin clearance from the synaptic cleft","Organic cation/anion/zwitterion transport","Defective SLC
6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Toll Like Receptor 4 (TLR4) Cascade","TWIK related potassium channel (TREK)","Defective UGT1
A1 causes hyperbilirubinemia","NCAM signaling for neurite out-growth","Transcriptional regulation by the AP-2 (TFAP2) family of transcription factors","Gap junction trafficking","Interferon gamma sign
aling","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","GABA receptor activation","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor ac
tivation events","Glycogen storage disease type II (GAA)","Amine ligand-binding receptors","MyD88 cascade initiated on plasma membrane","RUNX1 regulates genes involved in megakaryocyte differentiation
 and platelet function","RUNX3 Regulates Immune Response and Cell Migration","Regulation of TP53 Activity","Organic cation transport","MyD88-independent TLR4 cascade","NCAM1 interactions","Complex I b
iogenesis","TFAP2 (AP-2) family regulates transcription of growth factors and their receptors","Gap junction assembly","GABA B receptor activation","Peptide ligand-binding receptors","ADORA2B mediated
 anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Serotonin receptors",Adrenoceptors,"MAP kinase activation","TAK1 activates NFkB by phosphorylation and activation of
 IKKs complex","Regulation of TP53 Expression and Degradation","Dopamine receptors","TRIF(TICAM1)-mediated TLR4 signaling","Transport of connexons to the plasma membrane","Activation of GABAB receptor
s","Orexin and neuropeptides FF and QRFP bind to their respective receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Activation of IRF3/IRF7 mediated b
y TBK1/IKK epsilon","Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","ERK/MAPK targets","ERKs ar
e inactivated"}

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{carvedilol,72956-09-3,72956093,Coreg,Dilatrend,Eucardic,"Carvedilolum (Latin)","BM 14190",Carvedilolum,1-(9H-Carbazol-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)-2-propanol,1(9HCarbazol4yloxy)3((2(
2methoxyphenoxy)ethyl)amino)2propanol,BM-14190,BM14190,"SKF 105517",1-((9H-Carbazol-4-yl)oxy)-3-((2-(2-methoxyphenoxy)ethy,1((9HCarbazol4yl)oxy)3((2(2methoxyphenoxy)ethy,T0342,T0447,S1831,SAM001246736
,1504257,Prestw-1262,"Carvedilol phosphate",Carvedilol,CPD000449280,CARVEDILOL}

> <pdid>
PD001210

> <targets>
{Adrenergic Receptor,Autophagy}

> <classes>
{beta-adrenergic blocker,Neuronal Signaling,Autophagy,GPCR/G Protein}

> <pubchem_cids>
{2585}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    9.0983   -0.7689    0.0000 C   0  0
    7.7972   -1.5154    0.0000 O   0  0
    6.4990   -0.7623    0.0000 C   0  0
    5.1972   -1.5092    0.0000 C   0  0
    3.8990   -0.7562    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5937   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.9019   -5.2406    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2570    0.0000 C   0  0
   -5.1937   -3.0093    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 13 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 12 30  1  0
M  CHG  2  21   1  22  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11300

> <plate>
PLATE 005

> <well>
C10

> <supplier_cmpd_name>
Nimodipine

> <ctcr_id>
6470

> <supplier_cmpd_id>
T0343

> <smiles>
COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC(C)C)C

> <pd_targets>
{MAPT,CACNA1D,LMNA,NFO,BLM,CYP2C19,NR1H4,CYP2J2,ADORA1,ADORA2A,NPSR1,CYP1A2,PMP22,CNR1,ABCB11,FTL,CYP2C9,CACNA1C,NR3C2,CYP3A4,CYP2D6,TRPA1,NR1I2,CACNA1A,CACNA1B,CACNA1E,CACNA1F,CACNA1G,CACNA1H,CACNA1I
,CACNA1S,CACNA2D1,CACNA2D2,CACNA2D3,CACNA2D4,CACNB1,CACNB2,CACNB3,CACNB4,CACNG1,CACNG2,CACNG3,CACNG4,CACNG5,CACNG6,CACNG7,CACNG8,ADORA3,CFTR,AHR,NFKB1,THPO,TSHR,KMT2A,MEN1,CHRM1,LEF}

> <pathway_gtopdb>
{"Other cytosolic protein","Ion channel","Other nuclear protein",Enzyme,"Transcription factor","Membrane receptor","Unclassified protein",Transporter,"Auxiliary transport protein","Epigenetic regulato
r","Voltage-gated ion channel",Protease,Hydrolase,"Cytochrome P450","Nuclear receptor","Family A G protein-coupled receptor","Primary active transporter","Other ion channel","Calcium channel auxiliary
 subunit beta family",Reader,"Voltage-gated calcium channel","Cysteine protease","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Peptide re
ceptor (family A GPCR)","Cytochrome P450 family 1","ATP-binding cassette","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 3","Transient receptor potential channel","Chloride channel",Br
omodomain,"Metallo protease","Cysteine protease CA clan","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group H","Nucleotide-like receptor (family A GPCR)","Short peptide receptor (
family A GPCR)","Cytochrome P450 family 1A","Lipid-like ligand receptor (family A GPCR)","ABCB subfamily","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 family 3A","Cytochrome P450 fa
mily 2D","Nuclear hormone receptor subfamily 1 group I","Cystic fibrosis transmembrane conductance regulator","Glycohormone receptor","Monoamine receptor","Metallo protease MAE clan","Cysteine proteas
e C1A family","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group H member 4","Adenosine receptor","Neuropeptide receptor","Cytochrome P450 1A1","Cannabinoid receptor","Cytochrome P450 
2C9","Nuclear hormone receptor subfamily 3 group C member 2","Cytochrome P450 3A4","Cytochrome P450 2D6","Nuclear hormone receptor subfamily 1 group I member 2","Acetylcholine receptor","Metallo prote
ase M34 family"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,Transporters,"Other protein targets","Voltage-gated ion channels","Cytochrome P450","Nuclear hormone receptors","G protein-coupled receptors","ATP-binding cassette tr
ansporter family","Other ion channels","Aryl hydrocarbon receptor","Voltage-gated calcium channels","CYP2 family: drug metabolising subset","1H. Liver X receptor-like receptors","Adenosine receptors",
"Neuropeptide S receptor","CYP1 family","Cannabinoid receptors","ABCB subfamily","Steroid hormone receptors","CYP3 family","Transient Receptor Potential channels","1I. Vitamin D receptor-like receptor
s","Chloride channels","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","3C. 3-Ketosteroid receptors",CFTR}

> <pathway_reactome>
{"Neuronal System","Developmental Biology","Cell Cycle","DNA Repair",Metabolism,"Signal Transduction",Disease,"Vesicle-mediated transport","Metabolism of proteins","Transport of small molecules",Autop
hagy,"Immune System",Hemostasis,"Transmission across Chemical Synapses","Nervous system development",Mitotic,"DNA Double-Strand Break Repair","Biological oxidations","Metabolism of lipids","Signaling 
by GPCR","Infectious disease","Membrane Trafficking","Post-translational protein modification","Ion channel transport",Macroautophagy,"Cytokine Signaling in Immune system","Platelet activation","signa
ling and aggregation","Neurotransmitter receptors and postsynaptic signal transmission","Axon guidance","M Phase","Homology Directed Repair","Phase I - Functionalization of compounds","Metabolism of s
teroids","GPCR ligand binding","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR downstream signalling","trans-Golgi Network Vesicle Budding",SUMOylation,"B
iosynthesis of specialized proresolving mediators (SPMs)","Stimuli-sensing channels","Selective autophagy","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","Uptake and actions of ba
cterial toxins","Activation of NMDA receptors and postsynaptic events","NCAM signaling for neurite out-growth","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single St
rand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","G alpha (i) 
signalling events","Golgi Associated Vesicle Biogenesis","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DHA-derived SPMs","TRP channels",Aggrephagy,"Interleukin-1 family signaling","Upta
ke and function of anthrax toxins","Post NMDA receptor activation events","NCAM1 interactions","Mitotic Anaphase","HDR through Homologous Recombination (HRR)",Xenobiotics,"Synthesis of bile acids and 
bile salts","Fatty acids","Nucleotide-like (purinergic) receptors","Anti-inflammatory response favouring Leishmania parasite infection","SUMOylation of intracellular receptors","Biosynthesis of maresi
ns","Endogenous sterols","Interleukin-1 signaling","Amine ligand-binding receptors","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exch
ange","CYP2E1 reactions","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Adenosine P1 receptors","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N
-hydroxylated or N-dealkylated by CYP1A2","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Musca
rinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CFTR,NR3C2}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{nimodipine,66085-59-4,66085594,Nimotop,Periplum,Nimodipino,"BAY e 9736",Nimodipinum,Admon,"Nimodipinum (INN-Latin)","Nimodipinum (INNLatin)","Nimodipino (INN-Spanish)","Nimodipino (INNSpanish)","Bay-
E 9736","BayE 9736",Bay-e-9736,Baye9736,Nimodipine-d7,Nimodipined7,CHEBI:7575,"Nimodipine (Nimotop)",C21H26N2O7,MLS000863294,Nymalize,MFCD0,T0343,1503600,Prestw-918,Nimodipine,NIMODIPINE}

> <pdid>
PD000982

> <targets>
{}

> <classes>
{vasodilator}

> <pubchem_cids>
{4497}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4944    3.7531    0.0000 O   0  0
   -6.4922    5.2539    0.0000 S   0  0
   -5.1919    6.0016    0.0000 O   0  0
   -7.7897    6.0066    0.0000 O   0  0
   -6.4894    6.7539    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    3.8900   -1.4008    0.0000 O   0  0
    8.9888    1.0751    0.0000 C   0  0
    8.9888    2.5751    0.0000 C   0  0
    7.6898    3.3251    0.0000 N   0  0
    6.3908    2.5751    0.0000 C   0  0
    6.3908    1.0751    0.0000 C   0  0
    7.6898    0.3251    0.0000 N   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 13 16  2  0
 11 17  2  0
 17 18  1  0
 18 19  2  0
 19  5  1  0
 19  9  1  0
  6 20  1  0
 20  2  1  0
 20 21  1  1
 21 22  1  0
 22 23  1  0
 23  2  1  0
 23 24  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11301

> <plate>
PLATE 005

> <well>
C11

> <supplier_cmpd_name>
Estropipate

> <ctcr_id>
1383

> <supplier_cmpd_id>
T0345

> <smiles>
C[C@]12CC[C@H]3[C@@H](CCc4cc(O[S](O)(=O)=O)ccc34)[C@@H]1CCC2=O.C5CNCCN5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW68,"RESTW 68",Estropipate,7280-37-7,7280377,"7280 37 7","Piperazine estrone sulfate","Piperazine estronesulfate",Ogen,UNII-SVI38UY019,UNIISVI38UY019,"UNII SVI38UY019",SVI38UY019,Harmogen,Estra-1
,Estra1,3,5(10)-trien-17-one,5(10)trien17one,3-(sulfooxy)-,3(sulfooxy),compd.,Prestw-688}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5284555}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 O   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -5.1894    6.0109    0.0000 N   0  0
   -5.3273    7.4917    0.0000 C   0  0
   -6.7945    7.8036    0.0000 C   0  0
   -7.5445    6.5046    0.0000 N   0  0
   -6.5408    5.3898    0.0000 C   0  0
   -5.1943    3.0089    0.0000 C   0  0
   -5.1950    1.5088    0.0000 C   0  0
   -6.4943    0.7593    0.0000 C   0  0
   -7.7931    1.5098    0.0000 C   0  0
   -9.0924    0.7603    0.0000 Cl  0  0
   -7.7925    3.0098    0.0000 C   0  0
   -6.4932    3.7593    0.0000 C   0  0
   -6.4929    4.7593    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
  8 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
  5 23  1  0
 23 24  1  0
 23 25  2  0
 25  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11302

> <plate>
PLATE 005

> <well>
D2

> <supplier_cmpd_name>
Miconazole

> <ctcr_id>
4824

> <supplier_cmpd_id>
T0344

> <smiles>
Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1

> <pd_targets>
{MDH1,HIF1A,RECA,RECQL,CYP19A1,MAPT,CYP3A4,CYP2D6,CNR1,HTR1B,CYP51,PGR,CYP2J2,IDO1,ABCB1,AMPC,CYP1A2,AR,BCHE,CYP17A1,CYP2C19,CYP2C9,RORC,CYP121,HPL,ACHE,CYP8B1,LMNA,DNAB,KMT2A,MEN1,MAPK1,FFP,NPSR1,HTT
,USP2,TP53,GAA,GRM6,PTGS2,ABCB1B,ADORA1,ADORA3,ADRA2B,AGTR2,DRD2,MC3R,MC5R,OPRK1,FYN,SLC6A4,ABCB1A,CYP51A1,ADRA1D,DRD4,SLC6A3,CHRM1,HTR2A,ORAI1,CHRM4,HTR2B,ADRA2A,ADRB1,HRH2,CHRM2,CHRM3,OPRD1,EGFR,HTR
1A,HTR6,TBXAS1,IDO2,SLC6A2,MC4R,TACR2,ADRB3,OPRM1,DRD3,TACR1,CACNA1C,ADORA2A,ERBB2,HTR2C,TRPM2,TRPV5,ERG11,NOS3,NOS2,NR1I2,KCNMA1,KCNMB1,KCNMB2,KCNMB3,KCNMB4,KCNN1,KCNN2,KCNN3,KCNN4,KCNA1,KCNA10,KCNA2
,KCNA3,KCNA4,KCNA5,KCNA6,KCNAB1,KCNAB2,KCNB1,KCNB2,KCNC1,KCNC2,KCNC3,KCNC4,KCND1,KCND2,KCND3,KCNE1,KCNE2,KCNE3,KCNE4,KCNE5,KCNF1,KCNG1,KCNG2,KCNG3,KCNG4,KCNH1,KCNH2,KCNH3,KCNH4,KCNH5,KCNH6,KCNH7,KCNH8
,KCNQ1,KCNQ2,KCNQ3,KCNQ4,KCNQ5,KCNS1,KCNS3,KCNV1,KCNV2,KCNJ12,KCNJ14,KCNJ2,KCNJ4,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other cytosolic protein","Membrane receptor",Transporter,"Unclassified protein","Other nuclear protein","Epigenetic regulator","Ion channel",Oxidoreductase,"Cytochrome 
P450","Family A G protein-coupled receptor","Nuclear receptor","Primary active transporter",Hydrolase,Reader,Kinase,Transferase,Protease,"Family C G protein-coupled receptor","Electrochemical transpor
ter","Other ion channel","Voltage-gated ion channel","Cytochrome P450 family 19","Cytochrome P450 family 3","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Cytochrome P450 family
 51","Nuclear hormone receptor subfamily 3","ATP-binding cassette","Cytochrome P450 family 1","Cytochrome P450 family 17","Nuclear hormone receptor subfamily 1",Bromodomain,"Protein Kinase","Peptide r
eceptor (family A GPCR)","Cysteine protease","Small molecule receptor (family C GPCR)","SLC superfamily of solute carriers","Miscellaneous ion channel","Cytochrome P450 family 5","Voltage-gated calciu
m channel","Transient receptor potential channel","Cytochrome P450 family 19A","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Lipid-like ligand receptor (family A GPCR)","Monoamine receptor"
,"Cytochrome P450 family 51A","Nuclear hormone receptor subfamily 3 group C","ABCB subfamily","Cytochrome P450 family 1A","Cytochrome P450 family 17A","Cytochrome P450 family 2C","Nuclear hormone rece
ptor subfamily 1 group F","CMGC protein kinase group","Short peptide receptor (family A GPCR)","Cysteine protease CA clan","Neurotransmitter receptor (family C GPCR)","Nucleotide-like receptor (family
 A GPCR)","TK protein kinase group","SLC06 neurotransmitter transporter family","Ca2+ release-activated Ca2+ channel family","Cytochrome P450 family 5A","Nuclear hormone receptor subfamily 1 group I",
"Cytochrome P450 19A1","Cytochrome P450 3A4","Cytochrome P450 2D6","Cannabinoid receptor","Serotonin receptor","Cytochrome P450 51A1","Nuclear hormone receptor subfamily 3 group C member 3","Cytochrom
e P450 1A1","Nuclear hormone receptor subfamily 3 group C member 4","Cytochrome P450 17A1","Cytochrome P450 2C19","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group F member 3","CMGC pr
otein kinase MAPK family","Neuropeptide receptor","Cysteine protease C19 family","Metabotropic glutamate receptor","Adenosine receptor","Adrenergic receptor","Angiotensin receptor","Dopamine receptor"
,"Melanocortin receptor","Opioid receptor","Tyrosine protein kinase Src family","Acetylcholine receptor","Histamine receptor","Tyrosine protein kinase EGFR family","Cytochrome P450 5A1","Neurokinin re
ceptor","Nuclear hormone receptor subfamily 1 group I member 2","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","G protein-coupled receptors","1.13.11.- Dioxygenases","ATP-binding cassette transporter family","Nuclear hormone receptors","Acetylcho
line turnover","Kinases (EC 2.7.x.x)","Peptidases and proteinases","3.2.1.- Glycosidases","Eicosanoid turnover","Catalytic receptors","SLC superfamily of solute carriers","Other ion channels","Voltage
-gated ion channels","L-Arginine turnover",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","CYP3 family","CYP2 family: drug metabolising subset","Cannabinoid receptors","5-Hydroxytryptamine receptors","A
BCB subfamily","CYP1 family","Steroid hormone receptors","1F. Retinoic acid-related orphans",CYP5,"CYP7 and CYP8 families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","CA
: Cysteine (C) Peptidases","Metabotropic glutamate receptors",Cyclooxygenase,"Adenosine receptors",Adrenoceptors,"Angiotensin receptors","Dopamine receptors","Melanocortin receptors","Opioid receptors
","Receptor kinases","SLC6 neurotransmitter transporter family",CYP39,"CYP46 and CYP51 families","Acetylcholine receptors (muscarinic)","Store-operated ion channels","Histamine receptors","Tachykinin 
receptors","Voltage-gated calcium channels","Transient Receptor Potential channels","Nitric oxide synthases","1I. Vitamin D receptor-like receptors","3C. 3-Ketosteroid receptors","Mitogen-activated pr
otein kinases (MAP kinases)","C19: Ubiquitin-specific protease","TK: Tyrosine kinase","Monoamine transporter subfamily","Orai channels","ERK subfamily","Non-receptor tyrosine kinases (nRTKs)","Recepto
r tyrosine kinases (RTKs)","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Neuronal System","Signal Transduction","Gene expression (Transcription)","Cell Cycle","Immune System",Disease,Hemostasis,"Developmental Biology","
Transport of small molecules","Metabolism of proteins","Metabolism of carbohydrates","Cellular responses to stress","Biological oxidations","Transmission across Chemical Synapses","Metabolism of lipid
s","Signaling by GPCR","Metabolism of amino acids and derivatives","Abacavir transport and metabolism","RNA Polymerase II Transcription",Mitotic,"Innate Immune System","Infectious disease","Cell Cycle
 Checkpoints","Diseases of metabolism","Disorders of transmembrane transporters","Platelet homeostasis","Nervous system development","Ion channel transport","Signaling by Receptor Tyrosine Kinases","P
ost-translational protein modification","Glucose metabolism","Cellular response to hypoxia","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission"
,"Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","GPCR ligand binding","Tryptophan catabolism","Abacavir transmembrane transport","Generic Transcription Pathwa
y","Phospholipid metabolism","Metabolism of steroids","M Phase","Toll-like Receptor Cascades","Leishmania infection","G1/S DNA Damage Checkpoints","Diseases of carbohydrate metabolism","HIV Infection"
,"Neurotransmitter clearance","SLC transporter disorders","Platelet calcium homeostasis","Axon guidance","Stimuli-sensing channels","Signaling by VEGF","Infection with Mycobacterium tuberculosis",SUMO
ylation,Gluconeogenesis,"Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events"
,"Biosynthesis of DHA-derived SPMs","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX2","Glycerophospholipid biosynthesis","Metabolism of stero
id hormones","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Transcriptional Regulation by MECP2
","Transcriptional Regulation by TP53","p53-Dependent G1/S DNA damage checkpoint","Glycogen storage diseases","Biosynthesis of DPA-derived SPMs","Host Interactions of HIV factors","Serotonin clearance
 from the synaptic cleft","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Elevation of cytosolic Ca2+ levels","G alpha (q) signalling events","Defective SLC6A2 causes orthostatic in
tolerance (OI)","NCAM signaling for neurite out-growth","Semaphorin interactions","TRP channels","VEGFA-VEGFR2 Pathway","Response of Mtb to phagocytosis","SUMO E3 ligases SUMOylate target proteins","E
ndogenous sterols","Post NMDA receptor activation events","Biosynthesis of maresins",Xenobiotics,"Amine ligand-binding receptors","Fatty acids","RUNX2 regulates bone development","Synthesis of PC","An
drogen biosynthesis","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leishmania parasite infe
ction","Regulation of MECP2 expression and activity","Regulation of TP53 Activity","p53-Dependent G1 DNA Damage Response","Glycogen storage disease type II (GAA)","Biosynthesis of DPAn-3 SPMs","Nucleo
tide-like (purinergic) receptors","Peptide ligand-binding receptors","MECP2 regulates neuronal receptors and channels","The role of Nef in HIV-1 replication and disease pathogenesis","Gastrin-CREB sig
nalling pathway via PKC and MAPK",Eicosanoids,"Opioid Signalling","NCAM1 interactions","Sema4D in semaphorin signaling","VEGFR2 mediated vascular permeability","Suppression of phagosomal maturation","
SUMOylation of intracellular receptors","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Serotonin receptors","Aromatic amines can be N-hydroxylated or
 N-dealkylated by CYP1A2","RUNX2 regulates osteoblast differentiation","Sterols are 12-hydroxylated by CYP8B1","Nuclear Envelope (NE) Reassembly","MAP kinase activation","ADORA2B mediated anti-inflamm
atory cytokines production","Regulation of TP53 Expression and Degradation","Stabilization of p53","Adenosine P1 receptors",Adrenoceptors,"Dopamine receptors","Nef and signal transduction","Muscarinic
 acetylcholine receptors","EGFR Transactivation by Gastrin","Tachykinin receptors bind tachykinins","G-protein activation","Sema4D induced cell migration and growth-cone collapse","Inhibition of nitri
c oxide production","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Autodegradation of the E3 ubiquitin ligas
e COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{TRPM2,TRPV5}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{RESTW6,miconazole,22916-47-8,22916478,Monistat,"Monistat IV","Daktarin IV",Miconazol,Miconazolo,Miconazolum,Minostate,Monistat-Derm,MonistatDerm,"MJR 1762","Miconazolum (INN-Latin)","Miconazolum (INN
Latin)",Vusion,Florid(nitrate),1-(2-((2,1(2((2,4-Dichlorobenzyl)oxy)-2-(2,4Dichlorobenzyl)oxy)2(2,4-dichlorophenyl)ethyl)-1H-imida,4dichlorophenyl)ethyl)1Himida,T0344,Prestw-67,Miconazole}

> <pdid>
PD009802

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4189}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 23  0  0  0  0            999 V2000
   15.3972   -3.3824    0.0000 Cl  0  0
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7601    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    3.9051    0.7424    0.0000 O   0  0
    5.1972   -1.5121    0.0000 O   0  0
    6.4998   -0.7667    0.0000 C   0  0
    7.7972   -1.5212    0.0000 C   0  0
    9.0998   -0.7757    0.0000 C   0  0
   10.3964   -1.5298    0.0000 C   0  0
    9.1050    0.7243    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   12.8972   -3.3824    0.0000 Cl  0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 10 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11303

> <plate>
PLATE 005

> <well>
D3

> <supplier_cmpd_name>
Camylofin

> <ctcr_id>
10974

> <supplier_cmpd_id>
T0346

> <smiles>
Cl.CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1.Cl

> <pd_targets>
{SLC22A1}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Transport of small molecules","SLC-mediated transmembrane transport","Transport of bile salts and organic acids","metal ions and amine compounds","Organic cation/anion/zwitterion transport","Organic
 cation transport"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"Camylofin hydrochloride",5892-41-1,5892411,"Camylofine dihydrochloride","camylofin dihydrochloride","Acamylophenine dihydrochloride","5892-41-1 (HCl)","5892411 (HCl)","3-Methylbutyl ((2-(diethylamin
o)ethyl)amino)(phenyl)acetate dihydrochloride","3Methylbutyl ((2(diethylamino)ethyl)amino)(phenyl)acetate dihydrochloride","Acamylophenine hydroch",T0346,Camylofin}

> <pdid>
PD013088

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{23724817}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  0  0            999 V2000
    7.5987   -1.1217    0.0000 Cl  0  0
    5.0987   -1.1217    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 N   0  0
   -2.6131   -7.4988    0.0000 C   0  0
   -3.9147   -8.2443    0.0000 C   0  0
   -5.2111   -7.4898    0.0000 O   0  0
   -5.2060   -5.9898    0.0000 C   0  0
   -3.9043   -5.2443    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11304

> <plate>
PLATE 005

> <well>
D4

> <supplier_cmpd_name>
Minaprine dihydrochloride

> <ctcr_id>
1717

> <supplier_cmpd_id>
T0338

> <smiles>
Cl.Cl.Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3

> <pd_targets>
{CYP3A4,ACHE,LMNA,AMPC,IMPA1,CYP1A2,CHRM1,CYP2D6,MAOA,DRD1,DRD2,HTR2A,HTR2B,HTR2C,SLC6A4}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor",Transporter,"Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor",Oxidoreductase,"Electrochemical transporter","Cytochrome P450 family 3
","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","SLC superfamily of solute carriers","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Monoamin
e receptor","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","Cytochrome P450 3A4","Cytochrome P450 1A1","Acetylcholine receptor","Cytochrome P450 2D6","Dopamine receptor","Sero
tonin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","Acetylcholine turnover","Inositol phosphate turnover","G protein-coupled receptors","Catecholamine turnover","SLC superfamily of solute carriers","CY
P3 family","Inositol monophosphatase","CYP1 family","Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising subset","5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter fa
mily","Dopamine receptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Signal Transduction","Neuronal System",Disease,"Metabolism of lipids",Mitotic,"Inositol phosphate metabolism","Biological oxidations","Signaling by GPCR","Transmission across
 Chemical Synapses","Infectious disease","Biosynthesis of specialized proresolving mediators (SPMs)","Phospholipid metabolism","M Phase","Synthesis of IP2",IP,"and Ins in the cytosol","Phase I - Funct
ionalization of compounds","GPCR ligand binding","Neurotransmitter clearance","Leishmania infection","Biosynthesis of DHA-derived SPMs","Glycerophospholipid biosynthesis","Mitotic Metaphase and Anapha
se","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Amine Oxidase reactions","Serotonin clearance from the synaptic cleft","Leishmania parasite growth and surviv
al","Biosynthesis of maresins","Synthesis of PC","Mitotic Anaphase",Xenobiotics,"Amine ligand-binding receptors","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Anti-inflam
matory response favouring Leishmania parasite infection","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Musc
arinic acetylcholine receptors","CYP2E1 reactions","Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production","Dopamine receptors","Initiation of Nuclear Envelope (NE) Reformation
"}

> <broad_targets>
{ACHE,CHRM1,DRD1,DRD2,HTR2A,HTR2B,HTR2C,MAOA,SLC6A4}

> <broad_moa>
{"serotonin reuptake inhibitor"}

> <synonyms>
{RESTW6,"Minaprine dihydrochloride","MINAPRINE HYDROCHLORIDE",25953-17-7,25953177,"Minaprine (dihydrochloride)",UNII-82Y7NT6DFT,UNII82Y7NT6DFT,30038CB,"Minaprine hydrochloride (USAN)","Minaprine HCl",
82Y7NT6DFT,"AGR 620","MINAPRIN DIHYDROCHLORIDE",4-methyl-N-(2-morpholinoethy,4methylN(2morpholinoethy,T0338,1501120,Prestw-66}

> <pdid>
PD009708

> <targets>
{}

> <classes>
{psychotropic}

> <pubchem_cids>
{33254,25058183}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 25  0  0  0  0            999 V2000
   14.1828   -4.5076    0.0000 Cl  0  0
    5.1937   -3.0093    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4855   -9.7648    0.0000 C   0  0
    7.7846  -10.5149    0.0000 C   0  0
    9.0836   -9.7649    0.0000 C   0  0
   10.3826  -10.5149    0.0000 O   0  0
    9.0836   -8.2649    0.0000 C   0  0
    7.7846   -7.5149    0.0000 C   0  0
   10.3819   -7.5118    0.0000 C   0  0
   11.6822   -8.2596    0.0000 N   0  0
   10.3798   -6.0118    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  3 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 16  1  0
 21 23  1  0
 23 24  1  0
 23 25  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11305

> <plate>
PLATE 005

> <well>
D5

> <supplier_cmpd_name>
Labetalol hydrochloride

> <ctcr_id>
6569

> <supplier_cmpd_id>
T0348

> <smiles>
Cl.CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(N)=O

> <pd_targets>
{ALDH1A1,HPGD,KDM4E,GAA,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,RCE1,STE24,LMNA,SMN1,ADRB1,ADRB2,ADRB3,HSD17B10,CYP2D6,SLC6A3,SIGMAR1,HTR1A,HTR2B,SLC6A2}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Other nuclear protein",Transporter,Oxidoreductase,Eraser,Hydrolase,"Family A G protein-coupled receptor",Protease,Reader,"Cytochrome P450","Electroc
hemical transporter","Lysine demethylase","Small molecule receptor (family A GPCR)","Metallo protease","Methyl-lysine/arginine binding protein","Cytochrome P450 family 2","SLC superfamily of solute ca
rriers","Jumonji domain-containing","Monoamine receptor","Metallo protease MAE clan","Tudor domain","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","Adrenergic receptor","Metal
lo protease M48A subfamily","Cytochrome P450 2D6","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Eicosanoid turnover","Chromatin modifying enzymes","3.2.1.- Glycosidases","G protein-coupled receptors","Cytochrome P450","SLC superfamily of s
olute carriers","Sigma receptors","Prostaglandin synthases","1.14.11.- Histone demethylases",Adrenoceptors,"CYP2 family: drug metabolising subset","SLC6 neurotransmitter transporter family","5-Hydroxy
tryptamine receptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Cell Cycle","Metabolism of RNA","Signal Transduction","Biological oxidations","Metabolism of lipids","Diseases of metabolism",Mitotic,"Metabolism of non-coding RNA","Metabolism of
 amino acids and derivatives","Signaling by GPCR","Infectious disease","Disorders of transmembrane transporters","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving me
diators (SPMs)","Diseases of carbohydrate metabolism","M Phase","snRNP Assembly","Branched-chain amino acid catabolism","GPCR ligand binding","Leishmania infection","SLC transporter disorders","SARS-C
oV Infections","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Glycogen storage diseases","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth an
d survival","Cytochrome P450 - arranged by substrate type","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Potential therapeutics for SARS","Defective SLC6A2 causes orthostatic into
lerance (OI)","Biosynthesis of D-series resolvins","Glycogen storage disease type II (GAA)","Mitotic Anaphase","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasit
e infection",Xenobiotics,"Nuclear Envelope (NE) Reassembly",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Serotonin receptors","Initiation of Nuclear Enve
lope (NE) Reformation"}

> <broad_targets>
{ADRA1D,ADRB1,ADRB2}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{AKOS026749871,"Labetalol hydrochloride",32780-64-6,32780646,"32780 64 6","Labetalol HCL",Amipress,Presdate,"Labetalol (hydrochloride)",Trandate,"ScH 15719W","AH 5158A",UNII-1GEV3BAW9J,UNII1GEV3BAW9J,
"UNII 1GEV3BAW9J",Sch-15719W,Sch15719W,Sch,T0348,S4291,SAM002564217,1503243,Prestw-277,"Labetalol HCl",CPD000058463,"LABETALOL HYDROCHLORIDE"}

> <pdid>
PD009899

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"adrenergic blocker","GPCR & G Protein"}

> <pubchem_cids>
{657196,71412}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    2.5532   -4.4223    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2494    0.0000 F   0  0
   -2.6017    2.9971    0.0000 F   0  0
   -2.6044    4.4969    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  6 12  2  0
 12 13  1  0
 13 14  2  0
 14  4  1  0
 14 15  1  0
 15  2  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11306

> <plate>
PLATE 005

> <well>
D6

> <supplier_cmpd_name>
Riluzole

> <ctcr_id>
2916

> <supplier_cmpd_id>
T0349

> <smiles>
Nc1sc2cc(OC(F)(F)F)ccc2n1

> <pd_targets>
{KCNN3,RORC,CYP3A4,BLM,TP53,GMNN,TRPC5,LMNA,NFKB1,PTR1,KCNH2,KCNN4,CYP1A2,SCN2A,PKM,NPC1,GAA,PYK,SMN1,HTR1A,KCNN2,KCNN1,PMP22,RAB9A,ALOX15,HSD17B10,MAPK1,SLC6A2,SCN10A,SCN11A,SCN1A,SCN3A,SCN4A,SCN5A,S
CN7A,SCN8A,SCN9A,KCND3,KCND2,KCNK4,KCNK2,SLC7A11}

> <pathway_gtopdb>
{"Ion channel","Transcription factor",Enzyme,"Unclassified protein","Other nuclear protein","Other cytosolic protein",Transporter,"Epigenetic regulator","Membrane receptor","Voltage-gated ion channel"
,"Nuclear receptor","Cytochrome P450",Oxidoreductase,Hydrolase,Transferase,Reader,"Family A G protein-coupled receptor",Kinase,"Electrochemical transporter","Potassium channels","Nuclear hormone recep
tor subfamily 1","Cytochrome P450 family 3","Transient receptor potential channel","Cytochrome P450 family 1","Voltage-gated sodium channel","Methyl-lysine/arginine binding protein","Small molecule re
ceptor (family A GPCR)","Protein Kinase","SLC superfamily of solute carriers","Calcium-activated potassium channel","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Voltage-
gated potassium channel","Cytochrome P450 family 1A","Tudor domain","Monoamine receptor","CMGC protein kinase group","SLC06 neurotransmitter transporter family","Two-pore domain potassium channel","SL
C03 and SLC07 families of heteromeric amino acid transporters (HATs)","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cytochrome P450 1A1","Serotonin receptor","CMGC pro
tein kinase MAPK family","SLC07 Cationic amino acid transporter/glycoprotein-associated family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{"Ion channels",Receptors,Enzymes,Transporters,"Voltage-gated ion channels","Nuclear hormone receptors","Cytochrome P450","2.7.1.40 Pyruvate kinases","SLC superfamily of solute carriers","3.2.1.- Glyc
osidases","G protein-coupled receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Potassium channels","1F. Retinoic acid-related orphans","CYP3 family","Transient Receptor Potential channels","CYP
1 family","Voltage-gated sodium channels","SLC65 NPC-type cholesterol transporters","5-Hydroxytryptamine receptors",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC6 neurotransmitter
 transporter family","SLC3 and SLC7 families of heteromeric amino acid transporters (HATs)","Calcium- and sodium-activated potassium channels","Voltage-gated potassium channels","Mitogen-activated pro
tein kinases (MAP kinases)","Monoamine transporter subfamily","Two P domain potassium channels","SLC7 family","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Gene expression (Transcription)",Metabolism,"DNA Repair","Cell Cycle","Developmental Biology","Immune System","Muscle contraction","Transport of small molecules",Disease,"Metabolis
m of RNA","Signal Transduction","Potassium Channels","RNA Polymerase II Transcription","Metabolism of lipids","DNA Double-Strand Break Repair","Cell Cycle Checkpoints",Mitotic,"Nervous system developm
ent","Cytokine Signaling in Immune system","Cardiac conduction","Biological oxidations","Metabolism of carbohydrates","Plasma lipoprotein assembly",remodeling,"and clearance","Diseases of metabolism",
"Metabolism of non-coding RNA","Signaling by GPCR","Signaling by Rho GTPases","Metabolism of amino acids and derivatives","Innate Immune System","Disorders of transmembrane transporters","SLC-mediated
 transmembrane transport","Ca2+ activated K+ channels","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","G1/S DNA Damage Checkpoin
ts","Mitotic G1 phase and G1/S transition","Axon guidance","M Phase","Signaling by Interleukins","Phase 3 - rapid repolarisation","Phase I - Functionalization of compounds","Glucose metabolism","Plasm
a lipoprotein clearance","Diseases of carbohydrate metabolism","snRNP Assembly","GPCR ligand binding","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Rho GTPase cycle","Branched-chai
n amino acid catabolism","Toll-like Receptor Cascades","SLC transporter disorders","Phase 1 - inactivation of fast Na+ channels","Tandem pore domain potassium channels","Transport of inorganic cations
/anions and amino acids/oligopeptides","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","p53-Depen
dent G1/S DNA damage checkpoint","G1/S Transition","Netrin-1 signaling","Mitotic Metaphase and Anaphase","Interleukin-1 family signaling","Cytochrome P450 - arranged by substrate type","L1CAM interact
ions",Glycolysis,"LDL clearance","Glycogen storage diseases","Class A/1 (Rhodopsin-like receptors)","RHOBTB GTPase Cycle","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Defe
ctive SLC6A2 causes orthostatic intolerance (OI)","TWIK related potassium channel (TREK)","Amino acid transport across the plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","Biosyn
thesis of maresins","HDR through Homologous Recombination (HRR)","p53-Dependent G1 DNA Damage Response","Activation of the pre-replicative complex","Role of second messengers in netrin-1 signaling","M
itotic Anaphase","Interleukin-1 signaling",Xenobiotics,"Interaction between L1 and Ankyrins","Glycogen storage disease type II (GAA)","Amine ligand-binding receptors","RHOBTB3 ATPase cycle","Biosynthe
sis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","Stabilization of p53","Nuclear Envelope (NE) Reassemb
ly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Serotonin receptors","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP
 kinase activation","Presynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/
 Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{KCNK10,KCNK2,KCNK4,KCNN4,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,SLC7A11}

> <broad_moa>
{"glutamate inhibitor"}

> <synonyms>
{riluzole,1744-22-5,1744225,Rilutek,2-Amino-6-(trifluoromethoxy)benzothiazole,2Amino6(trifluoromethoxy)benzothiazole,6-(trifluoromethoxy)benzo(d)thiazol-2-amine,6(trifluoromethoxy)benzo(d)thiazol2amin
e,"6-(trifluoromethoxy)-1,3-benzothiazol-2-amine","6(trifluoromethoxy)1,3benzothiazol2amine",RP-54274,RP54274,2-amino-6-trifluoromethoxybenzothiazole,2amino6trifluoromethoxybenzothiazole,2-Benzothiazo
lamine,2Benzothiazolamine,6-(trifluorome,6(trifluorome,T0349,1505348,Riluzole,RILUZOLE}

> <pdid>
PD000919

> <targets>
{GABA Receptor,Sodium Channel}

> <classes>
{anticonvulsant,glutamate release inhibitor,anti-ALS,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{5070}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 N   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
    7.7911    6.0075    0.0000 C   0  0
    9.1416    5.3847    0.0000 N   0  0
   10.1469    6.4980    0.0000 O   0  0
    9.3989    7.7973    0.0000 C   0  0
    9.8644    9.2232    0.0000 C   0  0
    8.8623   10.3393    0.0000 C   0  0
    9.3278   11.7652    0.0000 F   0  0
    7.3946   10.0295    0.0000 C   0  0
    6.9291    8.6036    0.0000 C   0  0
    7.9312    7.4874    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 21 12  1  0
 21 15  1  0
  3 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 29 30  2  3
 30  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11307

> <plate>
PLATE 005

> <well>
D7

> <supplier_cmpd_name>
Risperidal

> <ctcr_id>
4092

> <supplier_cmpd_id>
T0351

> <smiles>
CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCCC5=N1

> <pd_targets>
{HTR3A,ADRB2,HTR1A,HTR1B,SCN10A,HTR2A,DRD2,DRD3,ADRA1A,ADRA1B,ADRA1D,HRH1,ADRA2C,SLC6A4,CYP2C19,PMP22,CYP2D6,HTR2C,ALB,HTR2B,GABRA1,KCNH2,HTR6,CHRM1,HTR1D,SLC6A3,ADRA2B,CACNA1C,CHRM2,TBXA2R,HTR7,H1-0,
HTR1E,DRD4,GLRA1,GSC2,ADRA2A,NET,TSHR,CHRM3,CHRM4,CHRM5,SIGMAR1,HTR1F,ARRB1,ADRB1,CCKBR,OPRK1,DRD5,OPRD1,HTR5A,CCK,CYSLTR1,OPRM1,TAC1,SLC22A2,SLC47A1,HRH2,CACNA1D,CACNA1F,CACNA1S}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor",Transporter,Enzyme,"Unclassified protein","Secreted protein","Other nuclear protein","Ligand-gated ion channel","Family A G protein-coupled receptor","Voltage-gated 
ion channel","Electrochemical transporter","Cytochrome P450",Transferase,"5HT3 receptor","Small molecule receptor (family A GPCR)","Voltage-gated sodium channel","SLC superfamily of solute carriers","
Cytochrome P450 family 2","GABA-A receptor","Potassium channels","Voltage-gated calcium channel","Glycine receptor","Peptide receptor (family A GPCR)","Monoamine receptor","SLC06 neurotransmitter tran
sporter family","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Voltage-gated potassium channel","Lipid-like ligand receptor (family A GPCR)","Glycohormone receptor","Short peptide receptor (
family A GPCR)","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and toxin extrusion transporters","Adrenergic receptor","Serotonin receptor","Dopamine receptor","His
tamine receptor","Cytochrome P450 2C19","Cytochrome P450 2D6","Acetylcholine receptor","Prostanoid receptor","Cholecystokinin receptor","Opioid receptor","Leukotriene receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,Transporters,Enzymes,"Other protein targets","Ligand-gated ion channels","G protein-coupled receptors","Voltage-gated ion channels","SLC superfamily of solute carriers","Cyto
chrome P450","Sigma receptors","5-HT<sub>3</sub> receptors",Adrenoceptors,"5-Hydroxytryptamine receptors","Voltage-gated sodium channels","Dopamine receptors","Histamine receptors","SLC6 neurotransmit
ter transporter family","CYP2 family: drug metabolising subset","GABA<sub>A</sub> receptors","Potassium channels","Acetylcholine receptors (muscarinic)","Voltage-gated calcium channels","Prostanoid re
ceptors","Glycine receptors","Glycoprotein hormone receptors","Cholecystokinin receptors","Opioid receptors","Leukotriene receptors","SLC22 family of organic cation and anion transporters","SLC47 fami
ly of multidrug and toxin extrusion transporters","Monoamine transporter subfamily","Voltage-gated potassium channels","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Neuronal System",Disease,"Signal Transduction","Developmental Biology",Metabolism,"Muscle contraction","Cellular responses to external stimuli","Gene expression (Transcription)","Transport of small 
molecules","Transmission across Chemical Synapses","Infectious disease","Signaling by GPCR","Nervous system development","Biological oxidations","Metabolism of lipids","Cardiac conduction","Disorders 
of transmembrane transporters","Cellular responses to stress","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","SLC-mediated transme
mbrane transport","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","GPCR ligand binding","Axon guidance","Neurotransmitter clearance","Phase I - Functionalizati
on of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Metabolism of steroids","Phase 3 - rapid repolarisation","SLC transporter disorders","Cellular Senescence","SARS-CoV 
Infections","Oncogenic MAPK signaling","GPCR downstream signalling","Generic Transcription Pathway","Transport of bile salts and organic acids","metal ions and amine compounds","Leishmania parasite gr
owth and survival","Class A/1 (Rhodopsin-like receptors)","L1CAM interactions","Serotonin clearance from the synaptic cleft","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt met
abolism","GABA receptor activation","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","NCAM signaling for neurite out-growth","DNA Damage/Telomere Stress Induced Senescence","Potential
 therapeutics for SARS","Signaling by RAS mutants","G alpha (q) signalling events","Transcriptional Regulation by MECP2","G alpha (i) signalling events","Organic cation/anion/zwitterion transport","An
ti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Interaction between L1 and Ankyrins",Xenobiotics,"Recycling of bile acids and salts","NCAM1 interact
ions","Eicosanoid ligand-binding receptors","Formation of Senescence-Associated Heterochromatin Foci (SAHF)","Signaling downstream of RAS mutants","Gastrin-CREB signalling pathway via PKC and MAPK","M
ECP2 regulates neuronal receptors and channels","Peptide ligand-binding receptors","Opioid Signalling","Organic cation transport","ADORA2B mediated anti-inflammatory cytokines production","Serotonin r
eceptors","Dopamine receptors","Histamine receptors",Adrenoceptors,"CYP2E1 reactions","Muscarinic acetylcholine receptors","Prostanoid ligand receptors","LTC4-CYSLTR mediated IL4 production","G-protei
n activation","Tachykinin receptors bind tachykinins"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,DRD1,DRD2,DRD3,DRD4,HRH1,HTR1A,HTR1B,HTR1D,HTR1E,HTR1F,HTR2A,HTR2C,HTR6,HTR7}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{RESTW102,risperidone,106266-06-2,106266062,Risperidal,Risperdal,Rispolept,"Risperdal Consta",Risperin,Rispolin,Sequinan,Apexidone,Risperidonum,Risperidona,"Risperdal M-Tab","Risperdal MTab",Belivon,P
sychodal,Spiron,"R 64 766",C23H27FN4O2,UNII-L6UH7ZF8HC,UNIIL6UH7ZF8HC,"R 64766",R-64766,R64766,"R 64",7,T0351,SAM001246595,Prestw-1029,CPD000466323,Risperidone}

> <pdid>
PD000218

> <targets>
{5-HT Receptor,Dopamine Receptor,P-glycoprotein}

> <classes>
{GPCR/G Protein,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{5073}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -6.4994   -0.7568    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
  5 16  1  0
 16 17  2  0
 17  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11308

> <plate>
PLATE 005

> <well>
D8

> <supplier_cmpd_name>
Osalmid

> <ctcr_id>
10975

> <supplier_cmpd_id>
T0353

> <smiles>
Oc1ccc(NC(=O)c2ccccc2O)cc1

> <pd_targets>
{HSD17B10,LMNA,HPGD,STX1,KMT2A,MEN1,HTT,TP53,KDM4E,AMPC}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Unclassified protein","Epigenetic regulator","Transcription factor",Oxidoreductase,Reader,Eraser,Hydrolase,Bromodomain,"Lysine demethylase","Jumonji domain-containing"
}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Chromatin modifying enzymes","Prostaglandin synthases","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Gene expression (Transcription)","Metabolism of amino acids and derivatives",Mitotic,"Metabolism of lipids","RNA Polymerase II Transcription","Cell Cycle Checkpoints","Branch
ed-chain amino acid catabolism","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","G1/S DNA Damage Checkpoints","Mitotic Metaphase and Anaphase","Bi
osynthesis of DHA-derived SPMs","Transcriptional Regulation by MECP2","p53-Dependent G1/S DNA damage checkpoint","Mitotic Anaphase","Biosynthesis of D-series resolvins","Regulation of MECP2 expression
 and activity","p53-Dependent G1 DNA Damage Response","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin l
igase COP1"}

> <broad_targets>
{}

> <broad_moa>
{"other antibiotic"}

> <synonyms>
{osalmid,526-18-1,526181,2-Hydroxy-N-(4-hydroxyphenyl)benzamide,2HydroxyN(4hydroxyphenyl)benzamide,Oxaphenamide,Osalmide,4'-Hydroxysalicylanilide,4'Hydroxysalicylanilide,Oxaphenamid,Salmidochol,Oksafe
namid,Auxobil,Dribazil,Enidran,Saryuurin,Bilene,Driol,Driol-labaz,Driollabaz,Bilocol,Benzamide,2-hydroxy-N-(4-hydroxyphenyl,2hydroxyN(4hydroxyphenyl,T0353,Osalmid}

> <pdid>
PD013787

> <targets>
{RR,HBV}

> <classes>
{DNA Damage/DNA Repair,Anti-infection}

> <pubchem_cids>
{4602}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 29  0  0  1  0            999 V2000
    2.5981    0.0000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0  2  0  0  0
    2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
    3.8971   -0.7500    0.0000 C   0  0
    5.1962   -1.5000    0.0000 C   0  0
    5.1962   -3.0000    0.0000 C   0  0  1  0  0  0
    6.5611   -2.3779    0.0000 C   0  0
    3.8971   -3.7500    0.0000 C   0  0  1  0  0  0
    4.2297   -5.2071    0.0000 C   0  0
    5.7224   -5.3544    0.0000 C   0  0
    6.3238   -3.9802    0.0000 C   0  0  1  0  0  0
    7.6134   -3.1390    0.0000 C   0  0
    8.8130   -4.0395    0.0000 C   0  0
    8.3272   -5.4587    0.0000 C   0  0
    9.1898   -6.6858    0.0000 O   0  0
    6.8274   -5.4352    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  2  1  0
  8  9  1  0
  9 10  2  3
 11 10  1  6
 11 12  1  0
 12  2  1  0
 12 13  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  1
 15 17  1  0
 17 11  1  0
 17 18  1  1
 18 19  1  0
 20 19  1  6
 20 15  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11309

> <plate>
PLATE 005

> <well>
D9

> <supplier_cmpd_name>
Canrenone

> <ctcr_id>
2991

> <supplier_cmpd_id>
T0354

> <smiles>
C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(=O)O5

> <pd_targets>
{NR3C2}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of intracellular receptors"}

> <broad_targets>
{NR3C2}

> <broad_moa>
{"mineralocorticoid receptor antagonist"}

> <synonyms>
{CANRENONE,976-71-6,976716,Aldadiene,UNII-78O20X9J0U,UNII78O20X9J0U,"Spironolactone Related Compound A",78O20X9J0U,MFCD00071735,Luvion,"NSC 261713",SC-9376,SC9376,DSSTox_CID_25930,DSSToxCID25930,DSSTo
x-CID-25930,"DSSTox CID 25930",DSSTox_RID_81231,DSSToxRID81231,DSSTox-RID-81231,"DSSTox RID 81231","Aldadiene (VAN)",DSSTox_GSID_45930,DSSToxGSID45930,DSSTox-GSID-45930,"DSSTox GSID 45930",Canrenonum,
Canrenona,"Canrenone (USAN:INN)",Prestw-1259,Canrenone}

> <pdid>
PD000548

> <targets>
{Endogenous Metabolite,Mineralocorticoid Receptor}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
{13789}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  9  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 C   0  0
    3.9031    2.2508    0.0000 C   0  0
    5.2032    2.9990    0.0000 O   0  0
    2.6053    3.0031    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  0
  8 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11310

> <plate>
PLATE 005

> <well>
D10

> <supplier_cmpd_name>
Valpramide

> <ctcr_id>
10976

> <supplier_cmpd_id>
T0355

> <smiles>
CCCC(CCC)C(=O)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"epoxide hydolase inhibitor"}

> <synonyms>
{Valpromide,2-PROPYLPENTANAMIDE,2PROPYLPENTANAMIDE,2430-27-5,2430275,Depamide,Dipropylacetamide,Valpramide,"2,2-Di-n-propylacetamide","2,2Dinpropylacetamide","Pentanamide, 2-propyl-","Pentanamide, 2pr
opyl",2-Propylpentamide,2Propylpentamide,2-Propylvaleramide,2Propylvaleramide,2-Ethylvaleramide,2Ethylvaleramide,"Propyl-2 valeramide","Propyl2 valeramide",Depamid,"Valeramide, 2-propyl-","Valeramide,
 2propyl",Val,T0355}

> <pdid>
PD006915

> <targets>
{2-epoxide hydrolase,Limonene-1,Epoxide Hydrolase,HSV}

> <classes>
{Others,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{71113}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  2  0  0  0  0  0            999 V2000
    2.5000    0.0000    0.0000 K   0  3
    0.0000    0.0000    0.0000 I   0  5
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11311

> <plate>
PLATE 005

> <well>
D11

> <supplier_cmpd_name>
Potassium iodide

> <ctcr_id>
5388

> <supplier_cmpd_id>
T0357

> <smiles>
[K+].[I-]

> <pd_targets>
{CA4,SLC12A1,AR,PPP3CA,UBE2T,SLC6A2,EGFR,CA2,GPR39,FYN,BDKRB1,EEF1A1,ENO1,GAPDHS,NME1,P4HB,PDIA3,PRDX1,PSPH,TPI1,TUFM,ESR1,IL3,MT2A,CCS,HDAC1,HDAC4,MPG,SEMG1,SOD1,HDAC8,SIVA1,GLRA1,MDM2,UTRN,ASPA,MMP9
,S100A2,MT3,MT1A,AHSG,APOA1,APOBR,APOE,APOL1,C1QB,C1QC,C1R,C1S,C3,C4B,C4BPA,C4BPB,BRCC3,CLU,CPN1,CPN2,FGA,FN1,HBA1,HBB,HP,IGFALS,ITIH1,ITIH2,ITIH3,ITIH4,KLKB1,KNG1,ORM2,PGLYRP2,PON1,PZP,S100A7,SELENOP
,SERPINA3,SERPINA6,SERPIND1,SHBG,TTR,VTN,HRG,F11,APOBEC1,SEMG2}

> <pathway_gtopdb>
{Enzyme,Lyase,Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC12 family of cation-coupled chloride transporters","Transcription factor","Membrane receptor","Unclassi
fied protein","Epigenetic regulator","Ion channel","Secreted protein",Adhesion,"Nuclear receptor",Phosphatase,Transferase,Kinase,"Family A G protein-coupled receptor",Isomerase,Oxidoreductase,Eraser,"
Ligand-gated ion channel",Ligase,Protease,Hydrolase,"Nuclear hormone receptor subfamily 3","Protein Phosphatase","Protein Kinase","Peptide receptor (family A GPCR)","Histone deacetylase","Glycine rece
ptor","Metallo protease","Serine protease","Nuclear hormone receptor subfamily 3 group C","Serine/threonine protein phosphatase","SLC06 neurotransmitter transporter family","TK protein kinase group","
Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group A","HDAC class I","HDAC class IIa","Metallo protease MAM clan","Serine protease PA clan","Metallo protease MC clan",
"Nuclear hormone receptor subfamily 3 group C member 4","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Bradykinin receptor","Nuclear hormone receptor subfamily 3 group A m
ember 1","Metallo protease M10A subfamily","Serine protease S1A subfamily","Metallo protease M14B subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases",Transporters,"SLC superfamily of solute carriers","SLC12 family of cation-coupled chloride transporters",Receptors,"Ion channels","Other protein targets","Nuclear hormon
e receptors","Catalytic receptors","G protein-coupled receptors","Chromatin modifying enzymes","Ligand-gated ion channels","E3 ubiquitin ligase components","Peptidases and proteinases","Paraoxonase (P
ON) family",Transthyretin,"Steroid hormone receptors","SLC6 neurotransmitter transporter family","Receptor kinases","Orphan and other 7TM receptors","Bradykinin receptors","3.5.1.- Histone deacetylase
s (HDACs)","Glycine receptors","MA: Metallo (M) Peptidases","PA: Serine (S) Peptidases","MC: Metallo (M) Peptidases","3C. 3-Ketosteroid receptors","Monoamine transporter subfamily","TK: Tyrosine kinas
e","Class A Orphans","3A. Estrogen receptors","M10: Matrix metallopeptidase","S1: Chymotrypsin","M14: Carboxypeptidase A","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Ty
pe I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{"Transport of small molecules","O2/CO2 exchange in erythrocytes","Erythrocytes take up carbon dioxide and release oxygen",Disease,"Disorders of transmembrane transporters","SLC transporter disorders"
,"Defective SLC12A1 causes Bartter syndrome 1 (BS1)","Gene expression (Transcription)","Signal Transduction","Metabolism of proteins","Cellular responses to external stimuli",Metabolism,"Immune System
","DNA Repair","Cell Cycle","Neuronal System","Developmental Biology",Hemostasis,"Metabolism of RNA","RNA Polymerase II Transcription","Signaling by GPCR","Post-translational protein modification","In
fectious disease","Cellular responses to stress","Metabolism of carbohydrates","Metabolism of nucleotides","Cytokine Signaling in Immune system","Adaptive Immune System","Metabolism of amino acids and
 derivatives",Translation,"Disorders of Developmental Biology","Base Excision Repair","Innate Immune System",Mitotic,"Transmission across Chemical Synapses","Nervous system development","Response to m
etal ions","Platelet activation","signaling and aggregation","Plasma lipoprotein assembly",remodeling,"and clearance","DNA Double-Strand Break Repair","Diseases of signal transduction by growth factor
 receptors and second messengers","Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)","Diseases of hemostasis","Metabolism of 
lipids","Formation of Fibrin Clot (Clotting Cascade)","mRNA Editing","Generic Transcription Pathway","GPCR downstream signalling","Protein ubiquitination","Leishmania infection","HIV Infection","GPCR 
ligand binding","Cellular response to heat stress","Infection with Mycobacterium tuberculosis","Glucose metabolism","Interconversion of nucleotide di- and triphosphates","Signaling by Interleukins","C
lass I MHC mediated antigen processing & presentation","Serine biosynthesis","Mitochondrial translation","Interferon Signaling","Detoxification of Reactive Oxygen Species","Disorders of Nervous System
 Development","Base-Excision Repair","AP Site Formation","Antimicrobial peptides","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Sch
wann cell myelination","Aspartate and asparagine metabolism","Axon guidance","Metallothioneins bind metals","Response to elevated platelet cytosolic Ca2+","ABC transporter disorders","Plasma lipoprote
in clearance","Post-translational protein phosphorylation","Complement cascade","Homology Directed Repair","Oncogenic MAPK signaling","Neutrophil degranulation","Defects of contact activation system (
CAS) and kallikrein/kinin system (KKS)","Fatty acid metabolism","Metabolism of steroids","Common Pathway of Fibrin Clot Formation","mRNA Editing: C to U Conversion","Transcriptional regulation by RUNX
2","G alpha (i) signalling events","Synthesis of active ubiquitin: roles of E1 and E2 enzymes","Defective SLC6A2 causes orthostatic intolerance (OI)","G alpha (q) signalling events","Leishmania parasi
te growth and survival","Host Interactions of HIV factors","Class A/1 (Rhodopsin-like receptors)","HSF1 activation","Response of Mtb to phagocytosis",Gluconeogenesis,"Interleukin-12 family signaling",
"Antigen processing-Cross presentation","Transcriptional Regulation by TP53","Mitochondrial translation elongation","Transcriptional regulation by RUNX1","Interferon gamma signaling","Pervasive develo
pmental disorders",Depurination,"Mitotic Metaphase and Anaphase","EPH-Ephrin signaling","Platelet degranulation","Defective ABCA1 causes TGD","VLDL clearance","Transcriptional regulation by the AP-2 (
TFAP2) family of transcription factors","Initial triggering of complement","Cell recruitment (pro-inflammatory response)","Activation of C3 and C5","Regulation of Complement cascade","HDR through Homo
logous Recombination (HRR) or Single Strand Annealing (SSA)","Signaling by RAS mutants","Defective factor XII causes hereditary angioedema","Arachidonic acid metabolism","Metal sequestration by antimi
crobial proteins","Metabolism of steroid hormones","Defective factor IX causes hemophilia B","Formation of the Editosome","RUNX2 regulates bone development","Opioid Signalling","Gastrin-CREB signallin
g pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","The role of Nef in HIV-1 replication and disease pathogenesis","Peptide ligand-binding receptors","Man
ipulation of host energy metabolism","Interleukin-12 signaling","ER-Phagosome pathway","TP53 Regulates Metabolic Genes","RUNX1 regulates estrogen receptor mediated transcription","RUNX1 regulates tran
scription of genes involved in interleukin signaling","Loss of function of MECP2 in Rett syndrome","Cleavage of the damaged purine","Mitotic Anaphase","Regulation of TP53 Activity","EPH-ephrin mediate
d repulsion of cells","Creation of C4 and C2 activators","Purinergic signaling in leishmaniasis infection","Processing of DNA double-strand break ends","Signaling downstream of RAS mutants","Synthesis
 of 5-eicosatetraenoic acids","Glucocorticoid biosynthesis","Visual phototransduction","Defective F9 activation","RUNX2 regulates osteoblast differentiation","DARPP-32 events","EGFR Transactivation by
 Gastrin","ADORA2B mediated anti-inflammatory cytokines production","Nef and signal transduction","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates chondrocyte maturation","Gene and protein 
expression by JAK-STAT signaling after Interleukin-12 stimulation","Separation of Sister Chromatids","Regulation of TP53 Expression and Degradation","Classical antibody-mediated complement activation"
,"The canonical retinoid cycle in rods (twilight vision)","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"HSDB 5040","potassium iodide",7681-11-0,7681110,"Potassium iodide (KI)",Pima,"Kali iodide",Thyro-Block,ThyroBlock,"Potassium monoiodide",Knollide,Kisol,"Asmofug E","Potassium diiodide","Dipotassium 
diiodide",Kaliumiodid,potassium;iodide,"Potassium iodide (K2I2)",Pot,S1897,"Potassium Iodide"}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{4875}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  6  4  0  0  0  0            999 V2000
    6.4000   -0.3754    0.0000 Cl  0  0
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 N   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.8993    0.7496    0.0000 N   0  0
    2.6000   -1.5000    0.0000 N   0  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11312

> <plate>
PLATE 005

> <well>
E2

> <supplier_cmpd_name>
Aminoguanidine hydrochloride

> <ctcr_id>
10977

> <supplier_cmpd_id>
T0358

> <smiles>
Cl.NN=C(N)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{AKR1B1,NOS2,TIMP3}

> <broad_moa>
{"nitric oxide synthase inhibitor"}

> <synonyms>
{"Aminoguanidine hydrochloride",1937-19-5,1937195,"Pimagedine hydrochloride",16139-18-7,16139187,"Hydrazinecarboximidamide, monohydrochloride",Aminoguanidinehydrochloride,"Aminoguanidine HCl","Carbaza
midine hydrochloride","Guanylhydrazine hyd",T0358}

> <pdid>

> <targets>
{iNOS}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{2734687}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    4.4991   -8.4771    0.0000 Br  0  0
    3.8490   -7.1253    0.0000 C   0  0
    4.6946   -5.8864    0.0000 C   0  0
    4.0445   -4.5346    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.7031   -5.6606    0.0000 C   0  0
    2.3532   -7.0124    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17  8  1  0
 17 18  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11313

> <plate>
PLATE 005

> <well>
E3

> <supplier_cmpd_name>
chlophenadione

> <ctcr_id>
3670

> <supplier_cmpd_id>
T0360

> <smiles>
Brc1ccc(cc1)C2C(=O)c3ccccc3C2=O

> <pd_targets>
{NPC1,KMT2A,MEN1,GAA,FTL,RAB9A,ALOX5}

> <pathway_gtopdb>
{Transporter,"Epigenetic regulator",Enzyme,Reader,Hydrolase,Bromodomain,"Unclassified protein",Oxidoreductase}

> <pathway_chembl>
{Transporters,Enzymes,"SLC superfamily of solute carriers","3.2.1.- Glycosidases","Chromatin modifying enzymes","SLC65 NPC-type cholesterol transporters","2.1.1.43 Histone methyltransferases (HMTs)","
Eicosanoid turnover",Lipoxygenases}

> <pathway_reactome>
{"Transport of small molecules",Disease,"Gene expression (Transcription)","Plasma lipoprotein assembly",remodeling,"and clearance","Diseases of metabolism","RNA Polymerase II Transcription","Plasma li
poprotein clearance","Diseases of carbohydrate metabolism","Generic Transcription Pathway","LDL clearance","Glycogen storage diseases","Transcriptional regulation by RUNX1","Glycogen storage disease t
ype II (GAA)","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Vesicle-mediated transport","Signal Transduction",Metabolism,"Membrane Trafficking","Signaling by
 Rho GTPases","Metabolism of lipids","trans-Golgi Network Vesicle Budding","Rho GTPase cycle","Biosynthesis of specialized proresolving mediators (SPMs)","Golgi Associated Vesicle Biogenesis","RHOBTB 
GTPase Cycle","Biosynthesis of DPA-derived SPMs","RHOBTB3 ATPase cycle","Biosynthesis of DPAn-3 SPMs","Biosynthesis of DPAn-3-derived 13-series resolvins"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{BROMINDIONE,1146-98-1,1146981,Fluidane,Halinone,Bromophenindione,Haldinone,p-Bromindione,pBromindione,Bromindionum,p-Bromphenylindandione,pBromphenylindandione,"2-(p-Bromophenyl)-1,3-indandione","2(p
Bromophenyl)1,3indandione","2-(4-Bromophenyl)-1,3-indandione","2(4Bromophenyl)1,3indandione","2-(4-bromophenyl)indene-1,3-dione","2(4bromophenyl)indene1,3dione",UNII-OQZ7BND2QN,UNIIOQZ7BND2QN,2-(,2(,T
1515,T0360,1505414,Bromindione,chlophenadione}

> <pdid>
PD000425

> <targets>
{}

> <classes>
{anticoagulant}

> <pubchem_cids>
{14369}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    7.6938   -2.2520    0.0000 Cl  0  5
    5.1932   -3.0130    0.0000 Cl  0  0
    3.8915   -3.7585    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  3
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 S   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  2  0
 17 18  1  0
 18 10  1  0
M  CHG  2   1  -1  10   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11314

> <plate>
PLATE 005

> <well>
E4

> <supplier_cmpd_name>
Ticlopidine hydrochloride

> <ctcr_id>
5244

> <supplier_cmpd_id>
T0362

> <smiles>
[Cl-].Clc1ccccc1C[NH+]2CCc3sccc3C2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"TICLOPIDINE HYDROCHLORIDE",53885-35-1,53885351,"Ticlopidine HCL",Ticlodix,Ticlodone,Ticlid,Panaldine,Tiklid,"5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridine hydrochloride","5(2chlorobenzy
l)4,5,6,7tetrahydrothieno(3,2c)pyridine hydrochloride","Ticlopidine (hydrochloride)",53-32C,5332C,UNII-A1L4914FMF,UNIIA1L4914FMF,SAM001246558,1505677,Prestw-47,CPD000048468,"Ticlopidine hydrochloride"
}

> <pdid>

> <targets>
{}

> <classes>
{"PAF inhibitor"}

> <pubchem_cids>
{65335,657310,11301025}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.0479    2.0470    0.0000 C   0  0  2  0  0  0
   -3.4926    2.4305    0.0000 N   0  0
   -4.5521    1.3675    0.0000 C   0  0
   -4.1610   -0.0806    0.0000 O   0  0
   -6.0026    1.7526    0.0000 C   0  0  2  0  0  0
   -6.3937    3.2007    0.0000 N   0  0
   -7.0621    0.6896    0.0000 C   0  0
   -8.5125    1.0724    0.0000 C   0  0
   -9.5692    0.0078    0.0000 C   0  0
   -9.1756   -1.4396    0.0000 C   0  0
  -10.2323   -2.5042    0.0000 O   0  0
   -7.7253   -1.8225    0.0000 C   0  0
   -6.6686   -0.7579    0.0000 C   0  0
   -0.7488    2.7970    0.0000 C   0  0
   -0.3606    4.2459    0.0000 O   0  0
    2.6003    1.4978    0.0000 C   0  0
    2.6029    2.9978    0.0000 O   0  0
    3.8983    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  6
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
  8 21  1  0
 21  4  1  0
 21 22  2  0
  3 23  1  0
 23 24  1  0
 23 25  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11315

> <plate>
PLATE 005

> <well>
E5

> <supplier_cmpd_name>
Cefadroxil

> <ctcr_id>
561

> <supplier_cmpd_id>
T0366

> <smiles>
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(O)=O

> <pd_targets>
{SLC22A8,SLC15A2,SLC22A6,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PBP3,PBPA,PBP1B,PENA,MAPT,KMT2A,MEN1,ALD}

> <pathway_gtopdb>
{Transporter,Enzyme,"Unclassified protein","Other cytosolic protein","Epigenetic regulator","Electrochemical transporter",Protease,Reader,"SLC superfamily of solute carriers","Serine protease",Bromodo
main,"SLC22 family of organic cation and anion transporters","SLC15 family of peptide transporters","Serine protease SE clan","Serine protease S11 family"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters","SLC15 family of peptide transporters","Organic anion transporters (OATs)"}

> <pathway_reactome>
{"Transport of small molecules","Neuronal System","SLC-mediated transmembrane transport","Transmission across Chemical Synapses","Transport of bile salts and organic acids","metal ions and amine compo
unds","Transport of inorganic cations/anions and amino acids/oligopeptides","Neurotransmitter receptors and postsynaptic signal transmission","Organic cation/anion/zwitterion transport","Proton/oligop
eptide cotransporters","Activation of NMDA receptors and postsynaptic events","Organic anion transport","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{SLC15A1,SLC15A2,SLC22A6,SLC22A8}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{cefadroxil,50370-12-2,50370122,Cephadroxil,"Cefadroxil anhydrous",D-Cefadroxil,DCefadroxil,Cefadroxilo,Cefadroxilum,BL-S578,BLS578,66592-87-8,66592878,UNII-Q525PA8JJB,UNIIQ525PA8JJB,CHEBI:3479,CDX,Q5
25PA8JJB,Oracefal,DSSTox_CID_2749,DSSToxCID2749,DSSTox-CID-2749,"DSSTox CID 2749","Cefadroxil, 95-105","Cefadroxil, 95105",DSSTox_RID_76714,DSSToxRID76714,DSSTox-RID-76714,"DSSTox RID 76714",DSSTox_GS
ID_22749,DSSToxGSID22749,DSSTox-GSID-22749,"DSSTox GSID 22749","MJF 11",T0366,Prestw-434,Cefadroxil}

> <pdid>
PD002441

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{47965,6560167}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 36  0  0  1  0            999 V2000
    1.9438   -6.2113    0.0000 C   0  0
    0.7315   -5.3280    0.0000 C   0  0
   -0.6572   -5.8951    0.0000 C   0  0
    2.0426   -4.5993    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0  2  0  0  0
    3.8971    3.7500    0.0000 F   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -0.3667   -4.3062    0.0000 O   0  0
   -1.1988   -2.7813    0.0000 C   0  0
   -1.7813   -1.3990    0.0000 O   0  0
   -2.1056   -3.9772    0.0000 C   0  0
   -3.5939   -3.7910    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 17 18  1  0
 18 12  1  0
 18 19  1  6
 18 20  1  0
 20  8  1  0
 20 21  1  1
 20 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  0
 25  7  1  0
 25 26  1  6
 25 27  1  0
 27  5  1  0
 27 28  1  0
 28  2  1  0
 27 29  1  6
 29 30  2  0
 29 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11316

> <plate>
PLATE 005

> <well>
E6

> <supplier_cmpd_name>
Fluocinolone acetonide

> <ctcr_id>
3680

> <supplier_cmpd_id>
T0367

> <smiles>
CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

> <pd_targets>
{LMNA,PGR,NR3C1,HIF1A,KDM4E,MAPK1,ANXA1,ANXA2,ANXA3,ANXA4,ANXA5}

> <pathway_gtopdb>
{"Other nuclear protein","Transcription factor","Epigenetic regulator",Enzyme,"Ion channel","Nuclear receptor",Eraser,Kinase,"Other ion channel","Nuclear hormone receptor subfamily 3","Lysine demethyl
ase","Protein Kinase",Annexin,"Nuclear hormone receptor subfamily 3 group C","Jumonji domain-containing","CMGC protein kinase group","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear ho
rmone receptor subfamily 3 group C member 1","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Steroid hormone receptors","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK f
amilies","3C. 3-Ketosteroid receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Cellular responses to external stimuli","Immune System","Signal Transduction",Hemostasis,Mitotic,"RNA Polymerase II Transcription","Cellular responses 
to stress","Innate Immune System","Signaling by GPCR","Cytokine Signaling in Immune system","Platelet activation","signaling and aggregation","M Phase","Generic Transcription Pathway","Cellular respon
se to hypoxia","Toll-like Receptor Cascades","GPCR ligand binding","Signaling by Interleukins","Response to elevated platelet cytosolic Ca2+","Mitotic Metaphase and Anaphase","FOXO-mediated transcript
ion","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin-like receptors)","Interleukin-12 family signaling","Platelet
 degranulation","Mitotic Anaphase","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","MyD88 cascade initiated on plasma membrane","Peptide ligand-binding receptors","Int
erleukin-12 signaling","Nuclear Envelope (NE) Reassembly","MAP kinase activation","Formyl peptide receptors bind formyl peptides and many other ligands","Gene and protein expression by JAK-STAT signal
ing after Interleukin-12 stimulation","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{NR3C1,SERPINA6}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{Spectrum_000819,Spectrum000819,Spectrum-000819,"Spectrum 000819",Spectrum2_000964,Spectrum2000964,Spectrum2-000964,"Spectrum2 000964",Spectrum3_001747,Spectrum3001747,Spectrum3-001747,"Spectrum3 0017
47",Spectrum4_000554,Spectrum4000554,Spectrum4-000554,"Spectrum4 000554",Spectrum5_000710,Spectrum5000710,Spectrum5-000710,"Spectrum5 000710",BSPBio_003454,BSPBio003454,BSPBio-003454,"BSPBio 003454",K
BioGR_001247,KBioGR001247,KBioGR-001247,"KBioGR 001247",KBioSS_001299,KBioSS001299,KBioSS-001299,"KBioSS 001299",SPECTRUM1500302,SPBio_000967,SPBio000967,SPBio-000967,"SPBio 000967",SCHEMBL13046617,KB
io2_001299,KBio2001299,KBio2-001299,"KBio2 001299",KBio2_003867,KBio2003867,KBio2-003867,"KBio2 003867",KBio2_006435,KBio2006435,KBio2-006435,"KBio2 006435",KBio3_002674,KBio3002674,KBio3-002674,"KBio
3 002674",HMS2091,T0367,1500302,"Fluocinolone acetonide","FLUOCINOLONE ACETONIDE"}

> <pdid>
PD002329

> <targets>
{}

> <classes>
{glucocorticoid,antiinflammatory}

> <pubchem_cids>
{6710651}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 39  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 N   0  0
   -2.6131    7.4988    0.0000 C   0  0
   -3.9148    8.2443    0.0000 C   0  0
   -5.2112    7.4898    0.0000 N   0  0
   -5.2060    5.9898    0.0000 C   0  0
   -3.9044    5.2443    0.0000 C   0  0
   -6.5151    8.2330    0.0000 C   0  0
   -7.8111    7.4763    0.0000 C   0  0
   -7.8033    5.9763    0.0000 O   0  0
   -9.1150    8.2195    0.0000 N   0  0
  -10.4642    7.5938    0.0000 C   0  0
  -11.4718    8.7050    0.0000 C   0  0
  -10.7263   10.0066    0.0000 C   0  0
   -9.2580    9.6999    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
    7.6990    5.0036    0.0000 O   0  0
    7.6990    3.5036    0.0000 C   0  0
    6.3997    2.7540    0.0000 O   0  0
    8.9990    2.7536    0.0000 C   0  0
   10.2990    3.5036    0.0000 C   0  0
   10.3004    5.0044    0.0000 C   0  0
    9.0019    5.7553    0.0000 O   0  0
   11.5997    5.7540    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 19  1  0
  5 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  2  0
 28  3  1  0
 28 29  1  0
 29 30  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11317

> <plate>
PLATE 005

> <well>
E7

> <supplier_cmpd_name>
Cinepazide maleate

> <ctcr_id>
7262

> <supplier_cmpd_id>
T0368

> <smiles>
COc1cc(\C=C\C(=O)N2CCN(CC2)CC(=O)N3CCCC3)cc(OC)c1OC.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"cinepazide maleate",26328-04-1,26328041,"26328 04 1",Vasodistal,UNII-Y35B3VA60V,UNIIY35B3VA60V,"UNII Y35B3VA60V","Cinepazide (Maleate)","Cinepazide maleate (JAN)",Y35B3VA60V,"26328-04-1 (maleate)","
26328041 (maleate)","26328 04 1 (ma",S3045,"Cinepazide maleate"}

> <pdid>

> <targets>
{Others,Calcium Channel}

> <classes>
{Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{5282458}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 46 48  0  0  0  0            999 V2000
   -1.2250   -6.6252    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8805   -1.4410    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3042    3.7556    0.0000 O   0  0
   -1.3088    5.2564    0.0000 C   0  0
   -0.0126    6.0112    0.0000 C   0  0
   -6.4955    0.7438    0.0000 S   0  0
   -7.7955    1.4922    0.0000 O   0  0
   -6.4976    2.2438    0.0000 O   0  0
   -6.4940   -0.7570    0.0000 N   0  0
   -7.7924   -1.5082    0.0000 C   0  0
   -7.7909   -3.0082    0.0000 C   0  0
   -6.4912   -3.7570    0.0000 N   0  0
   -6.4897   -5.2570    0.0000 C   0  0
   -5.1929   -3.0058    0.0000 C   0  0
   -5.1943   -1.5058    0.0000 C   0  0
    7.6813    0.4341    0.0000 O   0  0
    7.6813   -1.0659    0.0000 C   0  0
    6.3820   -1.8155    0.0000 O   0  0
    8.9812   -1.8159    0.0000 C   0  0
   10.2812   -1.0659    0.0000 C   0  0
   11.5798   -1.8167    0.0000 O   0  0
   10.2827    0.4349    0.0000 C   0  0
   11.5827    1.1849    0.0000 C   0  0
   12.8812    0.4341    0.0000 O   0  0
   11.5841    2.6849    0.0000 O   0  0
   10.2824   -2.5959    0.0000 C   0  0
    8.9837   -3.3465    0.0000 O   0  0
   11.5816   -3.3456    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14  4  1  0
 14  8  2  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 17 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 27  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  2  0
 38 44  1  0
 44 45  1  0
 44 46  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11318

> <plate>
PLATE 005

> <well>
E8

> <supplier_cmpd_name>
Sildenafil citrate

> <ctcr_id>
3359

> <supplier_cmpd_id>
T0467

> <smiles>
CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(C)CC4.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Revatio,Viagra,"Sildenafil Citrate",S1431}

> <pdid>

> <targets>
{PDE}

> <classes>
{Metabolism}

> <pubchem_cids>
{62853}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5886   -6.0033    0.0000 C   0  0
    1.2919   -5.2492    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11319

> <plate>
PLATE 005

> <well>
E9

> <supplier_cmpd_name>
Xylocaine

> <ctcr_id>
4905

> <supplier_cmpd_id>
T0468

> <smiles>
CCN(CC)CC(=O)Nc1c(C)cccc1C

> <pd_targets>
{SCN2A,AMPC,SCN1A,SCN3A,MAPK1,SCN9A,SCN5A,MAPT,LMNA,CHRM1,SCN4A,SCN10A,ALDH1A1,CYP3A4,GAA,BLM,SCN11A,SCN7A,SCN8A,EGFR}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other cytosolic protein","Other nuclear protein","Membrane receptor","Voltage-gated ion channel",Hydrolase,Kinase,"Family A G protein-coupled receptor",Oxidoreductase,"Cytochrom
e P450","Voltage-gated sodium channel","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","CMGC protein kinase group","Monoamine receptor","Cytochrome P450 family 3A
","TK protein kinase group","CMGC protein kinase MAPK family","Acetylcholine receptor","Cytochrome P450 3A4","Tyrosine protein kinase EGFR family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Voltage-gated ion channels","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cytochrome P450","3.2.1.- Glycosidases","Catalytic receptors","Voltage-gated sodium
 channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors (muscarinic)","CYP3 family","Receptor kinases","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinas
e","ERK subfamily","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Immune System","Neuronal System","Cell Cycle","Signal Transduction",Metabolism,Disease,"DNA Repair","Nervous system development","Innate Immune System","Transmission across C
hemical Synapses",Mitotic,"Signaling by GPCR","Biological oxidations","Metabolism of lipids","Diseases of metabolism","DNA Double-Strand Break Repair","Axon guidance","Toll-like Receptor Cascades","Ne
urotransmitter receptors and postsynaptic signal transmission","M Phase","GPCR ligand binding","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","D
iseases of carbohydrate metabolism","Homology Directed Repair","GPCR downstream signalling","L1CAM interactions","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic ev
ents","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Glycogen storage diseases","HDR through Homologous Recombination (
HRR) or Single Strand Annealing (SSA)","G alpha (q) signalling events","Interaction between L1 and Ankyrins","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","Mitoti
c Anaphase","Amine ligand-binding receptors","Biosynthesis of maresins","Glycogen storage disease type II (GAA)","HDR through Homologous Recombination (HRR)","Gastrin-CREB signalling pathway via PKC a
nd MAPK","MAP kinase activation","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","Homologous DNA P
airing and Strand Exchange","EGFR Transactivation by Gastrin","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous 
DNA pairing and strand exchange","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{EGFR,SCN10A,SCN5A,SCN9A}

> <broad_moa>
{"histamine receptor agonist"}

> <synonyms>
{lidocaine,137-58-6,137586,Lignocaine,Xylocaine,"2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide","2(Diethylamino)N(2,6dimethylphenyl)acetamide",Lidoderm,Anestacon,Esracaine,Duncaine,Alphacaine,Cappi
caine,Gravocain,Isicaina,L-Caine,LCaine,Leostesin,Maricaine,Xylocain,Xylocitin,Solcain,Isicaine,Xylestes,T0468,S1357,SAM001247018,Lidocaine,CPD000058189}

> <pdid>
PD003120

> <targets>
{"Histamine Receptor",Apoptosis,ERK,MEK,NF-ºB,"Sodium Channel"}

> <classes>
{Neuronal Signaling,Apoptosis,MAPK/ERK Pathway,Membrane Transporter/Ion Channel,NF-ºB,Stem Cell/Wnt}

> <pubchem_cids>
{3676}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 11  0  0  0  0            999 V2000
    6.3982   -1.1283    0.0000 Cl  0  0
    3.8926   -3.7566    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11320

> <plate>
PLATE 005

> <well>
E10

> <supplier_cmpd_name>
Octopamine hydrochloride

> <ctcr_id>
3377

> <supplier_cmpd_id>
T0469

> <smiles>
Cl.NCC(O)c1ccc(O)cc1

> <pd_targets>
{TAAR1,KDM4E,ALOX15,APEX1,ALD,HTR3A}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator",Enzyme,"Ion channel","Family A G protein-coupled receptor",Eraser,Oxidoreductase,"Ligand-gated ion channel","Small molecule receptor (family A GPCR)","Lysin
e demethylase","5HT3 receptor","Monoamine receptor","Jumonji domain-containing","Trace amine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","Chromatin modifying enzymes","Eicosanoid turnover","Ligand-gated ion channels","Trace amine receptor","1.14.11.- Histone demethylases",
Lipoxygenases,"5-HT<sub>3</sub> receptors"}

> <pathway_reactome>
{Disease,Metabolism,"DNA Repair","Neuronal System","Infectious disease","Metabolism of lipids","Base Excision Repair","Transmission across Chemical Synapses","Leishmania infection","Biosynthesis of sp
ecialized proresolving mediators (SPMs)","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania parasite growth and survival","Biosynthes
is of DPA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs
","PCNA-Dependent Long Patch Base Excision Repair","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{F10,TAAR1}

> <broad_moa>
{"trace amine associated receptor agonist"}

> <synonyms>
{"-)-OCTOPAMINE HYDROCHLORID",")OCTOPAMINE HYDROCHLORID",SCHEMBL9125963,770-05-8,770058,"Octopamine hydrochloride","dl-Octopamine hydrochloride","dlOctopamine hydrochloride","Octopamine HCL","4-(2-ami
no-1-hydroxyethyl)phenol hydrochloride","4(2amino1hydroxyethyl)phenol hydrochloride","(+,-)-Octopamine HCl","(+,)Octopamine HCl","(+/-)-Octopamine hydrochloride","(+/)Octopamine hydrochloride",Epireno
r,Norfen,Oc,T0469,1500639,Prestw-949,"OCTOPAMINE HYDROCHLORIDE","(+,-)-Octopamine hydrochloride"}

> <pdid>
PD013281

> <targets>
{}

> <classes>
{"adrenergic agonist"}

> <pubchem_cids>
{657354,102484,20592}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    5.9606   -1.2012    0.0000 Cl  0  5
    3.4598    0.0000    0.0000 C   0  0
    1.9598    0.0000    0.0000 N   0  3
    1.3858    1.3858    0.0000 C   0  0
    0.0000    1.9598    0.0000 C   0  0
   -1.3858    1.3858    0.0000 O   0  0
   -1.9598    0.0000    0.0000 C   0  0
   -3.4606    0.0000    0.0000 C   0  0
   -4.0948    1.3670    0.0000 C   0  0
   -5.5886    1.5028    0.0000 C   0  0
   -6.4532    0.2771    0.0000 C   0  0
   -5.8240   -1.0845    0.0000 C   0  0
   -4.3302   -1.2204    0.0000 C   0  0
   -1.3858   -1.3858    0.0000 C   0  0
   -2.5768   -2.3012    0.0000 C   0  0
   -2.3810   -3.7883    0.0000 C   0  0
   -0.9951   -4.3623    0.0000 C   0  0
    0.1949   -3.4492    0.0000 C   0  0
    0.0000   -1.9598    0.0000 C   0  0
    1.3858   -1.3858    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  7 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20  3  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11321

> <plate>
PLATE 005

> <well>
E11

> <supplier_cmpd_name>
Nefopam hydrochloride

> <ctcr_id>
1849

> <supplier_cmpd_id>
T0470

> <smiles>
[Cl-].C[NH+]1CCOC(c2ccccc2)c3ccccc3C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Nefopam hydrochloride",23327-57-3,23327573,"Nefopam HCl","Fenazoxine hydrochloride",Acupan,"Nefopam (hydrochloride)","5-Methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine hydrochloride","5Methy
l1phenyl3,4,5,6tetrahydro1H2,5benzoxazocine hydrochloride","Nefopam hydrochloride (USAN)","23327-57-3 (HCl)","23327573 (HCl)",S4180,Prestw-229}

> <pdid>

> <targets>
{²-catenin}

> <classes>
{Stem Cell/Wnt}

> <pubchem_cids>
{155290,57516081,31872}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
   15.5995   -1.4747    0.0000 C   0  0
   14.2989   -0.7273    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2494    0.0000 C   0  0
   -1.3022    5.2508    0.0000 C   0  0
   -0.0044    6.0031    0.0000 O   0  0
   -2.6030    5.9994    0.0000 O   0  0
   -2.6061    7.5002    0.0000 C   0  0
   -3.9062    8.2483    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
 21 22  2  0
 22 12  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 17 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11322

> <plate>
PLATE 005

> <well>
F2

> <supplier_cmpd_name>
Decoquinate

> <ctcr_id>
1409

> <supplier_cmpd_id>
T0471

> <smiles>
CCCCCCCCCCOc1cc2c(O)c(cnc2cc1OCC)C(=O)OCC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{18507-89-6,18507896,"18507 89 6",Deccox,Decoxy,"Ethyl 6-(decyloxy)-7-ethoxy-4-hydroxyquinoline-3-carboxylate","Ethyl 6(decyloxy)7ethoxy4hydroxyquinoline3carboxylate","Ethyl 6 (decyloxy) 7 ethoxy 4 hy
droxyquinoline 3 carboxylate","HC 1528","M&B 15497","NSC 339057",UNII-534I52PVWH,UNII534I52PVWH,"UNII 534I52PVWH",C24H35NO5,"3-Quinolinecarboxylic acid, 6-(decyloxy)-7-ethoxy-4-hydroxy-, ethyl ester",
"3Quinolinecarboxylic acid, 6(decyloxy)7ethoxy4hydroxy, ethyl ester","3 Quinolinecarboxylic acid, 6 (decyloxy) 7 ethoxy 4 hydroxy , ethyl ester",ethyl,1505356,DECOQUINATE}

> <pdid>
PD000915

> <targets>
{}

> <classes>
{coccidiostat}

> <pubchem_cids>
{29112}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5006    0.0000 C   0  0
   -3.8969    0.7474    0.0000 C   0  0
   -3.8946   -0.7535    0.0000 N   0  0
   -5.1920   -1.5063    0.0000 C   0  0
   -2.5942   -1.5010    0.0000 C   0  0
   -2.5994    3.0015    0.0000 C   0  0
   -1.3013    3.7531    0.0000 O   0  0
   -3.8616    2.2295    0.0000 C   0  0
   -5.1613    2.9784    0.0000 C   0  0
   -5.1626    4.4784    0.0000 C   0  0
   -3.8642    5.2295    0.0000 C   0  0
   -2.5645    4.4806    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  9 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11323

> <plate>
PLATE 005

> <well>
F3

> <supplier_cmpd_name>
Venlafaxine hydrochloride

> <ctcr_id>
6826

> <supplier_cmpd_id>
T0472

> <smiles>
COc1ccc(cc1)C(CN(C)C)C2(O)CCCCC2

> <pd_targets>
{SLC6A3,SLC6A2,NET,SLC6A4,ADRA1A,LMNA}

> <pathway_gtopdb>
{Transporter,"Membrane receptor","Other nuclear protein","Electrochemical transporter","Family A G protein-coupled receptor","SLC superfamily of solute carriers","Small molecule receptor (family A GPC
R)","SLC06 neurotransmitter transporter family","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Transporters,Receptors,"SLC superfamily of solute carriers","G protein-coupled receptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"Monoamine transporter subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Signal Transduction","Cell Cycle","Disorders of transmembrane transporters","Transmission across Chemical Synapses","Signaling by GPCR",Mitotic,"SLC transporter disorders",
"Neurotransmitter clearance","GPCR ligand binding","M Phase","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Serotonin clearance from the synaptic cleft","Class A/1 (Rhodopsin-like 
receptors)","Mitotic Metaphase and Anaphase","Defective SLC6A2 causes orthostatic intolerance (OI)","Amine ligand-binding receptors","Mitotic Anaphase",Adrenoceptors,"Nuclear Envelope (NE) Reassembly"
,"Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SLC6A2,SLC6A4}

> <broad_moa>
{"adrenergic inhibitor","norepinephrine reuptake inhibitor","serotoninânorepinephrine reuptake inhibitor (SNRI)"}

> <synonyms>
{RESTW117,CAS_99300-78-4,CAS_99300784,CAS99300-78-4,CAS-99300-78-4,"CAS 99300-78-4",DB-057399,DB057399,FT-0642242,FT0642242,FT-0675793,FT0675793,FT-0675795,FT0675795,C07187,D08670,AB00053751-08,AB0005
375108,AB00053751-10,AB0005375110,AB00053751-11,AB0005375111,AB00053751_12,AB0005375112,AB00053751-12,"AB00053751 12",AB00053751_13,AB0005375113,AB00053751-13,"AB00053751 13",413V695,Q898407,SR-010007
62930-3,SR010007629303,SR-01000762930-4,SR010007629304,BRD-A51714012-001-02-3,BRDA51714012001023,BRD-A51714012-003-01-1,BRDA51714012003011,1-(2-,1(2,T0472,1504171,Prestw-1170,"Venlafaxine hydrochlorid
e",VENLAFAXINE,Venlafaxine}

> <pdid>
PD010124

> <targets>
{}

> <classes>
{antidepressant}

> <pubchem_cids>
{5656}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0
    5.2088    5.9860    0.0000 O   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
  5 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  1  6
 16 18  1  0
 18  3  1  0
 18 19  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11324

> <plate>
PLATE 005

> <well>
F4

> <supplier_cmpd_name>
Arbutin

> <ctcr_id>
3667

> <supplier_cmpd_id>
T0473

> <smiles>
OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

> <pd_targets>
{TYR}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"1.-.-.- Oxidoreductases"}

> <pathway_reactome>
{Metabolism,"Metabolism of amino acids and derivatives","Melanin biosynthesis"}

> <broad_targets>
{TYR}

> <broad_moa>
{"melanin inhibitor"}

> <synonyms>
{497-76-7,497767,Uvasol,Ursin,p-Arbutin,pArbutin,Arbutoside,"4-Hydroxyphenyl beta-D-glucopyranoside","4Hydroxyphenyl betaDglucopyranoside","p-Hydroxyphenyl beta-D-glucoside","pHydroxyphenyl betaDgluco
side",Ursi,beta-Arbutin,betaArbutin,"p-Hydroxyphenyl beta-D-glucopyranoside","pHydroxyphenyl betaDglucopyranoside",Hydroquinone-O-beta-D-glucopyranoside,HydroquinoneObetaDglucopyranoside,4-Hydroxyphen
yl-beta-D-,4HydroxyphenylbetaD,T0473,T4911,300539,Prestw-1026,Arbutin,alpha-Arbutin,ARBUTIN}

> <pdid>
PD002012

> <targets>
{Tyrosinase}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
{440936}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    6.3982    2.6148    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  3
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 N   0  0
   -7.7802   -3.0212    0.0000 C   0  0
   -9.0905   -0.7779    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
   -2.6016    7.4994    0.0000 N   0  0
   -1.3018    8.2481    0.0000 C   0  0
   -3.8996    8.2512    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 11 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
M  CHG  2   1  -1  11   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11325

> <plate>
PLATE 005

> <well>
F5

> <supplier_cmpd_name>
Crystal Violet

> <ctcr_id>
5974

> <supplier_cmpd_id>
T1343L

> <smiles>
[Cl-].CN(C)c1ccc(cc1)[C+](c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"crystal violet (basic violet 3)","Crystal violet","gentian violet",548-62-9,548629,"Basic violet 3","Hexamethylpararosaniline chloride","Aniline Violet","methylrosanilinium chloride","Methyl Violet 
10B","Methylrosaniline chloride","Hexamethyl V",1500315,"GENTIAN VIOLET"}

> <pdid>

> <targets>
{}

> <classes>
{anthelmintic,antibacterial}

> <pubchem_cids>
{23424024,11057}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 60 62  0  0  0  0            999 V2000
   -7.7836   -6.0202    0.0000 C   0  0
   -7.7866   -4.5202    0.0000 C   0  0
   -6.4889   -3.7663    0.0000 O   0  0
   -6.4919   -2.2655    0.0000 C   0  0
   -7.7927   -1.5185    0.0000 O   0  0
   -5.1942   -1.5116    0.0000 C   0  0
   -5.1972   -0.0108    0.0000 C   0  0
   -3.8995    0.7431    0.0000 C   0  0
   -2.5987   -0.0038    0.0000 O   0  0
   -3.9026    2.2439    0.0000 O   0  0
   -2.6048    2.9978    0.0000 C   0  0
   -2.6058    4.4978    0.0000 C   0  0
   -1.3072    5.2487    0.0000 C   0  0
   -0.0077    4.4995    0.0000 C   0  0
    1.2909    5.2503    0.0000 C   0  0
   -0.0067    2.9995    0.0000 O   0  0
   -1.3053    2.2486    0.0000 C   0  0
   -1.3013    0.7478    0.0000 O   0  0
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2989   -2.2502    0.0000 C   0  0
    1.3000   -2.2500    0.0000 C   0  0
    1.3031   -3.7508    0.0000 O   0  0
    0.0054   -4.5047    0.0000 C   0  0
    0.0062   -6.0048    0.0000 C   0  0
   -1.2923   -6.7556    0.0000 C   0  0
   -2.6089   -7.4744    0.0000 C   0  0
    0.0081   -7.4632    0.0000 O   0  0
    0.0836   -8.9613    0.0000 C   0  0
   -2.5918   -6.0065    0.0000 C   0  0
   -3.8904   -6.7573    0.0000 O   0  0
   -2.5928   -4.5065    0.0000 C   0  0
   -3.8923   -3.7573    0.0000 C   0  0
   -1.2943   -3.7556    0.0000 O   0  0
    2.6000   -1.5000    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000   -2.2500    0.0000 C   0  0
    3.9000   -3.7500    0.0000 O   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000   -2.2500    0.0000 C   0  0
    6.4969   -3.7508    0.0000 C   0  0
    5.1968   -4.4990    0.0000 C   0  0
    7.8000   -1.5000    0.0000 C   0  0
    7.7644   -2.9996    0.0000 C   0  0
    9.0812   -0.7199    0.0000 O   0  0
    7.8000    0.0000    0.0000 C   0  0
    9.0989    0.7502    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
   -0.0164    1.4691    0.0000 C   0  0
    2.6163    1.4692    0.0000 O   0  0
   -3.9045    5.2501    0.0000 N   0  0
   -3.9033    6.7501    0.0000 C   0  0
   -5.2043    4.5015    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 11  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 26 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 24  1  0
 22 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 40 43  1  0
 43 44  1  0
 43 45  1  0
 43 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 48 50  1  0
 50 51  2  0
 50 52  1  0
 52 53  1  0
 52 54  1  0
 54 55  1  0
 55 19  1  0
 55 56  1  0
 55 57  1  0
 12 58  1  0
 58 59  1  0
 58 60  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11326

> <plate>
PLATE 005

> <well>
F6

> <supplier_cmpd_name>
Erythromycin ethylsuccinate

> <ctcr_id>
7033

> <supplier_cmpd_id>
T0474

> <smiles>
CCOC(=O)CCC(=O)OC1C(CC(C)OC1OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)N(C)C

> <pd_targets>
{AMPC,RECD,SLCO1B3,SLCO1B1}

> <pathway_gtopdb>
{Enzyme,Transporter,Hydrolase,"Electrochemical transporter","SLC superfamily of solute carriers","SLC21/SLCO family of organic anion transporting polypeptides"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLCO family of organic anion transporting polypeptides"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of steroids","Bile acid and bile salt metabolism","Recycling of bile acids and salts"}

> <broad_targets>
{ABCB1,ALB,CYP3A4,CYP51A1,KCNH2,MLNR,SLC47A1}

> <broad_moa>
{"cytochrome P450 inhibitor","protein synthesis inhibitor"}

> <synonyms>
{"Erythromycin ethyl succinate",1264-62-6,1264626,"Erythromycin, 2'-(ethyl butanedioate)","Erythromycin, 2'(ethyl butanedioate)",ST075191,NCGC00183038-01,NCGC0018303801,CPD001491659,CHEMBL4550869,CHEB
I:94382,HMS3259M20,STK177309,AKOS005410741,MCULE-7434719386,MCULE7434719386,NC00597,SMP2_000005,SMP2000005,SMP2-000005,"SMP2 000005",FT-0625701,FT0625701,5,6-tetrahydr,6tetrahydr,T0474,SAM002564242,"E
rythromycin ethylsuccinate"}

> <pdid>
PD002346

> <targets>
{Antibiotic,Autophagy,Bacterial,HIV}

> <classes>
{Anti-infection,Autophagy}

> <pubchem_cids>
{3256}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 22  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8991    0.7525    0.0000 C   0  0
   -5.1969    1.5045    0.0000 C   0  0
   -5.1945    3.0045    0.0000 C   0  0
   -6.4924    3.7566    0.0000 Cl  0  0
   -3.8943    3.7525    0.0000 C   0  0
   -3.8919    5.2525    0.0000 Cl  0  0
   -2.5965    3.0004    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
 14  7  1  0
  6 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  3  1  0
 20 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11327

> <plate>
PLATE 005

> <well>
F7

> <supplier_cmpd_name>
Sertraline hydrochloride

> <ctcr_id>
3460

> <supplier_cmpd_id>
T0482

> <smiles>
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13

> <pd_targets>
{MAPT,LEF,TP53,LMNA,NFKB1,THPO,CYP3A4,SLC6A3,FTL,RORC,PMP22,ALOX15,MAPK1,SLC6A2,CHRM1,SLC6A4,TSHR,KMT2A,MEN1,GMNN,ADRA1B,CYP1A2,AMPC,ABCB11,CYP2J2,CYP2C19,FFP,LUXR,CYP2D6,SIGMAR1,ADRA2B,ADRA2C,MC5R,CH
RM4,HTR2B,ABCB1,MTOR,HTR2A,CACNA1C,CHRM5,KCNH2,HTR2C,ADRA2A,CHRM2,PGRMC1,HRH1,HTR1A,CHRM3,NET,ADRA1A}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Transcription factor","Other nuclear protein","Unclassified protein",Transporter,"Membrane receptor","Epigenetic regulator","Ion channel",Protease,"Cytochrome P450",
"Electrochemical transporter","Nuclear receptor",Oxidoreductase,Kinase,"Family A G protein-coupled receptor",Reader,Hydrolase,"Primary active transporter",Transferase,"Voltage-gated ion channel","Meta
llo protease","Cytochrome P450 family 3","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1","Protein Kinase","Small molecule receptor (family A GPCR)","Peptide receptor (famil
y A GPCR)",Bromodomain,"Cytochrome P450 family 1","ATP-binding cassette","Cytochrome P450 family 2","Voltage-gated calcium channel","Potassium channels","Metallo protease MAE clan","Cytochrome P450 fa
mily 3A","SLC06 neurotransmitter transporter family","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Monoamine receptor","Glycohormone receptor","Cytochrome P450 family 1A"
,"ABCB subfamily","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Voltage-gated potassium channel","Metallo protease M
34 family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Acetylcholine receptor","Adrenergic receptor","Cytochrome P450 1A1","Cytochr
ome P450 2C19","Cytochrome P450 2D6","Melanocortin receptor","Serotonin receptor","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","Histamine r
eceptor","Dopamine receptor"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Other protein targets","Ion channels","Cytochrome P450","SLC superfamily of solute carriers","Nuclear hormone receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","
G protein-coupled receptors","Chromatin modifying enzymes","ATP-binding cassette transporter family","Sigma receptors","Voltage-gated ion channels","CYP3 family","SLC6 neurotransmitter transporter fam
ily","1F. Retinoic acid-related orphans",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors (muscarinic)","Glycoprotein hormone receptors","2.1.1.43 Histone methylt
ransferases (HMTs)",Adrenoceptors,"CYP1 family","ABCB subfamily","CYP2 family: drug metabolising subset","Melanocortin receptors","5-Hydroxytryptamine receptors",Atypical,"Voltage-gated calcium channe
ls","Potassium channels","Monoamine transporter subfamily","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium ch
annels","ERK subfamily","FRAP subfamily","Histamine receptors","Dopamine receptors"}

> <pathway_reactome>
{"Neuronal System",Disease,"Cell Cycle","Immune System",Hemostasis,Metabolism,"Vesicle-mediated transport","Gene expression (Transcription)","Developmental Biology","Signal Transduction","Muscle contr
action","Transmission across Chemical Synapses","Infectious disease","Cell Cycle Checkpoints",Mitotic,"Cytokine Signaling in Immune system","Platelet activation","signaling and aggregation","Metabolis
m of lipids","Disorders of transmembrane transporters","Membrane Trafficking","RNA Polymerase II Transcription","Nervous system development","Innate Immune System","Signaling by GPCR","Biological oxid
ations","Abacavir transport and metabolism","Cardiac conduction","Neurotransmitter receptors and postsynaptic signal transmission","Uptake and actions of bacterial toxins","G1/S DNA Damage Checkpoints
","M Phase","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","Biosynthesis of specialized proresolving mediators (SPMs)","SLC transporter disorders","trans-Golgi Network Vesicle Bud
ding","Generic Transcription Pathway","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Receptor Cascades","GPCR ligand binding","Neurotransmitter clearance","Leishmania infe
ction","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compounds","Metabolism of steroids","SARS-CoV Infections","Abacavir transmembrane transport","Axon guidance","Phase 3 - ra
pid repolarisation","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax toxins","p53-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","Interleu
kin-1 family signaling","Biosynthesis of DHA-derived SPMs","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX3"
,"Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin-like receptors)","Serotonin clearance from the synaptic cleft","Leishmania parasite growth and survival"
,"G1/S Transition","Defective SLC6A2 causes orthostatic intolerance (OI)","Transcriptional regulation by RUNX1","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Pot
ential therapeutics for SARS","Transcriptional Regulation by TP53","NCAM signaling for neurite out-growth","Post NMDA receptor activation events","p53-Dependent G1 DNA Damage Response","Mitotic Anapha
se","Interleukin-1 signaling","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Amine ligand-b
inding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","RUNX1 regulates genes involved in megakaryocyte differentiation and 
platelet function",Xenobiotics,"Synthesis of bile acids and bile salts","Fatty acids","Regulation of TP53 Activity","NCAM1 interactions","Activation of AMPK downstream of NMDARs","Stabilization of p53
","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation",
"Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors,"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Synthesis of bile acids
 and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions","Serotonin receptors","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of
 Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated","Histamine receptors"}

> <broad_targets>
{SLC6A3,SLC6A4}

> <broad_moa>
{"selective serotonin reuptake inhibitor (SSRI)"}

> <synonyms>
{sertraline,79617-96-2,79617962,(+)-Sertraline,(+)Sertraline,Sertralina,Sertralinum,Zoloft,Lustral,"Cp 51974",UNII-QUC7NX6WMB,UNIIQUC7NX6WMB,cis-(+)-sertraline,cis(+)sertraline,"(1S,4S)-sertraline","(
1S,4S)sertraline",QUC7NX6WMB,CHEMBL809,CHEBI:9123,"Sertralinum (Latin)","Sertralina (Spanish)","Sertraline (INN:BAN)",TB,T0482,Prestw-1014,"Sertraline hydrochloride",Sertraline}

> <pdid>
PD004322

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{68617}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 18  0  0  0  0            999 V2000
   10.1894   -2.2554    0.0000 H   0  3
    7.6894   -2.2554    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 S   0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -5.1996    1.4928    0.0000 O   0  0
   -5.1966   -0.0070    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 15 18  2  0
 13 19  1  0
 19 20  2  0
 20 10  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11328

> <plate>
PLATE 005

> <well>
F8

> <supplier_cmpd_name>
Sotalol hydrochloride

> <ctcr_id>
6494

> <supplier_cmpd_id>
T0483

> <smiles>
[H+].[Cl-].CC(C)NCC(O)c1ccc(N[S](C)(=O)=O)cc1

> <pd_targets>
{BLM,GLA,ADRB1,ADRB2,ADRB3,LMNA,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Ion channel",Hydrolase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Small molecule receptor (family A GPCR)","Potassium chann
els","Monoamine receptor","Voltage-gated potassium channel","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels",Adrenoceptors,"Potassium channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{"DNA Repair",Metabolism,"Cell Cycle",Disease,"Muscle contraction","DNA Double-Strand Break Repair","Metabolism of lipids",Mitotic,"Infectious disease","Cardiac conduction","Homology Directed Repair",
"Sphingolipid metabolism","M Phase","Leishmania infection","Phase 3 - rapid repolarisation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Glycosphingolipid metabolism"
,"Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite in
fection","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Presynaptic phase of homologous DNA pairing and stra
nd exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRB1,ADRB2,KCNH2}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{MCULE-8589076631,MCULE8589076631,"Sotalol hydrochloride",959-24-0,959240,"Sotalol HCL",Betapace,"Betapace AF",Sotalex,Sotacor,"Sotalol (hydrochloride)","MJ 1999","Mead johnson 1999",Sorine,"(+/-)-Sot
alol hydrochloride","(+/)Sotalol hydrochloride","Betapace (TN)","Sotalol (Betapace)",S2509,SAM001246725,Prestw-966,Sotalol,CPD000326828}

> <pdid>
PD009998

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{45371387,66245,67108155}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -1.6193    3.9803    0.0000 C   0  0
   -0.1673    3.6256    0.0000 C   0  0
    0.8689    4.7101    0.0000 C   0  0
    0.4478    6.1498    0.0000 C   0  0
   -1.0096    6.5049    0.0000 C   0  0
   -2.0458    5.4204    0.0000 C   0  0
    1.4846    7.2349    0.0000 S   0  0
    1.0630    8.6745    0.0000 N   0  0
    2.9422    6.8807    0.0000 O   0  0
    2.5203    8.3200    0.0000 O   0  0
   -6.4447    1.8344    0.0000 C   0  0
   -7.3266    3.0478    0.0000 F   0  0
   -7.0551    0.4642    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 10  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 21 23  2  0
 21 24  2  0
 12 25  1  0
 25 26  1  0
 25 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11329

> <plate>
PLATE 005

> <well>
F9

> <supplier_cmpd_name>
Deracoxib

> <ctcr_id>
6944

> <supplier_cmpd_id>
T0484

> <smiles>
COc1ccc(cc1F)c2cc(nn2c3ccc(cc3)[S](N)(=O)=O)C(F)F

> <pd_targets>
{PTGS1,PTGS2,ABCB11}

> <pathway_gtopdb>
{Enzyme,Transporter,Oxidoreductase,"Primary active transporter","ATP-binding cassette","ABCB subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Eicosanoid turnover","ATP-binding cassette transporter family",Cyclooxygenase,"ABCB subfamily"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Arachidonic acid metabolism","Biosynthesis of DPA-deriv
ed SPMs","Bile acid and bile salt metabolism","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of DPAn-3 SPMs","Synthesis of bile acids and bile salts","Synthesis of bile acids a
nd bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{Deracoxib,169590-41-4,169590414,Deramaxx,"SC 46","SC 046","SC 59046",UNII-VX29JB5XWV,UNIIVX29JB5XWV,C17H14F3N3O3S,SC-59046,SC59046,VX29JB5XWV,CHEMBL28636,CHEBI:73032,NCGC00095312-01,NCGC0009531201,DS
STox_CID_25975,DSSToxCID25975,DSSTox-CID-25975,"DSSTox CID 25975",DSSTox_RID_81266,DSSToxRID81266,DSSTox-RID-81266,"DSSTox RID 81266",DSSTox_GSID_45975,DSSToxGSID45975,DSSTox-GSID-45975,"DSSTox GSID 4
5975",Deram,CAS-169590-41-4,CAS169590414,"Deracoxib (U",T0484,1505222,DERACOXIB}

> <pdid>
PD000555

> <targets>
{}

> <classes>
{"COX-2 inhibitor",antiinflammatory,antiarthritic}

> <pubchem_cids>
{3058754}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 36  0  0  1  0            999 V2000
    5.7014   -3.0617    0.0000 C   0  0
    5.2600   -4.4953    0.0000 C   0  0
    6.2812   -5.5941    0.0000 O   0  0
    3.7969   -4.8296    0.0000 O   0  0
    2.7751   -3.7302    0.0000 C   0  0
    1.3120   -4.0645    0.0000 C   0  0
    0.8706   -5.4981    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
   -0.3666   -4.3062    0.0000 N   0  0
    0.7315   -5.3280    0.0000 C   0  0
    0.5504   -6.8170    0.0000 C   0  0
    2.0426   -4.5993    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  8  6  1  6
  8  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 13 12  1  1
 13  8  1  0
 13 14  1  0
 15 14  1  6
 15 16  1  0
 16 17  1  1
 17 18  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  3
 24 25  1  0
 25 19  1  0
 25 26  1  6
 27 25  1  6
 27 16  1  0
 27 28  1  0
 28 29  1  6
 28 30  1  0
 30 31  1  0
 31  8  1  0
 31 15  1  0
 31 32  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11330

> <plate>
PLATE 005

> <well>
F10

> <supplier_cmpd_name>
Deflazacort

> <ctcr_id>
2507

> <supplier_cmpd_id>
T0485

> <smiles>
CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C

> <pd_targets>
{NR3C1}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","FOXO-mediated transcription of oxidative stress","metabolic and neur
onal genes"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{DEFLAZACORT,14484-47-0,14484470,Azacort,Calcort,Oxazacort,Flantadin,Emflaza,Cortax,Deflan,"MDL 458",UNII-KR5YZ6AE4B,UNIIKR5YZ6AE4B,C25H31NO6,DL-458-IT,DL458IT,L-5458,L5458,KR5YZ6AE4B,MDL-458,MDL458,M
FCD00866106,Dezacor,Lantadin,DSSTox_CID_378,DSSToxCID378,DSSTox-CID-378,"DSSTox CID 378",DSSTox_RID_75552,DSSToxRID75552,DSSTox-RID-75552,"DSSTox RID 75552",DSSTox_GSID_20378,DSSToxGSID20378,DSSTox-GS
ID-20378,"DSSTox GSID 20378",Deflazacor,T0485,Prestw-1509,Deflazacort}

> <pdid>
PD001295

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{189821}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 48 49  0  0  1  0            999 V2000
   16.4060   -2.8271    0.0000 O   0  0
   13.9060   -2.8271    0.0000 O   0  0
   11.4060   -2.8271    0.0000 O   0  0
    8.9060   -2.8271    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 N   0  0
    2.4134    4.4924    0.0000 C   0  0
    3.9053    4.6489    0.0000 O   0  0
    1.5317    5.7059    0.0000 C   0  0
    0.0400    5.5491    0.0000 C   0  0
   -0.5701    4.1788    0.0000 C   0  0
    0.3114    2.9665    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0049   -5.9994    0.0000 C   0  0
    1.3026   -5.2471    0.0000 O   0  0
    0.0080   -7.5002    0.0000 N   0  0
    1.3070   -8.2503    0.0000 C   0  0
    1.3071   -9.7503    0.0000 C   0  0
    0.0081  -10.5003    0.0000 C   0  0
   -1.2910   -9.7503    0.0000 C   0  0
   -1.2910   -8.2503    0.0000 C   0  0
    0.0081  -12.0011    0.0000 N   0  0
    1.3060  -12.7532    0.0000 C   0  0
    1.3036  -14.2532    0.0000 C   0  0
    0.0034  -15.0012    0.0000 C   0  0
   -1.2944  -14.2491    0.0000 C   0  0
   -1.2921  -12.7491    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8417    6.7626    0.0000 C   0  0  1  0  0  0
   -1.6934    7.9974    0.0000 O   0  0
   -1.4104    5.3957    0.0000 C   0  0
   -2.8925    5.1650    0.0000 C   0  0
   -0.2316    8.1329    0.0000 C   0  0
   -1.1133    9.3464    0.0000 O   0  0
    1.2601    8.2897    0.0000 O   0  0
    2.1418    7.0762    0.0000 C   0  0
    6.4060   -2.8271    0.0000 H   0  3
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 10  1  0
 16 17  1  0
 17  8  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
 29 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
 22 38  1  0
 38 39  2  0
 39  7  1  0
 39 19  1  0
 14 40  1  0
 40 41  1  6
 40 42  1  0
 42 43  1  0
 40 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 47 13  1  0
M  CHG  2   4  -1  48   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11331

> <plate>
PLATE 005

> <well>
F11

> <supplier_cmpd_name>
Irinotecan hydrochloride trihydrate

> <ctcr_id>
1738

> <supplier_cmpd_id>
T0486

> <smiles>
O.O.O.[Cl-].CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4.[H+]

> <pd_targets>
{RMLC,NCOA1,NCOA3,HPGD,ALDH1A1,GLA,LMNA,KDM4E,HSD17B10,GAA,ACHE,MMP1,CYP3A4,PAX8,ADRA2C,SLC47A1,SLC22A3,SLC47A2,SLC22A1,CHRM4,SLC22A2,TOP1,TOP1MT}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other nuclear protein","Unclassified protein","Membrane receptor",Transporter,Isomerase,Writer,Oxidoreductase,Hydrolase,Eraser,Protease,"Cytochrome P450","Family A G pr
otein-coupled receptor","Electrochemical transporter","Histone acetyltransferase","Lysine demethylase","Cysteine protease","Metallo protease","Cytochrome P450 family 3","Small molecule receptor (famil
y A GPCR)","SLC superfamily of solute carriers","SRC family","Jumonji domain-containing","Cysteine protease CA clan","Metallo protease MAM clan","Cytochrome P450 family 3A","Monoamine receptor","SLC47
 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Cysteine protease C1A family","Metallo protease M10A subfamily","Cytochrome P450 3A4","A
drenergic receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","Eicosanoid turnover","3.2.1.- Glycosidases","Acetylcholine turnover","Peptidases and proteinases","Cytochrome P450","G protein-coupled re
ceptors","SLC superfamily of solute carriers","DNA topoisomerases","2.3.1.48 Histone acetyltransferases (HATs)","Prostaglandin synthases","1.14.11.- Histone demethylases","MA: Metallo (M) Peptidases",
"CYP3 family",Adrenoceptors,"SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Acetylcholine receptors (muscarinic)","M10: Matrix met
allopeptidase","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Immune System","Signal Transduction","Transport of small molecules","Metabolism of proteins","Metabolism of lipids","Biological oxidations",Mitotic,"Metabolism of ami
no acids and derivatives","Diseases of metabolism","Cytokine Signaling in Immune system","Signaling by GPCR","SLC-mediated transmembrane transport","Post-translational protein modification","Metabolis
m of steroids","Regulation of lipid metabolism by PPARalpha","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Sphingolipid metabolism","M Phase",
"Branched-chain amino acid catabolism","Diseases of carbohydrate metabolism","Phospholipid metabolism","Signaling by Interleukins","GPCR ligand binding","Transport of bile salts and organic acids","me
tal ions and amine compounds",SUMOylation,"Bile acid and bile salt metabolism","PPARA activates gene expression","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Glycosphingolipid metabolism","
Mitotic Metaphase and Anaphase","Glycogen storage diseases","Glycerophospholipid biosynthesis","Interleukin-4 and Interleukin-13 signaling","Class A/1 (Rhodopsin-like receptors)","Organic cation/anion
/zwitterion transport","SUMO E3 ligases SUMOylate target proteins","Synthesis of bile acids and bile salts","Biosynthesis of D-series resolvins","Mitotic Anaphase","Glycogen storage disease type II (G
AA)","Synthesis of PC","Biosynthesis of maresins","Amine ligand-binding receptors","Organic cation transport","SUMOylation of DNA replication proteins","Synthesis of bile acids and bile salts via 27-h
ydroxycholesterol","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TOP1,TOP1MT}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{RESTW149,"IRINOTECAN HYDROCHLORIDE Trihydrate",136572-09-3,136572093,"Irinotecan Hcl Trihydrate",Camptosar,Campto,"CPT 11",Onivyde,UNII-042LAQ1IIS,UNII042LAQ1IIS,"CPT-11 Trihydrate","CPT11 Trihydrate
","Irinotecan (hydrochloride trihydrate)",CPT-11,CPT11,042LAQ1IIS,"Irinotecan hydrochloride hydrate",I,S2217,Prestw-1494,"Irinotecan HCl Trihydrate","Irinotecan hydrochloride trihydrate"}

> <pdid>
PD009733

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60837,46911859}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 28  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.3996    1.4837    0.0000 C   0  0
   -9.0964   -0.7636    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.2933    0.7431    0.0000 O   0  0
   10.2933   -0.7569    0.0000 C   0  0
    8.9933   -1.5069    0.0000 C   0  0
    8.9933   -3.0069    0.0000 O   0  0
    7.6933   -0.7569    0.0000 C   0  0
    7.6933    0.7431    0.0000 O   0  0
    6.3940   -1.5065    0.0000 O   0  0
   11.5933   -1.5069    0.0000 C   0  0
   11.5933   -3.0069    0.0000 O   0  0
   12.8926   -0.7573    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
  8 18  1  0
 18 19  2  0
 19  5  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
 21 27  1  0
 27 28  1  0
 27 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11332

> <plate>
PLATE 005

> <well>
G2

> <supplier_cmpd_name>
Metoprolol tartrate

> <ctcr_id>
6107

> <supplier_cmpd_id>
T0487

> <smiles>
COCCc1ccc(OCC(O)CNC(C)C)cc1.OC(C(O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Spectrum_000961,Spectrum000961,Spectrum-000961,"Spectrum 000961",Prestwick0_000733,Prestwick0000733,Prestwick0-000733,"Prestwick0 000733",Prestwick1_000733,Prestwick1000733,Prestwick1-000733,"Prestwi
ck1 000733",Prestwick2_000733,Prestwick2000733,Prestwick2-000733,"Prestwick2 000733",Spectrum2_001057,Spectrum2001057,Spectrum2-001057,"Spectrum2 001057",Spectrum3_000505,Spectrum3000505,Spectrum3-000
505,"Spectrum3 000505",Spectrum4_000059,Spectrum4000059,Spectrum4-000059,"Spectrum4 000059",Spectrum5_001323,Spectrum5001323,Spectrum5-001323,"Spectrum5 001323",SCHEMBL41105,BSPBio_002029,BSPBio002029
,BSPBio-002029,"BSPBio 002029",KBioGR_000557,KBioGR000557,KBioGR-000557,"KBioGR 000557",KBioSS_001441,KBioSS001441,KBioSS-001441,"KBioSS 001441",MLS001146887,DivK1c_000008,DivK1c000008,DivK1c-000008,"
DivK1c 000008",SPECTRUM15004,1500411,"METOPROLOL TARTRATE"}

> <pdid>

> <targets>
{}

> <classes>
{antihypertensive,antianginal}

> <pubchem_cids>
{5702086}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
   -0.8503   -8.0380    0.0000 C   0  0
   -1.2977   -6.6063    0.0000 C   0  0
   -2.7614   -6.2783    0.0000 C   0  0
   -2.3137   -7.7098    0.0000 C   0  0
   -0.2816   -5.5018    0.0000 N   0  0
   -0.7292   -4.0692    0.0000 C   0  0
   -2.1929   -3.7413    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 N   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  8  6  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 21 15  1  0
 21 22  1  6
 21 23  1  0
 23 12  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26  8  1  0
 26 11  1  0
 26 27  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11333

> <plate>
PLATE 005

> <well>
G3

> <supplier_cmpd_name>
Finasteride

> <ctcr_id>
7777

> <supplier_cmpd_id>
T0488

> <smiles>
CC(C)(C)NC(=O)[C@@H]1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C

> <pd_targets>
{SRD5A2,CYP3A4,SRD5A1,HSD3B1,NFKB1,MAPK1,THPO,BLM,LMNA,ABCB11,RORC,ABCC4,CYP2C19,CYP2C9,AKR1D1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Unclassified protein","Other nuclear protein",Transporter,"Transcription factor",Oxidoreductase,"Cytochrome P450",Kinase,"Primary active transporter","Nuclear recept
or","Cytochrome P450 family 3","Protein Kinase","ATP-binding cassette","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2","Cytochrome P450 family 3A","CMGC protein kinase group","ABCB s
ubfamily","Nuclear hormone receptor subfamily 1 group F","ABCC subfamily","Cytochrome P450 family 2C","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 grou
p F member 3","Cytochrome P450 2C19","Cytochrome P450 2C9","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"1.-.-.- Oxidoreductases","Cytochrome P450","Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Nuclear hormone receptors","CYP3 family","CMGC: Containing
 CDK",MAPK,GSK3,"CLK families","ABCB subfamily","1F. Retinoic acid-related orphans","ABCC subfamily","CYP2 family: drug metabolising subset","Mitogen-activated protein kinases (MAP kinases)","ERK subf
amily"}

> <pathway_reactome>
{Metabolism,"Immune System",Hemostasis,"DNA Repair","Cell Cycle","Gene expression (Transcription)","Metabolism of lipids","Cytokine Signaling in Immune system","Innate Immune System","Platelet activat
ion","signaling and aggregation","DNA Double-Strand Break Repair",Mitotic,"RNA Polymerase II Transcription","Biological oxidations","Metabolism of steroids","Biosynthesis of specialized proresolving m
ediators (SPMs)","Signaling by Interleukins","Toll-like Receptor Cascades","Platelet Aggregation (Plug Formation)","Homology Directed Repair","M Phase","Generic Transcription Pathway","Response to ele
vated platelet cytosolic Ca2+","Phase I - Functionalization of compounds","Metabolism of steroid hormones","Biosynthesis of DHA-derived SPMs","Interleukin-1 family signaling","Toll Like Receptor 5 (TL
R5) Cascade","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism","Transcriptional regulation by RUNX3","
Platelet degranulation","Cytochrome P450 - arranged by substrate type","Androgen biosynthesis","Biosynthesis of maresins","Interleukin-1 signaling","MyD88 cascade initiated on plasma membrane","HDR th
rough Homologous Recombination (HRR)","Mitotic Anaphase","Synthesis of bile acids and bile salts","RUNX3 Regulates Immune Response and Cell Migration",Xenobiotics,"Biosynthesis of maresin-like SPMs","
MAP3K8 (TPL2)-dependent MAPK1/3 activation","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-h
ydroxycholesterol","CYP2E1 reactions","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pai
ring and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AKR1D1,SRD5A1,SRD5A2}

> <broad_moa>
{"5 alpha reductase inhibitor"}

> <synonyms>
{W220005,SW220005-1,SW2200051,S1197,Finasteride}

> <pdid>
PD000208

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{7061288}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 29  0  0  1  0            999 V2000
    9.4504    6.4036    0.0000 C   0  0
    9.1445    4.9351    0.0000 C   0  0
   10.2636    3.9363    0.0000 C   0  0
   10.5691    5.4047    0.0000 C   0  0
    7.7193    4.4647    0.0000 N   0  0
    7.4132    2.9954    0.0000 C   0  0
    5.9880    2.5249    0.0000 C   0  0  1  0  0  0
    4.8689    3.5238    0.0000 O   0  0
    5.6819    1.0557    0.0000 C   0  0
    4.2567    0.5852    0.0000 O   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 S   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   14.3698    3.4294    0.0000 O   0  0
   14.3698    1.9294    0.0000 C   0  0
   13.0705    1.1798    0.0000 O   0  0
   15.6698    1.1794    0.0000 C   0  0
   16.9698    1.9294    0.0000 C   0  0
   16.9712    3.4302    0.0000 C   0  0
   15.6726    4.1810    0.0000 O   0  0
   18.2705    4.1798    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 11  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11334

> <plate>
PLATE 005

> <well>
G4

> <supplier_cmpd_name>
Timolol Maleate

> <ctcr_id>
779

> <supplier_cmpd_id>
T0475

> <smiles>
CC(C)(C)NC[C@@H](O)COc1nsnc1N2CCOCC2.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"EINECS 248-034-7","EINECS 2480347","D-Timolol maleate","DTimolol maleate",26839-77-0,26839770,"(R)-(+)-Timolol Maleate","(R)(+)Timolol Maleate",UNII-78U14B243Y,UNII78U14B243Y,"R-enantiomertimolol ma
leate","Renantiomertimolol maleate",78U14B243Y,"(R)-Timolol hydrogen maleate","(R)Timolol hydrogen maleate","(R)-Timolol maleate","(R)Timolol maleate","(+)-Timolol maleate","(+)Timolol maleate","Timol
ol maleate",R-enantiome,Renantiome,1500578,"TIMOLOL MALEATE"}

> <pdid>

> <targets>
{}

> <classes>
{"betaadrenergic blocker"}

> <pubchem_cids>
{5702122}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 F   0  0
   -2.5983   -3.0004    0.0000 F   0  0
   -3.8975   -2.2510    0.0000 F   0  0
   -2.5973    1.5031    0.0000 N   0  3
   -3.8976    0.7553    0.0000 O   0  5
   -2.5951    3.0031    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 10 17  1  0
 17 18  1  0
 17 19  2  0
M  CHG  2  17   1  18  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11335

> <plate>
PLATE 005

> <well>
G5

> <supplier_cmpd_name>
Flutamide

> <ctcr_id>
1718

> <supplier_cmpd_id>
T0489

> <smiles>
CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

> <pd_targets>
{HTT,CYP1A2,HTR4,AADAC,ABCB11,LMNA,ALOX15,CHRM1,AR,CYP3A4,CYP2C9,RORC,ALDH1A1,FTL,CYP2C19,MAPK1,GLA,NFO,CES2,AMPC,PMP22,HTR6,AHR}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Membrane receptor",Transporter,"Other nuclear protein","Transcription factor","Cytochrome P450","Family A G protein-coupled receptor",Hydrolase,"Primary active transpor
ter",Oxidoreductase,"Nuclear receptor",Kinase,"Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","ATP-binding cassette","Nuclear hormone receptor subfamily 3","Cytochrome P450 family
 3","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Protein Kinase","Cytochrome P450 family 1A","Monoamine receptor","ABCB subfamily","Nuclear hormone receptor subfamily 3 group C",
"Cytochrome P450 family 3A","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 1A1","Serotonin receptor","Acetylcholine receptor","
Nuclear hormone receptor subfamily 3 group C member 4","Cytochrome P450 3A4","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C19","CMGC protein kinase M
APK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Cytochrome P450","G protein-coupled receptors","ATP-binding cassette transporter family","Eicosanoid turnover","Nuclear hormone receptors","Kin
ases (EC 2.7.x.x)","Aryl hydrocarbon receptor","CYP1 family","5-Hydroxytryptamine receptors","ABCB subfamily",Lipoxygenases,"Acetylcholine receptors (muscarinic)","Steroid hormone receptors","CYP3 fam
ily","CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","3C. 3-Ketosteroid receptors","Mitogen-activated protein kinases (MAP k
inases)","ERK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Cell Cycle","Signal Transduction","Vesicle-mediated transport","Immune System","Developmental Biology","RNA Polymerase II Transcription","Biologi
cal oxidations","Infectious disease","Metabolism of lipids",Mitotic,"Signaling by GPCR","Membrane Trafficking","Innate Immune System","Nervous system development","Generic Transcription Pathway","Phas
e I - Functionalization of compounds","Leishmania infection","Metabolism of steroids","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","trans-Golgi Network V
esicle Budding","Toll-like Receptor Cascades","Sphingolipid metabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Transcriptional Regulation by MECP2","Cytochrome P450 - arrang
ed by substrate type","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Mitotic Metaphase and Anaphase","Biosynthesis of DPA-derived SPMs","Class A/1 (Rhodopsin-like rece
ptors)","Transcriptional regulation by RUNX2","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX3","Ethanol oxidation","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 5 (
TLR5) Cascade","Glycosphingolipid metabolism","Regulation of MECP2 expression and activity",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids an
d bile salts","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","Amine ligand-binding receptors","RUNX2 regulates bone development","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell 
Migration","MyD88 cascade initiated on plasma membrane","Endogenous sterols","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production
","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Muscarinic acetylcholine receptor
s","RUNX2 regulates osteoblast differentiation","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","MAP kinase activation","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear 
events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AHR,AR}

> <broad_moa>
{"androgen receptor antagonist"}

> <synonyms>
{flutamide,13311-84-7,13311847,Eulexin,Niftolide,Niftholide,2-Methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide,2MethylN(4nitro3(trifluoromethyl)phenyl)propanamide,NFBA,niftolid,Drogenil,"Sch 13
521",Flutamin,"Cebatrol, veterinary",Flutamida,Flutamidum,Sch-13521,Sch13521,4'-Nitro-3'-trifluoromethylisobutyra,4'Nitro3'trifluoromethylisobutyra,T0489,SAM002264612,1500995,Prestw-180,Flutamide,CPD0
00058187,FLUTAMIDE}

> <pdid>
PD001517

> <targets>
{}

> <classes>
{antiandrogen}

> <pubchem_cids>
{3397}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 33  0  0  1  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.1996   -1.4928    0.0000 O   0  0
    2.6003   -1.4977    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  1  0  0  0
   -2.5202   -4.6211    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0  1  0  0  0
    1.0957   -4.0166    0.0000 C   0  0
    0.4768   -5.3829    0.0000 C   0  0
   -1.0139   -5.2166    0.0000 C   0  0  1  0  0  0
   -2.3873   -5.9129    0.0000 C   0  0
   -2.2072   -7.4020    0.0000 C   0  0
   -0.7352   -7.6909    0.0000 C   0  0
   -0.1038   -9.0515    0.0000 O   0  0
   -0.0057   -6.3803    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13  7  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  6
 16 17  1  0
 17 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  6
 21 22  1  0
 23 22  1  1
 23 18  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 23  1  0
 20 29  1  0
 29  5  1  0
 29 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11336

> <plate>
PLATE 005

> <well>
G6

> <supplier_cmpd_name>
Abbolactone

> <ctcr_id>
4920

> <supplier_cmpd_id>
T0476

> <smiles>
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)C13

> <pd_targets>
{NR3C2,PGR,AR,NR3C1,ESR1,ESR2,CYP2C19,ABCB1,SLC47A1,CYP11B2,CYP17A1,SRD5A1,SRD5A2,SRD5A3,SHBG,CACNA1A,CACNA1B,CACNA1C,CACNA1D,CACNA1E,CACNA1F,CACNA1G,CACNA1H,CACNA1I,CACNA1S,CACNA2D1,CACNA2D2,CACNA2D3
,CACNA2D4,CACNB1,CACNB2,CACNB3,CACNB4,CACNG1,CACNG2,CACNG3,CACNG4,CACNG5,CACNG6,CACNG7,CACNG8,MAPT,LMNA}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transporter,"Secreted protein","Ion channel","Nuclear receptor","Cytochrome P450","Primary active transporter","Electrochemical transporter",Oxidoreductase,"Voltage-gate
d ion channel","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 2","ATP-binding cassette","SLC superfamily of solute carriers","Cytochrome P450 family 11","Cytochrome P450 family 17","Vo
ltage-gated calcium channel","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group A","Cytochrome P450 family 2C","ABCB subfamily","SLC47 family of multidrug and t
oxin extrusion transporters","Cytochrome P450 family 11B","Cytochrome P450 family 17A","Nuclear hormone receptor subfamily 3 group C member 2","Nuclear hormone receptor subfamily 3 group C member 3","
Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfami
ly 3 group A member 2","Cytochrome P450 2C19","Cytochrome P450 11B2","Cytochrome P450 17A1","Other cytosolic protein","Other nuclear protein"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Cytochrome P450","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Steroid hormone receptors","CYP2 family: d
rug metabolising subset","ABCB subfamily","SLC47 family of multidrug and toxin extrusion transporters",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","3C. 3-Ketosteroid receptors","3A. Estrogen receptor
s"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Signal Transduction",Metabolism,"Transport of small molecules","Post-translational protein modification","RNA Polymerase II Transcription",
"Intracellular signaling by second messengers","Biological oxidations","Abacavir transport and metabolism","SLC-mediated transmembrane transport","Metabolism of lipids",SUMOylation,"Generic Transcript
ion Pathway","PIP3 activates AKT signaling","Phase I - Functionalization of compounds","Abacavir transmembrane transport","Transport of bile salts and organic acids","metal ions and amine compounds","
Metabolism of steroids","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX2","FOXO-mediated transcription","Transcriptional regulation by RUNX1","Negative regulation of th
e PI3K/AKT network","Cytochrome P450 - arranged by substrate type","Metabolism of steroid hormones","SUMOylation of intracellular receptors","RUNX2 regulates bone development","FOXO-mediated transcrip
tion of oxidative stress","metabolic and neuronal genes","RUNX1 regulates estrogen receptor mediated transcription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Xenobiotics,"Endogenous sterols","A
ndrogen biosynthesis","RUNX2 regulates osteoblast differentiation","CYP2E1 reactions","Neuronal System","Cell Cycle","Transmission across Chemical Synapses",Mitotic,"Neurotransmitter receptors and pos
tsynaptic signal transmission","M Phase","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Post NMDA receptor activation events","Mitotic Anaphase","Activation o
f AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{AR,CACNA1A,CACNA1B,CACNA1C,CACNA1D,CACNA1F,CACNA1G,CACNA1H,CACNA1I,CACNA1S,CACNA2D1,CACNA2D2,CACNA2D3,CACNB1,CACNB2,CACNB3,CACNB4,CACNG1,CYP11B2,NR3C1,NR3C2,PGR,SHBG}

> <broad_moa>
{"mineralocorticoid receptor antagonist"}

> <synonyms>
{AB00052091_02,AB0005209102,AB00052091-02,"AB00052091 02",Spectrum_000956,Spectrum000956,Spectrum-000956,"Spectrum 000956",Spectrum2_001316,Spectrum2001316,Spectrum2-001316,"Spectrum2 001316",Spectrum
3_000899,Spectrum3000899,Spectrum3-000899,"Spectrum3 000899",Spectrum4_000994,Spectrum4000994,Spectrum4-000994,"Spectrum4 000994",Spectrum5_001110,Spectrum5001110,Spectrum5-001110,"Spectrum5 001110",K
BioGR_001427,KBioGR001427,KBioGR-001427,"KBioGR 001427",KBioSS_001436,KBioSS001436,KBioSS-001436,"KBioSS 001436",SPECTRUM1500539,SPBio_001411,SPBio001411,SPBio-001411,"SPBio 001411",cid_6710654,cid671
0654,cid-6710654,"cid 6710654",KBio2_001436,KBio2001436,KBio2-001436,"KBio2 001436",KBio2_004004,KBio2004004,KBio2-004004,"KBio2 004004",KBio2_006572,KBio2006572,KBio2-006572,"KBio2 006572",KBio3_0018
18,KBio3001818,KBio3-001818,"KBio3 001818",BDBM200299,HMS1921A03,T0476,1500539,Abbolactone,SPIRONOLACTONE}

> <pdid>
PD001755

> <targets>
{}

> <classes>
{diuretic}

> <pubchem_cids>
{6710654}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    4.0497   -4.4250    0.0000 C   0  0
    2.5497   -4.4224    0.0000 C   0  0
    1.7974   -5.7210    0.0000 N   0  0
    0.2974   -5.7184    0.0000 O   0  0
    2.5451   -7.0223    0.0000 C   0  0
    4.0451   -7.0250    0.0000 N   0  0
    1.7932   -8.3203    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  2  0
  2  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16  8  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11337

> <plate>
PLATE 005

> <well>
G7

> <supplier_cmpd_name>
Zileuton

> <ctcr_id>
6917

> <supplier_cmpd_id>
T0477

> <smiles>
CC(N(O)C(N)=O)c1sc2ccccc2c1

> <pd_targets>
{PTGES,ALOX5,ALOX5AP,ALOX15,LTA4H,LMNA,ALOX12,LTB4R,EPHX2,GAA,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Other nuclear protein","Membrane receptor",Isomerase,Oxidoreductase,Protease,"Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450","Metallo protease","Sm
all molecule receptor (family A GPCR)","Serine protease","Cytochrome P450 family 1","Metallo protease MAE clan","Lipid-like ligand receptor (family A GPCR)","Serine protease SC clan","Cytochrome P450 
family 1A","Metallo protease M1 family","Leukotriene receptor","Serine protease S33 family","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Peptidases and proteinases","G protein-coupled receptors",Hydrolases,"3.2.1.- Glycosidases","Cytochrome P450","Prostaglandin synthases",Lipoxygenases,"MA: Met
allo (M) Peptidases","Leukotriene receptors","CYP1 family","M1: Aminopeptidase N"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Signal Transduction",Disease,"Metabolism of lipids",Mitotic,"Signaling by GPCR","Diseases of metabolism","Biological oxidations","Fatty acid metabolism","Biosynthesis of spec
ialized proresolving mediators (SPMs)","M Phase","GPCR ligand binding","Diseases of carbohydrate metabolism","Phase I - Functionalization of compounds","Arachidonic acid metabolism","Biosynthesis of D
PA-derived SPMs","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Glycogen storage diseases","Cytochrome P450 - arranged by substrate type","
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of DPAn-3 SPMs","Synthesis of 5-eicosatetraenoic acids","Biosynthesis of aspirin-triggered D-series resolvins","Mitotic Anaphase",
"Eicosanoid ligand-binding receptors","Biosynthesis of maresins","Glycogen storage disease type II (GAA)",Xenobiotics,"Biosynthesis of DPAn-3-derived 13-series resolvins","Biosynthesis of DPAn-3-deriv
ed protectins and resolvins","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived maresins","Leukotriene receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","In
itiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ALOX5}

> <broad_moa>
{"leukotriene synthesis inhibitor","lipoxygenase inhibitor"}

> <synonyms>
{CCG-213571,CCG213571,CS-1563,CS1563,ZILEUTON,111406-87-2,111406872,Zyflo,Leutrol,1-(1-(Benzo(b)thiophen-2-yl)ethyl)-1-hydroxyurea,1(1(Benzo(b)thiophen2yl)ethyl)1hydroxyurea,Zileutonum,"Abbott 64077",
"Zileutonum (INN-Latin)","Zileutonum (INNLatin)",1-(1-(1-benzothiophen-2-yl)ethyl)-1-hydroxyurea,1(1(1benzothiophen2yl)ethyl)1hydroxyurea,A-64077,A64077,N-(1-Benzo(b)thien-2-ylethyl)-N-hydr,N(1Benzo(b
)thien2ylethyl)Nhydr,T0477,SAM001246738,1505906,Prestw-1365,Zileuton,CPD000466377}

> <pdid>
PD000269

> <targets>
{Ferroptosis,Lipoxygenase}

> <classes>
{5-lipoxygenase inhibitor,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{60490}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
   -2.1929   -3.7413    0.0000 C   0  0
   -0.7292   -4.0692    0.0000 C   0  0
   -0.2818   -5.5010    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  4  2  1  6
  4  5  1  0
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  1
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 11  1  0
 17 18  1  6
 17 19  1  0
 19  8  1  0
 19 20  1  6
 20 21  1  0
 21 22  1  0
 22  4  1  0
 22  7  1  0
 22 23  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11338

> <plate>
PLATE 005

> <well>
G8

> <supplier_cmpd_name>
Progesterone

> <ctcr_id>
6536

> <supplier_cmpd_id>
T0478

> <smiles>
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

> <pd_targets>
{RORC,PGR,CATSPER1,NR3C1,SRD5A1,SRD5A2,SOAT1,FABP1,FABP2,CATSPER4,AR,TSHR,HIF1A,SIGMAR1,FTL,ALDH1A1,CYP3A4,CYP2C9,NR3C2,CATSPER3,LMNA,THPO,CATSPER2,TRPC5,ABCB1,MAPT,MAPK1,CHRM1,NPSR1,PMP22,KMT2A,MEN1,
KDM4E,ERG2,SHBG,SERPINA6,ESR1,ESR2,ABCB11,SLC22A2,SLC22A3,P2RX3,GPBAR1,SLC22A1,CYP17A1,OPRK1,ORM1}

> <pathway_gtopdb>
{"Transcription factor","Ion channel",Enzyme,"Auxiliary transport protein","Membrane receptor","Unclassified protein","Other nuclear protein",Transporter,"Other cytosolic protein","Epigenetic regulato
r","Secreted protein","Nuclear receptor","Voltage-gated ion channel",Oxidoreductase,Transferase,"Fatty acid binding protein family","Family A G protein-coupled receptor","Cytochrome P450","Primary act
ive transporter",Kinase,Reader,Eraser,Isomerase,"Electrochemical transporter","Ligand-gated ion channel","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3","CatSper and Two-
Pore channels","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 2","Transient receptor potential channel","ATP-binding cassette","Protein Kinase","Small molecule r
eceptor (family A GPCR)",Bromodomain,"Lysine demethylase","SLC superfamily of solute carriers","P2X receptor","Cytochrome P450 family 17","Nuclear hormone receptor subfamily 1 group F","Nuclear hormon
e receptor subfamily 3 group C","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2C","ABCB subfamily","CMGC protein kinase group","Monoamine receptor","Short peptide recepto
r (family A GPCR)","Jumonji domain-containing","Nuclear hormone receptor subfamily 3 group A","SLC22 family of organic cation and anion transporters","Lipid-like ligand receptor (family A GPCR)","Cyto
chrome P450 family 17A","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear
 hormone receptor subfamily 3 group C member 4","Cytochrome P450 3A4","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 3 group C member 2","CMGC protein kinase MAPK family","Acetylcholine rec
eptor","Neuropeptide receptor","Nuclear hormone receptor subfamily 3 group A member 1","Steroid-like ligand receptor","Cytochrome P450 17A1","Opioid receptor","Nuclear hormone receptor subfamily 3 gro
up A member 2","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,"Ion channels","Other protein targets",Enzymes,Transporters,"Nuclear hormone receptors","Voltage-gated ion channels","Fatty acid-binding proteins","G protein-coupled receptors","Sigma recep
tors","Cytochrome P450","ATP-binding cassette transporter family","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","SLC superfamily of solute carriers","Ligand-gated ion channels","1F. Retinoic ac
id-related orphans","CatSper and Two-Pore channels","Steroid hormone receptors","Glycoprotein hormone receptors","CYP3 family","CYP2 family: drug metabolising subset","Transient Receptor Potential cha
nnels","ABCB subfamily","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors (muscarinic)","Neuropeptide S receptor","1.14.11.- Histone demethylases","SLC22 family of organic catio
n and anion transporters","P2X receptors","Bile acid receptor",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Opioid receptors","3C. 3-Ketosteroid receptors","Mitogen-activated protein kinases (MAP kin
ases)","Organic cation transporters (OCT)","3A. Estrogen receptors","ERK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Reproduction,"Metabolism of proteins","Transport of small molecules",Metabolism,Disease,"Cellular responses to external stimuli","Vesicle-mediated transport","Cell C
ycle",Hemostasis,"Developmental Biology","Neuronal System","Immune System","Signal Transduction","RNA Polymerase II Transcription",Fertilization,"Post-translational protein modification","Plasma lipop
rotein assembly",remodeling,"and clearance","Metabolism of lipids","Infectious disease","Cellular responses to stress","Membrane Trafficking","Biological oxidations",Mitotic,"Platelet activation","sig
naling and aggregation","Nervous system development","Abacavir transport and metabolism","Transmission across Chemical Synapses","Innate Immune System","Signaling by GPCR","SLC-mediated transmembrane 
transport","Platelet homeostasis","Intracellular signaling by second messengers","Generic Transcription Pathway","Sperm Motility And Taxes",SUMOylation,"Plasma lipoprotein clearance","Regulation of li
pid metabolism by PPARalpha","Triglyceride metabolism","Leishmania infection","Cellular response to hypoxia","SARS-CoV Infections","trans-Golgi Network Vesicle Budding","Phase I - Functionalization of
 compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Platelet Aggregation (Plug Formation)","Axon guidance","Abacavir transmembrane transport","Neurotransmitter receptors
 and postsynaptic signal transmission","Toll-like Receptor Cascades","GPCR ligand binding","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Metabolism of steroids","Transport of bile 
salts and organic acids","metal ions and amine compounds","Platelet calcium homeostasis","Response to elevated platelet cytosolic Ca2+","PIP3 activates AKT signaling","Transcriptional regulation by RU
NX3","SUMO E3 ligases SUMOylate target proteins","FOXO-mediated transcription","LDL clearance","PPARA activates gene expression","Triglyceride catabolism","Transcriptional regulation by RUNX2","Leishm
ania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Potential therapeutics for SARS","Golgi Associated Vesicle Biogenesis","Ethanol oxidation
","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Netrin-1 signaling","Activation of NMDA receptors and postsynaptic events","Toll L
ike Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin-like receptors)","Metabolism of steroid hormones","Bile acid and bile salt metabolism","Organic cation/anion/zwitterion transport","Elevation of cy
tosolic Ca2+ levels","Transcriptional regulation by RUNX1","Transcriptional Regulation by MECP2","Platelet degranulation","Negative regulation of the PI3K/AKT network","RUNX3 Regulates Immune Response
 and Cell Migration","SUMOylation of intracellular receptors","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","RUNX2 regulates bone development","Anti-inflammatory res
ponse favouring Leishmania parasite infection","Biosynthesis of maresins",Xenobiotics,"Mitotic Anaphase","Role of second messengers in netrin-1 signaling","Post NMDA receptor activation events","MyD88
 cascade initiated on plasma membrane","Amine ligand-binding receptors","Glucocorticoid biosynthesis","Synthesis of bile acids and bile salts","Organic cation transport","RUNX1 regulates estrogen rece
ptor mediated transcription","Androgen biosynthesis","MECP2 regulates neuronal receptors and channels",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","RUNX2 regulates osteoblast differentiation","AD
ORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","MAP kinase a
ctivation","Muscarinic acetylcholine receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events m
ediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CATSPER1,CATSPER2,CATSPER3,CATSPER4,CYP17A1,ESR1,NR3C2,OPRK1,PGR,TRPC5}

> <broad_moa>
{"progesterone receptor agonist"}

> <synonyms>
{progesterone,57-83-0,57830,"Pregn-4-ene-3,20-dione","Pregn4ene3,20dione",Agolutin,Luteohormone,Crinone,"4-Pregnene-3,20-dione","4Pregnene3,20dione","Corpus luteum hormone",Syngesterone,Utrogestan,Lut
eol,Glanducorpin,Pregnenedione,Progesterol,Syngestrets,Corlutin,Cyclogest,Gesterol,Gestone,SAM001247039,Prestw-477,CPD000058345,Progesterone}

> <pdid>
PD001781

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5994}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.2521   -4.3116    0.0000 O   0  0
   -6.7433   -4.1499    0.0000 C   0  0
   -7.0504   -2.6817    0.0000 C   0  0
   -5.7489   -1.9360    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 12  1  0
 10 17  1  0
 17  7  2  0
 17 18  1  0
 18  2  1  0
 18 19  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11339

> <plate>
PLATE 005

> <well>
G9

> <supplier_cmpd_name>
Doxofylline

> <ctcr_id>
3414

> <supplier_cmpd_id>
T0480

> <smiles>
CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O

> <pd_targets>
{KMT2A,PDE2A,ADORA2A,ADRB2}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor",Reader,"Family A G protein-coupled receptor",Bromodomain,"Small molecule receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Monoamine rec
eptor","Adenosine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","G protein-coupled receptors","2.1.1.43 Histone methyltransferases (HMTs)","Adenosine receptors",Adrenoceptors}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Infectious disease","Generic Transcription Pathway","Leishmania infection","Transcriptional regulation by RUNX1","Leishman
ia parasite growth and survival","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B m
ediated anti-inflammatory cytokines production"}

> <broad_targets>
{ADORA1,PDE4A,PDE4B,PDE4C,PDE4D}

> <broad_moa>
{"adenosine receptor antagonist"}

> <synonyms>
{69975-86-6,69975866,Doxophylline,Ansimar,Maxivent,Ventax,UNII-MPM23GMO7Z,UNIIMPM23GMO7Z,"ABC 12/3","7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione","7(1,3dioxolan2ylmethyl)1,3dimethylpurine
2,6dione","7-(1,3-Dioxolan-2-ylmethyl)theophylline","7(1,3Dioxolan2ylmethyl)theophylline",MPM23GMO7Z,Dioxyfilline,Theophylline,7-(1,7(1,3-dioxolan-,3dioxolan,T0480,S4164,Prestw-1136,Doxofylline}

> <pdid>
PD001310

> <targets>
{Adenosine Receptor,Phosphodiesterase (PDE)}

> <classes>
{GPCR/G Protein,Metabolic Enzyme/Protease}

> <pubchem_cids>
{50942}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    6.5002   -8.2537    0.0000 C   0  0
    5.2012   -7.5037    0.0000 C   0  0
    5.2002   -6.0029    0.0000 C   0  0
    3.9005   -5.2525    0.0000 N   0  0
    3.8995   -3.7516    0.0000 C   0  0
    5.1983   -3.0012    0.0000 O   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8982   -2.2498    0.0000 O   0  0
    3.8976   -0.7500    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11340

> <plate>
PLATE 005

> <well>
G10

> <supplier_cmpd_name>
Chlorpropamide

> <ctcr_id>
5029

> <supplier_cmpd_id>
T0490

> <smiles>
CCCNC(=O)N[S](=O)(=O)c1ccc(Cl)cc1

> <pd_targets>
{TSHR,THRB,LMNA,NFKB1,NPSR1,CYP3A4,SLC22A6,ABCC8,KCNJ11}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor","Other nuclear protein","Other cytosolic protein",Enzyme,Transporter,"Ion channel","Family A G protein-coupled receptor","Nuclear receptor","Cytochrome P450
","Electrochemical transporter","Primary active transporter","Voltage-gated ion channel","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","SLC super
family of solute carriers","ATP-binding cassette","Potassium channels","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group A","Short peptide receptor (family A GPCR)","Cytochrome P450 
family 3A","SLC22 family of organic cation and anion transporters","ABCC subfamily","Inwardly rectifying potassium channel","Nuclear hormone receptor subfamily 1 group A member 2","Neuropeptide recept
or","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Nuclear hormone receptors","Cytochrome P450","SLC superfamily of solute carriers","ATP-binding cassette transporter family","Glycoprotein
 hormone receptors","1A. Thyroid hormone receptors","Neuropeptide S receptor","CYP3 family","SLC22 family of organic cation and anion transporters","ABCC subfamily","Organic anion transporters (OATs)"
}

> <pathway_reactome>
{Disease,"Metabolism of proteins","Cell Cycle","Immune System",Metabolism,"Transport of small molecules","Infectious disease","Post-translational protein modification",Mitotic,"Cytokine Signaling in I
mmune system","Metabolism of lipids","SLC-mediated transmembrane transport","Disorders of transmembrane transporters","Leishmania infection",SUMOylation,"M Phase","Signaling by Interleukins","Biosynth
esis of specialized proresolving mediators (SPMs)","Transport of bile salts and organic acids","metal ions and amine compounds","ABC transporter disorders","Leishmania parasite growth and survival","S
UMO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaphase","Interleukin-1 family signaling","Biosynthesis of DHA-derived SPMs","Organic cation/anion/zwitterion transport","Defective AB
CC8 can cause hypo- and hyper-glycemias","Anti-inflammatory response favouring Leishmania parasite infection","SUMOylation of intracellular receptors","Mitotic Anaphase","Interleukin-1 signaling","Bio
synthesis of maresins","Organic anion transport","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis
 of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ABCC8,KCNJ10}

> <broad_moa>
{"ATP channel blocker"}

> <synonyms>
{94-20-2,94202,Chloropropamide,Diabinese,Chlorpropamid,Diabenese,Glucamide,Meldian,Chlorodiabina,Chloronase,Diabeneza,Diabetoral,Adiaben,Catanil,Diabaril,Dynalase,Insulase,Melitase,Diabechlor,Diabenal
,Mellinese,Millinese,Asucrol,Glise,T0490,SAM002554890,1500185,Prestw-323,Chlorpropamide,CPD000058364,CHLORPROPAMIDE}

> <pdid>
PD002423

> <targets>
{Na+/K+ ATPase}

> <classes>
{antidiabetic,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{2727}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  9  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 O   0  0
    9.0992    0.7496    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11341

> <plate>
PLATE 005

> <well>
G11

> <supplier_cmpd_name>
Dimethyl fumarate

> <ctcr_id>
2157

> <supplier_cmpd_id>
T0492

> <smiles>
COC(=O)C=CC(=O)OC

> <pd_targets>
{KEAP1,NFE2L2,NLRP3}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{"Other protein targets",Receptors,"Kelch-like proteins","Catalytic receptors","Pattern recognition receptors","NOD-like receptor family"}

> <pathway_reactome>
{"Immune System",Disease,"Adaptive Immune System","Infectious disease","Class I MHC mediated antigen processing & presentation","Leishmania infection","Antigen processing: Ubiquitination & Proteasome 
degradation","Cell recruitment (pro-inflammatory response)","Purinergic signaling in leishmaniasis infection"}

> <broad_targets>
{KEAP1}

> <broad_moa>
{"nuclear factor erythroid derived","like (NRF2) activator"}

> <synonyms>
{"dimethyl but-2-enedioate","dimethyl but2enedioate","2-Butenedioic acid, dimethyl ester","2Butenedioic acid, dimethyl ester",23055-10-9,23055109,"2-Butenedioic acid (2E)-, 1,4-dimethyl ester","2Buten
edioic acid (2E), 1,4dimethyl ester","1,4-dimethyl but-2-enedioate","1,4dimethyl but2enedioate",bis(methoxycarbonyl)ethene,ACMC-209n3t,ACMC209n3t,ACMC-209n3u,ACMC209n3u,CHEMBL3181998,HMS3656G20,HMS386
7L13,23057-98-,2305798,T0492,S2586,"Dimethyl fumarate","Dimethyl Fumarate"}

> <pdid>
PD000183

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{12215}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  1  0            999 V2000
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    1.2948   -3.7516    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
  1 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11342

> <plate>
PLATE 005

> <well>
H2

> <supplier_cmpd_name>
Tyrosine

> <ctcr_id>
10983

> <supplier_cmpd_id>
T0493

> <smiles>
C(=O)([C@@H](N)Cc1ccc(O)cc1)O

> <pd_targets>
{TTL,SLC7A5,TH,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,Transporter,Ligase,"Electrochemical transporter",Oxidoreductase,"SLC superfamily of solute carriers","SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)","SLC07 Cationic am
ino acid transporter/glycoprotein-associated family","Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Transporters,Enzymes,"SLC superfamily of solute carriers","Amino acid hydroxylases","SLC3 and SLC7 families of heteromeric amino acid transporters (HATs)","SLC7 family"}

> <pathway_reactome>
{"Metabolism of proteins","Transport of small molecules",Metabolism,"Post-translational protein modification","SLC-mediated transmembrane transport","Metabolism of amino acids and derivatives","Carbox
yterminal post-translational modifications of tubulin","Transport of inorganic cations/anions and amino acids/oligopeptides","Metabolism of amine-derived hormones","Amino acid transport across the pla
sma membrane","Catecholamine biosynthesis"}

> <broad_targets>
{TAT,TH,YARS,YARS2}

> <broad_moa>
{}

> <synonyms>
{L-tyrosine,Ltyrosine,tyrosine,60-18-4,60184,(S)-Tyrosine,(S)Tyrosine,p-Tyrosine,pTyrosine,L-p-Tyrosine,LpTyrosine,H-Tyr-OH,HTyrOH,"(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid","(2S)2amino3(4hydrox
yphenyl)propanoic acid",4-Hydroxy-L-phenylalanine,4HydroxyLphenylalanine,"Tyrosinum (Latin)","Tyrosine (VAN)","Tirosina (Spanish)",L-(-)-Tyrosine,L()Tyrosine,3-(4-Hydroxyphenyl)-L-al,3(4Hydroxyphenyl)
Lal,T0493,Tyrosine}

> <pdid>
PD007194

> <targets>
{"Amino Acids and Derivatives"}

> <classes>
{Others}

> <pubchem_cids>
{6057}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    3.7135    2.7169    0.0000 Cl  0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 N   0  0
   -0.4623    2.7009    0.0000 C   0  0
   -1.9623    2.7008    0.0000 C   0  0
   -2.4258    1.2743    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 S   0  0
   -2.8444    3.9150    0.0000 C   0  0
   -2.3400    5.3223    0.0000 C   0  0
   -3.3105    6.4661    0.0000 C   0  0
   -4.7863    6.1975    0.0000 C   0  0
   -5.2915    4.7851    0.0000 C   0  0
   -4.3210    3.6414    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  4  1  0
  8  9  1  0
  9  2  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11343

> <plate>
PLATE 005

> <well>
H3

> <supplier_cmpd_name>
Tetramisole hydrochloride

> <ctcr_id>
10984

> <supplier_cmpd_id>
T0494

> <smiles>
Cl.C1CN2CC(N=C2S1)c1ccccc1

> <pd_targets>
{ALPL,BLM,FTL,ALPI,CHRNA3,ALPG,UNC-38,UNC-63,LEV-1,UNC-29,LMNA,AMPC,PMP22,NFO,ALDH1A1,NS1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Phosphatase,"Ligand-gated ion channel","Nicotinic acetylcholine receptor","Nicotinic acetylcholine receptor alpha subunit","Other nuclear protein",Hydrolas
e,Oxidoreductase}

> <pathway_chembl>
{"Ion channels","Ligand-gated ion channels","Nicotinic acetylcholine receptors"}

> <pathway_reactome>
{"Metabolism of proteins","DNA Repair","Vesicle-mediated transport",Metabolism,"Neuronal System","Post-translational protein modification","DNA Double-Strand Break Repair","Membrane Trafficking","Meta
bolism of lipids","Transmission across Chemical Synapses","Post-translational modification: synthesis of GPI-anchored proteins","Homology Directed Repair","trans-Golgi Network Vesicle Budding","Phosph
olipid metabolism","Neurotransmitter receptors and postsynaptic signal transmission","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Golgi Associated Vesicle Biogenesis"
,"Glycerophospholipid biosynthesis","Acetylcholine binding and downstream events","HDR through Homologous Recombination (HRR)","Synthesis of PA","Postsynaptic nicotinic acetylcholine receptors","Homol
ogous DNA Pairing and Strand Exchange","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Presynaptic phase of homologous DNA pairing and strand exchange","Cell Cycle","Develop
mental Biology",Mitotic,"Nervous system development","Biological oxidations","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Phase I - Functionalization of compounds","Mito
tic Metaphase and Anaphase","Ethanol oxidation","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ALPPL2,CHRNA3}

> <broad_moa>
{immunostimulant}

> <synonyms>
{"Ergamisol hydrochloride","Tetramisol hydrochloride",Prestwick_854,Prestwick854,Prestwick-854,"Prestwick 854","Tetramisole hydrochloride",5086-74-8,5086748,"5086 74 8",Anthelvet,"Tetramisole HCl",Cit
arin,Concurat,"Tetramisole (hydrochloride)",Ascarotrat,Nilverom,Ripercol,Nilverm,"Pig Worme",T0944,T0494,"Levamisole hydrochloride"}

> <pdid>
PD009109

> <targets>
{SDH,Antibiotic,Parasite,Phosphatase}

> <classes>
{Metabolism,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{68628}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 19  0  0  0  0            999 V2000
   24.5998   -0.3754    0.0000 Br  0  5
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 N   0  3
   22.0991    0.7496    0.0000 C   0  0
   20.7998   -1.5000    0.0000 C   0  0
   22.0988   -0.7502    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
M  CHG  2   1  -1  18   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11344

> <plate>
PLATE 005

> <well>
H4

> <supplier_cmpd_name>
Lauroseptol

> <ctcr_id>
2455

> <supplier_cmpd_id>
T0497

> <smiles>
[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C

> <pd_targets>
{DNM1}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Vesicle-mediated transport","Membrane Trafficking","Gap junction trafficking and regulation","Gap junction trafficking","Gap junction degradation","Formation of annular gap junctions"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"Cetrimonium bromide",57-09-0,57090,"Hexadecyltrimethylammonium bromide","Cetyltrimethylammonium bromide",CTAB,Centimide,CETAB,Bromat,Ctmab,"Cee dee","Hexadecyl trimethyl ammonium bromide","Trimethyl
cetylammonium bromide","Cetyl trimethyl",T0497,1503200,Lauroseptol,"CETRIMONIUM BROMIDE"}

> <pdid>
PD007646

> <targets>
{}

> <classes>
{antiinfectant}

> <pubchem_cids>
{5974}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -3.9051   -5.2503    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11345

> <plate>
PLATE 005

> <well>
H5

> <supplier_cmpd_name>
Sasapyrine

> <ctcr_id>
3963

> <supplier_cmpd_id>
T0498

> <smiles>
OC(=O)c1ccccc1OC(=O)c2ccccc2O

> <pd_targets>
{ALDH1A1,HPGD,KDM4E,PTGS2,PTGS1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Oxidoreductase,Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Chromatin modifying enzymes","Prostaglandin synthases","1.14.11.- Histone demethylases",Cyclooxygenase}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Metabolism of lipids","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism","Ethanol oxida
tion","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandin
s (PG) and Thromboxanes (TX)"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"NFkB pathway inhibitor"}

> <synonyms>
{sasapyrine,552-94-3,552943,"Salicylsalicylic acid","Disalicylic acid",Disalcid,"2-Carboxyphenyl salicylate","2Carboxyphenyl salicylate",Sasapyrinum,Saloxium,"Salicyloylsalicylic acid",Diacesal,Diplos
al,Sasapirin,Sasapyrin,Disalyl,Nobacid,Salical,Salina,Salysal,o-Salicy,oSalicy,T0498,200331,Sasapyrine,SALSALATE}

> <pdid>
PD002223

> <targets>
{}

> <classes>
{analgesic}

> <pubchem_cids>
{5161}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -3.8976    0.7553    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8916    3.7585    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -2.5847    6.0040    0.0000 C   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  3  1  0
  6 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11346

> <plate>
PLATE 005

> <well>
H6

> <supplier_cmpd_name>
Oxybenzone

> <ctcr_id>
2366

> <supplier_cmpd_id>
T0499

> <smiles>
COc1ccc(c(O)c1)C(=O)c2ccccc2

> <pd_targets>
{ALDH1A1,HPGD,LMNA,CYP2D6,CYP1A2,LIPE,HTT,CYP2C19,PGR,AR}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Unclassified protein","Transcription factor",Oxidoreductase,"Cytochrome P450",Hydrolase,"Nuclear receptor","Cytochrome P450 family 2","Cytochrome P450 family 1","Nucle
ar hormone receptor subfamily 3","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 2D6","Cytochrome P4
50 1A1","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Cytochrome P450",Hydrolases,"Nuclear hormone receptors","Prostaglandin synthases","CYP2 family: drug metabolising subset","CYP1 family","Steroid hormone recep
tors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Gene expression (Transcription)","Metabolism of proteins","Biological oxidations","Metabolism of lipids",Mitotic,"RNA Polymerase II Transcription","Post-translational protein
 modification","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Triglyceride metabolism","Generic Transcription Pathway",SUMOylation,"E
thanol oxidation","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Triglyceride catabolism","Transcriptional Regulation by MECP2","SU
MO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX2","Biosynthesis of D-series resolvins","Mitotic Anaphase",Xenobiotics,"Regulation of MECP2 expression and activity","SUMOyl
ation of intracellular receptors","RUNX2 regulates bone development","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","RUNX2 reg
ulates osteoblast differentiation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{LIPE}

> <broad_moa>
{"lipase inhibitor"}

> <synonyms>
{oxybenzone,131-57-7,131577,2-HYDROXY-4-METHOXYBENZOPHENONE,2HYDROXY4METHOXYBENZOPHENONE,Benzophenone-3,Benzophenone3,(2-hydroxy-4-methoxyphenyl)(phenyl)methanone,(2hydroxy4methoxyphenyl)(phenyl)metha
none,4-Methoxy-2-hydroxybenzophenone,4Methoxy2hydroxybenzophenone,Oxybenzon,2-Benzoyl-5-methoxyphenol,2Benzoyl5methoxyphenol,"Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-","Methanone, (2hydroxy4metho
xyphenyl)phenyl",Anuvex,Benzophe,T0499,1500451,Prestw-887,Oxybenzone,OXYBENZONE}

> <pdid>
PD001821

> <targets>
{Apoptosis,Autophagy,RAR/RXR}

> <classes>
{ultraviolet screen,Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{4632}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 I   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11347

> <plate>
PLATE 005

> <well>
H7

> <supplier_cmpd_name>
Capitrol

> <ctcr_id>
3434

> <supplier_cmpd_id>
T0500

> <smiles>
Oc1c(I)cc(Cl)c2cccnc12

> <pd_targets>
{CYP1A2,LMNA,HIF1A,RORC,ALOX15,COMT,HDAC8,HDAC7,MAPT,KMT2A,MEN1,HPGD,TP53,OPRK1,BOTA,HDAC2,HDAC5,CA15,KDM4E,HTT,HSP90AA1,APE1,HDAC9,ALDH1A1,CYP3A4,APP,TGR,FFP,ALOX12,MAPK1,HDAC4,ALOX5,ALOX15B,ALD,SKA,
NR1I2,STAT6,MAPK14,ACE,AMPC,HSD17B10,MAPK3,ERBB2,PAX8,ADORA3,EGFR,LCK,FYN}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Membrane receptor","Cytochrome P450",Protease,"Nuclear receptor",Oxidore
ductase,Transferase,Eraser,Reader,"Family A G protein-coupled receptor",Lyase,Kinase,"Cytochrome P450 family 1","Cysteine protease","Nuclear hormone receptor subfamily 1","Histone deacetylase",Bromodo
main,"Peptide receptor (family A GPCR)","Metallo protease","Lysine demethylase","Cytochrome P450 family 3","Protein Kinase","Cytochrome P450 family 1A","Cysteine protease CA clan","Nuclear hormone rec
eptor subfamily 1 group F","HDAC class I","HDAC class IIa","Short peptide receptor (family A GPCR)","Metallo protease MAE clan","Jumonji domain-containing","Metallo protease MH clan","Cytochrome P450 
family 3A","CMGC protein kinase group","Cytochrome P450 1A1","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","Opioid receptor","Metallo protease M27 family","Met
allo protease M18 family","Cytochrome P450 3A4","CMGC protein kinase MAPK family","CMGC protein kinase ERK1","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group 
I member 2",Hydrolase,"Small molecule receptor (family A GPCR)","TK protein kinase group","Nucleotide-like receptor (family A GPCR)","Metallo protease M2 family","Tyrosine protein kinase EGFR family",
"Adenosine receptor","Tyrosine protein kinase Src family","CMGC protein kinase p38 subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Cytochrome P450","Nuclear hormone receptors","Eicosanoid turnover","Catecholamine turnover","Chromatin modifying enzymes","G protein-coupled receptors","Hea
t shock proteins","Kinases (EC 2.7.x.x)","CYP1 family","1F. Retinoic acid-related orphans",Lipoxygenases,"3.5.1.- Histone deacetylases (HDACs)","Prostaglandin synthases","Opioid receptors","1.14.11.- 
Histone demethylases","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily","1I. Vitamin D receptor-like receptors","Transcrip
tion factors","Peptidases and proteinases","Catalytic receptors","STAT transcription factors","MA: Metallo (M) Peptidases","Receptor kinases","Adenosine receptors","M2: Angiotensin-converting  (ACE an
d ACE2)","TK: Tyrosine kinase","p38 subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Cellular responses to external stimuli","Gene expression (Transcription)","Neuronal System",Disease,"Immune System","Biological oxidations",Mitotic,"Cellular responses to str
ess","RNA Polymerase II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Cell Cycle Che
ckpoints","Infectious disease","Innate Immune System","Phase I - Functionalization of compounds","M Phase","Cellular response to hypoxia","Generic Transcription Pathway","Biosynthesis of specialized p
roresolving mediators (SPMs)","Neurotransmitter clearance","Signaling by NOTCH1 in Cancer","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Uptake and a
ctions of bacterial toxins","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylati
on of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Dopamine clearance from the synaptic cleft","Signaling by NOTCH1 HD+PEST Domain Mutants 
in Cancer","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by MECP2","Neurotoxicity of 
clostridium toxins","Transcriptional Regulation by TP53","G2/M Transition","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX2",Xenobiotics,"Mitotic Anaphase
","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Enzymatic degradation of dopamine by COMT","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Post NMDA re
ceptor activation events","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","MECP2 regulates neuronal receptors and channels","Toxicity of botulinum toxin type A (botA)","Reg
ulation of TP53 Activity","Regulation of MECP2 expression and activity","Centrosome maturation","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","RUNX2 regulates bone developmen
t","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Separation of Sister Chromatids","Ac
tivation of AMPK downstream of NMDARs","Stabilization of p53","Regulation of TP53 Activity through Acetylation","Loss of proteins required for interphase microtubule organization from the centrosome",
"Biosynthesis of maresin-like SPMs","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Biosynthesis of DPAn-3-derived maresins","MAP kinase activation","RUNX2 regulates chondrocy
te maturation","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP 
kinases","ERK/MAPK targets","ERKs are inactivated","Metabolism of proteins","Post-translational protein modification","Fatty acid metabolism",SUMOylation,"Arachidonic acid metabolism","SUMO E3 ligases
 SUMOylate target proteins","Synthesis of 15-eicosatetraenoic acid derivatives","SUMOylation of intracellular receptors","Biosynthesis of DPAn-3-derived 13-series resolvins","Developmental Biology","S
ignal Transduction","Peptide hormone metabolism","Metabolism of amino acids and derivatives","Nervous system development","Signaling by GPCR","Cytosolic sensors of pathogen-associated DNA","Metabolism
 of Angiotensinogen to Angiotensins","Branched-chain amino acid catabolism","Axon guidance","GPCR ligand binding","GPCR downstream signalling","HIV Infection","STING mediated induction of host immune 
responses","Semaphorin interactions","Class A/1 (Rhodopsin-like receptors)","G alpha (q) signalling events","Host Interactions of HIV factors","STAT6-mediated induction of chemokines","Sema4D in semap
horin signaling","Nucleotide-like (purinergic) receptors","Gastrin-CREB signalling pathway via PKC and MAPK","The role of Nef in HIV-1 replication and disease pathogenesis","Sema4D induced cell migrat
ion and growth-cone collapse","Adenosine P1 receptors","EGFR Transactivation by Gastrin","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Nef and signa
l transduction","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{}

> <broad_moa>
{antiseptic}

> <synonyms>
{130-26-7,130267,5-Chloro-7-iodoquinolin-8-ol,5Chloro7iodoquinolin8ol,Iodochlorhydroxyquin,Chinoform,5-Chloro-8-hydroxy-7-iodoquinoline,5Chloro8hydroxy7iodoquinoline,Chloroiodoquin,Chloroiodoquine,Vio
form,Iodochloroxyquinoline,Cliquinol,5-Chloro-7-iodo-8-quinolinol,5Chloro7iodo8quinolinol,Iodochlorohydroxyquinoline,Ch,T0500,T0876,T0701,T0513,1505114,Prestw-886,Capitrol,Clioquinol,Broxyquinoline,Io
doquinol,CLIOQUINOL}

> <pdid>
PD000622

> <targets>
{Antibiotic,Autophagy,Fungal,Mitophagy}

> <classes>
{antiseptic,antiamebic,Anti-infection,Autophagy}

> <pubchem_cids>
{2788}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11348

> <plate>
PLATE 005

> <well>
H8

> <supplier_cmpd_name>
Leucobasal

> <ctcr_id>
2646

> <supplier_cmpd_id>
T0501

> <smiles>
COc1ccc(O)cc1

> <pd_targets>
{TYR}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"1.-.-.- Oxidoreductases"}

> <pathway_reactome>
{Metabolism,"Metabolism of amino acids and derivatives","Melanin biosynthesis"}

> <broad_targets>
{TYR}

> <broad_moa>
{}

> <synonyms>
{4-Methoxyphenol,4Methoxyphenol,Mequinol,150-76-5,150765,4-Hydroxyanisole,4Hydroxyanisole,p-Hydroxyanisole,pHydroxyanisole,p-Methoxyphenol,pMethoxyphenol,"Phenol, 4-methoxy-","Phenol, 4methoxy","HYDRO
QUINONE MONOMETHYL ETHER",Leucobasal,MEHQ,"Leucodine B",Mechinolum,P-Guaiacol,PGuaiacol,"Hydroquinone methyl ether",Novo-Dermoquinona,NovoDermoquinona,para-meth,parameth,T0501,NSC4960,"NSC 4960",MME}

> <pdid>
PD002118

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{9015}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 16  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  3
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 S   0  5
   -2.5981    1.5000    0.0000 O   0  5
    7.6968   -0.7500    0.0000 C   0  0
    7.6968    0.7500    0.0000 C   0  0
    6.3978    1.5000    0.0000 C   0  0
    5.0987    0.7500    0.0000 N   0  3
    5.0987   -0.7500    0.0000 C   0  0
    6.3978   -1.5000    0.0000 C   0  0
    3.7997   -1.5000    0.0000 S   0  5
    3.7997    1.5000    0.0000 O   0  5
   10.1968    0.0000    0.0000 Zn  0  2
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  1  1  0
  5  7  1  0
  4  8  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14  9  1  0
 13 15  1  0
 12 16  1  0
M  CHG  7   4   1   7  -1   8  -1  12   1  15  -1  16  -1  17   2
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11349

> <plate>
PLATE 005

> <well>
H9

> <supplier_cmpd_name>
Zinc pyrithione

> <ctcr_id>
7274

> <supplier_cmpd_id>
T0502

> <smiles>
C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]

> <pd_targets>
{KCNQ2,LMNA,RORC,ALDH1A1,REP,KCNQ4,HTT,KMT2A,TDP1,MAPK1,TP53,HSD17B10,KCNQ5,HIF1A,HPGD,KCNQ1,TSHR,ALOX12,FFP,ALOX15,LEF,CA13,MAPT,CA12,CA5A,CA6,CA3,CA7,CA5B,CA14,KDM4E,ALD,USP2,CA9,GAPDH,ALDOA,CA4}

> <pathway_gtopdb>
{"Ion channel","Other nuclear protein",Enzyme,"Transcription factor","Unclassified protein","Epigenetic regulator","Membrane receptor","Other cytosolic protein","Voltage-gated ion channel",Protease,"N
uclear receptor",Oxidoreductase,Reader,Hydrolase,Kinase,"Family A G protein-coupled receptor",Transferase,Lyase,Eraser,"Potassium channels","Cysteine protease","Nuclear hormone receptor subfamily 1",B
romodomain,"Protein Kinase","Peptide receptor (family A GPCR)","Metallo protease","Lysine demethylase","Voltage-gated potassium channel","Cysteine protease CA clan","Nuclear hormone receptor subfamily
 1 group F","CMGC protein kinase group","Glycohormone receptor","Metallo protease MAE clan","Jumonji domain-containing","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F mem
ber 3","CMGC protein kinase MAPK family","Metallo protease M34 family","Cysteine protease C19 family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{"Ion channels",Receptors,"Other protein targets",Enzymes,"Voltage-gated ion channels","Nuclear hormone receptors","Anti-infective targets","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Eicosa
noid turnover","G protein-coupled receptors","Carbonic anhydrases","Peptidases and proteinases","Potassium channels","1F. Retinoic acid-related orphans","Viral protein targets","2.1.1.43 Histone methy
ltransferases (HMTs)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Prostaglandin synthases","Glycoprotein hormone receptors",Lipoxygenases,"1.14.11.- Histone demethylases","CA: Cysteine (C) Peptid
ases","Voltage-gated potassium channels","Coronavirus (CoV) proteins","Mitogen-activated protein kinases (MAP kinases)","C19: Ubiquitin-specific protease","ERK subfamily"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","Gene expression (Transcription)",Metabolism,Disease,"Neuronal System","DNA Repair","Immune System","Cellular responses to external stimuli","Muscle contraction",
Hemostasis,"Transport of small molecules","Nervous system development",Mitotic,"RNA Polymerase II Transcription","Biological oxidations","Infectious disease","Potassium Channels","DNA Double-Strand Br
eak Repair","Innate Immune System","Cell Cycle Checkpoints","Metabolism of amino acids and derivatives","Cellular responses to stress","Metabolism of lipids","Cardiac conduction","Reversible hydration
 of carbon dioxide","Transmission across Chemical Synapses","Metabolism of carbohydrates","Platelet activation","signaling and aggregation","O2/CO2 exchange in erythrocytes","Axon guidance","M Phase",
"Generic Transcription Pathway","Phase I - Functionalization of compounds","SARS-CoV Infections","Voltage gated Potassium channels","Nonhomologous End-Joining (NHEJ)","Toll-like Receptor Cascades","G1
/S DNA Damage Checkpoints","Branched-chain amino acid catabolism","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Phase 2 - plateau phase","Leishmania infec
tion","Uptake and actions of bacterial toxins","Neurotransmitter receptors and postsynaptic signal transmission","Glucose metabolism","Response to elevated platelet cytosolic Ca2+","Erythrocytes take 
up carbon dioxide and release oxygen","L1CAM interactions","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3","Ethanol oxidation","SARS-CoV-1 Infection","Transcriptional Regulation
 by MECP2","Transcriptional regulation by RUNX1","Toll Like Receptor 5 (TLR5) Cascade","p53-Dependent G1/S DNA damage checkpoint","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Al
pha","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Activation of NMDA receptors and postsynap
tic events","Transcriptional Regulation by TP53","Regulation of gene expression by Hypoxia-inducible Factor",Gluconeogenesis,"Platelet degranulation","SARS-CoV-2 Infection","Interaction between L1 and
 Ankyrins","Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","SARS-CoV-1 Genome Replication and Transcription","Regulation of MECP2 expression and activity","RUNX1 regulates gene
s involved in megakaryocyte differentiation and platelet function","MyD88 cascade initiated on plasma membrane","p53-Dependent G1 DNA Damage Response","Biosynthesis of D-series resolvins","Anti-inflam
matory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","Post NMDA receptor activation events","Regulation of TP53 Activity","SARS-CoV-2 Genome Replication and Transcrip
tion","Nuclear Envelope (NE) Reassembly","Replication of the SARS-CoV-1 genome","MAP kinase activation","Stabilization of p53","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis o
f DPAn-3-derived maresins","Biosynthesis of DPAn-3-derived protectins and resolvins","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","Replication of the SARS-
CoV-2 genome","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation
","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Zinc pyrithione","Zinc Pyrithione Powder",NCGC00091933-01,NCGC0009193301,NCGC00183121-01,NCGC0018312101,DSSTox_CID_6314,DSSToxCID6314,DSSTox-CID-6314,"DSSTox CID 6314",DSSTox_RID_78100,DSSToxRID7810
0,DSSTox-RID-78100,"DSSTox RID 78100",C10H8N2O2S2Zn,DSSTox_GSID_26314,DSSToxGSID26314,DSSTox-GSID-26314,"DSSTox GSID 26314","1-Hydroxypyridine-2-thione zinc","1Hydroxypyridine2thione zinc","zinc bis(2
-thioxopyridin-1(2H)-olate)","zinc bis(2thioxopyridin1(2H)olate)",CAS-13463-41-7,CAS13463417,Kopthio,S4075,"Zinc Pyrithione"}

> <pdid>

> <targets>
{"Proton Pump"}

> <classes>
{}

> <pubchem_cids>
{26041}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 12  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0  2  0  0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0  1  0  0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0  2  0  0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0  2  0  0  0
    7.7999   -1.5000    0.0000 O   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11350

> <plate>
PLATE 005

> <well>
H10

> <supplier_cmpd_name>
Meglumine

> <ctcr_id>
1730

> <supplier_cmpd_id>
T0503

> <smiles>
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{excipient}

> <synonyms>
{SR-05000001446-1,SR050000014461,BRD-K28595280-001-01-1,BRDK28595280001011,meglumine,N-Methyl-D-glucamine,NMethylDglucamine,6284-40-8,6284408,N-Methylglucamine,NMethylglucamine,Meglumin,1-Deoxy-1-(met
hylamino)-D-glucitol,1Deoxy1(methylamino)Dglucitol,Meglumina,1-Deoxy-1-methylaminosorbitol,1Deoxy1methylaminosorbitol,"D-Glucitol, 1-deoxy-1-(methylamino)-","DGlucitol, 1deoxy1(methylamino)",(2R,3R,4R
,5S)-6-(Methy,5S)6(Methy,T0503,S1974,Prestw-884,Meglumine}

> <pdid>
PD002530

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{8567}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5800    0.0304    0.0000 C   0  0
   -1.2638   -2.2496    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6131    7.4988    0.0000 C   0  0
   -3.9148    8.2443    0.0000 C   0  0
   -5.2112    7.4898    0.0000 C   0  0
   -5.2060    5.9898    0.0000 C   0  0
   -3.9044    5.2443    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9  2  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11351

> <plate>
PLATE 005

> <well>
H11

> <supplier_cmpd_name>
Cyclandelate

> <ctcr_id>
5646

> <supplier_cmpd_id>
T0504

> <smiles>
CC1CC(CC(C)(C)C1)OC(=O)C(O)c2ccccc2

> <pd_targets>
{FTL,LMNA,ABCB11,CACNA2D1}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein",Transporter,"Auxiliary transport protein","Primary active transporter","Calcium channel auxiliary subunit alpha2delta family","ATP-binding cassette","AB
CB subfamily"}

> <pathway_chembl>
{Transporters,"ATP-binding cassette transporter family","ABCB subfamily"}

> <pathway_reactome>
{"Vesicle-mediated transport","Cell Cycle",Metabolism,"Membrane Trafficking",Mitotic,"Metabolism of lipids","trans-Golgi Network Vesicle Budding","M Phase","Metabolism of steroids","Golgi Associated V
esicle Biogenesis","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism","Mitotic Anaphase","Synthesis of bile acids and bile salts","Nuclear Envelope (NE) Reassembly","Synthesis of bi
le acids and bile salts via 7alpha-hydroxycholesterol","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{cyclandelate,456-59-7,456597,Cyclospasmol,Cyclolyt,Cyclomandol,Ciclospasmol,Spasmocyclon,Spasmocyclone,Capilan,Clandilon,Dilatan,Perebral,Saiclate,Sancyclan,Sepyron,Spasmione,Arto-espasmol,Artoespasm
ol,"3,3,5-Trimethylcyclohexyl mandelate","3,3,5Trimethylcyclohexyl mandelate",Ciclandelato,3,5,5-Tr,5Tr,T0504,S4189,Cyclandelate}

> <pdid>
PD000631

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{2893}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    3.2900   -2.6972    0.0000 Cl  0  0
    2.3258   -1.5481    0.0000 C   0  0
    2.8388   -0.1385    0.0000 C   0  0
    1.8747    1.0105    0.0000 C   0  0
    0.3975    0.7500    0.0000 C   0  0
   -0.1156   -0.6595    0.0000 C   0  0
    0.8486   -1.8086    0.0000 C   0  0
    0.8486   -3.3094    0.0000 C   0  0
   -0.4507   -4.0606    0.0000 N   0  0
   -0.0728   -5.4990    0.0000 C   0  0
   -1.3443   -6.2947    0.0000 C   0  0
   -2.4940   -5.3313    0.0000 N   0  0
   -1.9330   -3.9401    0.0000 C   0  0
    2.1485   -4.0593    0.0000 C   0  0
    2.1490   -5.5594    0.0000 C   0  0
    3.4483   -6.3089    0.0000 C   0  0
    4.7471   -5.5585    0.0000 C   0  0
    4.7466   -4.0585    0.0000 C   0  0
    3.4473   -3.3089    0.0000 C   0  0
   -0.4513   -2.5594    0.0000 C   0  0
   -1.7501   -3.3098    0.0000 C   0  0
   -3.0494   -2.5603    0.0000 C   0  0
   -3.0499   -1.0603    0.0000 C   0  0
   -1.7511   -0.3098    0.0000 C   0  0
   -0.4518   -1.0594    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  9  1  0
  8 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  8 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11353

> <plate>
PLATE 006

> <well>
A3

> <supplier_cmpd_name>
Clotrimazole

> <ctcr_id>
6877

> <supplier_cmpd_id>
T0506

> <smiles>
Clc1ccccc1C(n2ccnc2)(c3ccccc3)c4ccccc4

> <pd_targets>
{CYP8B1,CYP2C19,RORC,KMT2A,MEN1,BLM,NPSR1,ADRB2,AMPC,CYP17A1,ABCB1,NR1I3,CYP3A4,NFKB1,CYP1A2,ADRA1A,CYP121,KCNN4,HIF1A,TP53,SKA,CYP2C9,CYP125,CYP130,CYP2C8,FTL,MAPK1,CYP2D6,HMOX1,L3MBTL1,KCNH2,LMNA,HT
T,VCP,MAPT,USP2,THPO,CYP142,NFO,CHRM1,CYP19A1,PYK,PGR,HTR1B,ATP2A1,CYP51,AR,GMNN,CYP144,MDH1,CYP51B,ATP4A,ATP4B,TSHR,PMP22,ALOX15,GLA,NR1H4,ABCB1A,ABCB1B,ADRA2B,CA2,DRD2,DRD4,CYSLTR1,CHRM2,CHRM4,OPRK1
,PTAFR,HTR2A,HTR6,SLC6A4,TACR2,AVPR2,CACNA1C,ADORA1,ADRB1,HRH1,HTR1A,IDO1,SLC22A1,ADORA2A,ADRA2A,ADRB3,OPRD1,HTR2B,TACR1,CXCR1,ADORA3,DRD3,CHRM3,ADRA1D,NR3C1,FYN,HRH2,OPRM1,HTR2C,TBXAS1,CCR4,KCNA3,SLC
6A2,PTGS2,SLC6A3,ERBB2,IDO2,CYP51A1,ACHE,EGFR,TRPM2,TRPM4,TRPM8,NR1I2,ERG11,HCAR2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Membrane receptor",Transporter,"Other cytosolic protein","Ion channel","Unclassified protein","Other nuclear protein",Oxidoreductase,"Cytochrome 
P450","Nuclear receptor",Reader,"Family A G protein-coupled receptor",Hydrolase,"Primary active transporter","Voltage-gated ion channel",Kinase,Protease,Transferase,Lyase,"Electrochemical transporter"
,"Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1",Bromodomain,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Cytochrome P450 family 17","ATP-binding cas
sette","Cytochrome P450 family 3","Cytochrome P450 family 1","Potassium channels","Protein Kinase","Methyl-lysine/arginine binding protein","Endoplasmic reticular retrotranslocon family","Cysteine pro
tease","Serine protease","Cytochrome P450 family 19","Nuclear hormone receptor subfamily 3","P-type ATPase","Cytochrome P450 family 51","SLC superfamily of solute carriers","Voltage-gated calcium chan
nel","Cytochrome P450 family 5","Transient receptor potential channel","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Monoamine re
ceptor","Cytochrome P450 family 17A","ABCB subfamily","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Calcium-activated potassium channel","CMGC
 protein kinase group","Cytochrome P450 family 2D","MBT domain","Voltage-gated potassium channel","Cysteine protease CA clan","Serine protease PA clan","Cytochrome P450 family 19A","Nuclear hormone re
ceptor subfamily 3 group C","Calcium ATPase","Cytochrome P450 family 51A","Hydrogen potassium ATPase","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group H","Lipid-like ligand receptor
 (family A GPCR)","SLC06 neurotransmitter transporter family","Nucleotide-like receptor (family A GPCR)","SLC22 family of organic cation and anion transporters","Chemokine receptor","TK protein kinase
 group","Cytochrome P450 family 5A","Carboxylic acid receptor","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Neuropeptide receptor","Adrenergic receptor","Cytochrome 
P450 17A1","Nuclear hormone receptor subfamily 1 group I member 3","Cytochrome P450 3A4","Cytochrome P450 1A1","Cytochrome P450 2C9","Cytochrome P450 2C8","CMGC protein kinase MAPK family","Cytochrome
 P450 2D6","Cysteine protease C19 family","Serine protease S1A subfamily","Acetylcholine receptor","Cytochrome P450 19A1","Nuclear hormone receptor subfamily 3 group C member 3","Serotonin receptor","
Cytochrome P450 51A1","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 1 group H member 4","Dopamine receptor","Leukotriene receptor","Opioid receptor","PAF 
receptor","Neurokinin receptor","Vasopressin and oxytocin receptor","Adenosine receptor","Histamine receptor","CXC chemokine receptor","Nuclear hormone receptor subfamily 3 group C member 1","Tyrosine
 protein kinase Src family","Cytochrome P450 5A1","CC chemokine receptor","Tyrosine protein kinase EGFR family","Nuclear hormone receptor subfamily 1 group I member 2","Hydroxycarboxylic acid receptor
","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","Nuclear hormone receptors","G protein-coupled receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Kinas
es (EC 2.7.x.x)","Haem oxygenase","Peptidases and proteinases","P-type ATPases","Eicosanoid turnover","Carbonic anhydrases","SLC superfamily of solute carriers","1.13.11.- Dioxygenases","Catalytic rec
eptors","Acetylcholine turnover",CYP5,"CYP7 and CYP8 families","CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","Neuropeptide S receptor",Adrenoceptors,CYP11,CYP17,CYP19,"CY
P20 and CYP21 families","ABCB subfamily","1I. Vitamin D receptor-like receptors","CYP3 family","CYP1 family","Potassium channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C) Pept
idases","Acetylcholine receptors (muscarinic)","5-Hydroxytryptamine receptors","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","Steroid hormone receptors","Glycoprotein hormone receptors",Lipoxygenases,
"1H. Liver X receptor-like receptors","Dopamine receptors","Leukotriene receptors","Opioid receptors","Platelet-activating factor receptor","SLC6 neurotransmitter transporter family","Tachykinin recep
tors","Vasopressin and oxytocin receptors","Voltage-gated calcium channels","Adenosine receptors","Histamine receptors","SLC22 family of organic cation and anion transporters","Chemokine receptors","R
eceptor kinases",Cyclooxygenase,CYP39,"CYP46 and CYP51 families","Transient Receptor Potential channels","Hydroxycarboxylic acid receptors","Calcium- and sodium-activated potassium channels","Mitogen-
activated protein kinases (MAP kinases)","Voltage-gated potassium channels","C19: Ubiquitin-specific protease","3C. 3-Ketosteroid receptors","Monoamine transporter subfamily","Organic cation transport
ers (OCT)","TK: Tyrosine kinase","ERK subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","DNA Repair",Disease,"Immune System","Signal Transduction","Neuronal System","Cellular responses to external stimuli","Cell Cycle","Vesicle-mediated trans
port","Muscle contraction",Hemostasis,"Developmental Biology","Transport of small molecules","Metabolism of proteins","Biological oxidations","RNA Polymerase II Transcription","DNA Double-Strand Break
 Repair","Infectious disease","Metabolism of lipids","Abacavir transport and metabolism","Cytokine Signaling in Immune system","Signaling by GPCR","Potassium Channels","Cellular responses to stress","
Cell Cycle Checkpoints","Membrane Trafficking","Innate Immune System","Cardiac conduction",Mitotic,"Transmission across Chemical Synapses","Platelet activation","signaling and aggregation","Platelet h
omeostasis","Metabolism of carbohydrates","Nervous system development","O2/CO2 exchange in erythrocytes","Metabolism of amino acids and derivatives","SLC-mediated transmembrane transport","Disorders o
f transmembrane transporters","Ion channel transport","Post-translational protein modification","Phase I - Functionalization of compounds","Generic Transcription Pathway","Homology Directed Repair","L
eishmania infection","Metabolism of steroids","Abacavir transmembrane transport","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by Interleukins","GPCR ligand binding","Ca2+ act
ivated K+ channels","Cellular response to hypoxia","G1/S DNA Damage Checkpoints","trans-Golgi Network Vesicle Budding","Toll-like Receptor Cascades","Phase 3 - rapid repolarisation","M Phase","SARS-Co
V Infections","Neurotransmitter receptors and postsynaptic signal transmission","Platelet Aggregation (Plug Formation)","Platelet calcium homeostasis","Mitotic G1 phase and G1/S transition","Glucose m
etabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Sphingolipid metabolism","Erythrocytes take up carbon dioxide and release oxygen","Interferon Signaling","Neurotransmitter 
clearance","Axon guidance","Tryptophan catabolism","Transport of bile salts and organic acids","metal ions and amine compounds","HIV Infection","GPCR downstream signalling","Voltage gated Potassium ch
annels","SLC transporter disorders","Phospholipid metabolism","Stimuli-sensing channels",SUMOylation,"Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX3","HDR through H
omologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Metabolism of steroid hormones","Nuclear Receptor transcription pathway","Biosynthesis of DHA
-derived SPMs","Interleukin-1 family signaling","Class A/1 (Rhodopsin-like receptors)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","p53-Dependent G1/S DNA damage checkpo
int","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 5 (TLR5) Cascade","Interleukin-4 and Interleukin-13 signaling","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Tra
nscriptional Regulation by MECP2","SARS-CoV-1 Infection","Activation of NMDA receptors and postsynaptic events","Reduction of cytosolic Ca++ levels","Transcriptional regulation by RUNX2","G1/S Transit
ion",Gluconeogenesis,"Biosynthesis of DPA-derived SPMs","Glycosphingolipid metabolism","Bile acid and bile salt metabolism","Interferon gamma signaling","Serotonin clearance from the synaptic cleft","
NCAM signaling for neurite out-growth","Organic cation/anion/zwitterion transport","FOXO-mediated transcription","Host Interactions of HIV factors","G alpha (i) signalling events","Defective SLC6A2 ca
uses orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Semaphorin interactions","Glycerophospholipid biosynthesis","G alpha (q) signalling events","TRP c
hannels","SUMO E3 ligases SUMOylate target proteins","Endogenous sterols",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","HDR through Homologous Recombination (HRR)","Anti-inflammato
ry response favouring Leishmania parasite infection","Androgen biosynthesis","Biosynthesis of maresins","Interleukin-1 signaling","Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response
","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","Mitotic Anaphase","Regulation of MECP2 expression and activity","Attachment and Entry","Post NMDA receptor activation even
ts","RUNX2 regulates bone development","Activation of the pre-replicative complex","Biosynthesis of DPAn-3 SPMs","Synthesis of bile acids and bile salts","MECP2 regulates neuronal receptors and channe
ls","Peptide ligand-binding receptors","NCAM1 interactions","Nucleotide-like (purinergic) receptors","Organic cation transport","FOXO-mediated transcription of oxidative stress","metabolic and neurona
l genes","The role of Nef in HIV-1 replication and disease pathogenesis","Opioid Signalling",Eicosanoids,"Sema4D in semaphorin signaling","Synthesis of PC","Gastrin-CREB signalling pathway via PKC and
 MAPK","SUMOylation of intracellular receptors","Hydroxycarboxylic acid-binding receptors","Sterols are 12-hydroxylated by CYP8B1","CYP2E1 reactions","Homologous DNA Pairing and Strand Exchange","ADOR
A2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"
,Adrenoceptors,"Stabilization of p53","MAP kinase activation","Regulation of TP53 Activity through Methylation","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Regulation
 of TP53 Expression and Degradation","Muscarinic acetylcholine receptors","Serotonin receptors","RUNX2 regulates osteoblast differentiation","Biosynthesis of DPAn-3-derived protectins and resolvins","
Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Dopamine receptors","LTC4-CYSLTR mediated IL4 production","Tachykinin receptors bind tachykinins","Adenosine P1 receptors","Histamine
 receptors","Chemokine receptors bind chemokines","Nef and signal transduction","G-protein activation","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","Presy
naptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE
) Reformation","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{clotrimazole,23593-75-1,23593751,Lotrimin,Canesten,Mycelex,Clotrimazol,Mycosporin,Empecid,Mykosporin,"Gyne lotrimin",Chlotrimazole,Trimysten,1-(o-Chlorotrityl)imidazole,1(oChlorotrityl)imidazole,"Myc
elex G",Rimazole,"Mycelex 7",Tibatin,Mono-baycuten,Monobaycuten,"Lotrimin AF Cream",Mycele,T0506,NSC257473,SAM001247056,1500200,Prestw-267,"NSC 257473",Clotrimazole,CPD000058306,CLOTRIMAZOLE}

> <pdid>
PD002411

> <targets>
{}

> <classes>
{antifungal}

> <pubchem_cids>
{2812}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 13  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  2  1  0
 12  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11354

> <plate>
PLATE 006

> <well>
A4

> <supplier_cmpd_name>
Dermofongin

> <ctcr_id>
2493

> <supplier_cmpd_id>
T0509

> <smiles>
Oc1ccc(Cl)c2cccnc12

> <pd_targets>
{RORC,METAP1,MAPT,HSP90AA1,COMT,BOTA,KDM4E,METAP2,LMNA}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor",Enzyme,"Other cytosolic protein","Epigenetic regulator","Other nuclear protein","Nuclear receptor",Protease,Transferase,Eraser,"Nuclear hormone receptor 
subfamily 1","Metallo protease","Lysine demethylase","Nuclear hormone receptor subfamily 1 group F","Metallo protease MG clan","Metallo protease MAE clan","Jumonji domain-containing","Nuclear hormone 
receptor subfamily 1 group F member 3","Metallo protease M24A subfamily","Metallo protease M27 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Peptidases and proteinases","Heat shock proteins","Catecholamine turnover","Chromatin modifying enzymes","1F. Retinoic acid-rela
ted orphans","MG: Metallo (M) Peptidases","1.14.11.- Histone demethylases","M24: Methionyl aminopeptidase"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","Neuronal System","Cell Cycle",Disease,"RNA Polymerase II Transcription","Signaling by GPCR","Transmission across Chemical Synapses",Mitotic,"I
nfectious disease","Generic Transcription Pathway","GPCR downstream signalling","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G2-G2/M phases","Neurotransmitter clearance",
"Uptake and actions of bacterial toxins","M Phase","Transcriptional regulation by RUNX3","G alpha (i) signalling events","Activation of NMDA receptors and postsynaptic events","G2/M Transition","Dopam
ine clearance from the synaptic cleft","Neurotoxicity of clostridium toxins","Mitotic Metaphase and Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Visual phototransduction","Post NMDA
 receptor activation events","Centrosome maturation","Enzymatic degradation of dopamine by COMT","Toxicity of botulinum toxin type A (botA)","Mitotic Anaphase","The phototransduction cascade","Activat
ion of AMPK downstream of NMDARs","Loss of proteins required for interphase microtubule organization from the centrosome","Nuclear Envelope (NE) Reassembly",Inactivation,"recovery and regulation of th
e phototransduction cascade","Loss of Nlp from mitotic centrosomes","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{KCNK18}

> <broad_moa>
{"potassium channel activator"}

> <synonyms>
{5-CHLORO-8-HYDROXYQUINOLINE,5CHLORO8HYDROXYQUINOLINE,130-16-5,130165,Cloxiquine,cloxyquin,5-Chloroquinolin-8-ol,5Chloroquinolin8ol,5-Chloro-8-quinolinol,5Chloro8quinolinol,"8-Quinolinol, 5-chloro-","
8Quinolinol, 5chloro",Dermofongin,5-Chlorooxine,5Chlorooxine,Chlorisept,Dermofungin,5-Chloro-8-oxyquinoline,5Chloro8oxyquinoline,Chloroxychinolin,"Dermofongin A",8-Hydroxy-5,8Hydroxy5,T0509,1500202,CL
OXYQUIN}

> <pdid>
PD002409

> <targets>
{Bacterial,Fungal,Parasite,PPAR}

> <classes>
{antifungal,antibacterial,Anti-infection,Cell Cycle/DNA Damage}

> <pubchem_cids>
{2817}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    5.1983   -3.0012    0.0000 N   0  0
    5.1988   -1.5012    0.0000 C   0  0
    6.4983   -0.7520    0.0000 N   0  0
    3.8990   -0.7508    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8975   -2.2510    0.0000 O   0  0
    2.5983   -3.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11355

> <plate>
PLATE 006

> <well>
A5

> <supplier_cmpd_name>
Sulfaguanidine

> <ctcr_id>
3541

> <supplier_cmpd_id>
T0510

> <smiles>
NC(=N)N[S](=O)(=O)c1ccc(N)cc1

> <pd_targets>
{PRSS1,PRSS2,PRSS3,LMNA,F2,AMPC}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Protease,Hydrolase,"Serine protease","Serine protease PA clan","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PA: Serine (S) Peptidases","S1: Chymotrypsin"}

> <pathway_reactome>
{"Cell Cycle",Disease,Mitotic,"Diseases of hemostasis","M Phase","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Mitotic Metaphase and Anaphase","Defective factor VIII 
causes hemophilia A","Mitotic Anaphase","Defective F8 cleavage by thrombin","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{57-67-0,57670,Sulfaguanidin,Sulphaguanidine,Sulfaguine,Guanicil,Sulfanilguanidine,Sulfoguanidine,Sulfaguanil,Sulfanilylguanidine,Sulfoguanil,Sulfoguanyl,Abiguanil,Guanidan,Sulfentidine,Aterian,Ganida
n,Guamide,Orgaguanidon,Sulfaguan,1501146,Prestw-10,SULFAGUANIDINE,Sulfaguanidine}

> <pdid>
PD001497

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5324}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    7.6943   -4.1293    0.0000 Cl  0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    3.8756   -9.7579    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
  3 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11356

> <plate>
PLATE 006

> <well>
A6

> <supplier_cmpd_name>
Tolperisone hydrochloride

> <ctcr_id>
6766

> <supplier_cmpd_id>
T0511

> <smiles>
Cl.CC(CN1CCCCC1)C(=O)c2ccc(C)cc2

> <pd_targets>
{LMNA,ADRA2B,SIGMAR1}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"Other protein targets","G protein-coupled receptors","Sigma receptors",Adrenoceptors}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction",Disease,Mitotic,"Signaling by GPCR","Infectious disease","M Phase","GPCR ligand binding","SARS-CoV Infections","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsi
n-like receptors)","Potential therapeutics for SARS","Mitotic Anaphase","Amine ligand-binding receptors","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"Initiation of Nuclear Envelope (NE) Reformati
on"}

> <broad_targets>
{CYP2C19,CYP2D6}

> <broad_moa>
{"voltage-gated sodium channel blocker"}

> <synonyms>
{"Tolperisone hydrochloride",3644-61-9,3644619,"Tolperisone HCl","Tolperisone (hydrochloride)","2,4'-Dimethyl-3-piperidinopropiophenone hydrochloride","2,4'Dimethyl3piperidinopropiophenone hydrochlori
de","2-Methyl-3-piperidino-1-p-tolylpropan-1-one hydrochloride","2Methyl3piperidino1ptolylpropan1one hydrochloride",Midocalm,Muscalm,3644-61,364461,T0511,1501194,"TOLPERISONE HYDROCHLORIDE"}

> <pdid>
PD014588

> <targets>
{Others}

> <classes>
{muscle relaxant (skeletal),Others}

> <pubchem_cids>
{92965,45489856}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -1.3071   -9.7511    0.0000 S   0  0
   -0.0078  -10.5008    0.0000 O   0  0
   -1.3064  -11.2511    0.0000 O   0  0
   -2.6063  -10.5023    0.0000 N   0  0
   -2.6064  -12.0032    0.0000 C   0  0
   -3.8181  -12.8655    0.0000 S   0  0
   -3.3517  -14.2911    0.0000 C   0  0
   -1.8517  -14.2881    0.0000 C   0  0
   -1.3911  -12.8605    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11357

> <plate>
PLATE 006

> <well>
A7

> <supplier_cmpd_name>
Phthalylsulfathiazole

> <ctcr_id>
4777

> <supplier_cmpd_id>
T0512

> <smiles>
OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)Nc3sccn3

> <pd_targets>
{CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{}

> <broad_moa>
{"dihydropteroate synthetase inhibitor"}

> <synonyms>
{RESTW86,phthalylsulfathiazole,85-73-4,85734,Sulfathalidine,Phthalazol,Phthalylsulphathiazole,Phthalylsulfonazole,Sulphaphthalyl,Phthalazole,Sulfaphthalazole,Phthalylnorsulfazole,Cremothalidine,Entera
mida,Entexidina,Phtalazol,Intestiazol,Phthalidin,Sulfacetil,T0512,1502021,Prestw-869,Phthalylsulfathiazole,PHTHALYLSULFATHIAZOLE}

> <pdid>
PD001426

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{4806}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 I   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 I   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11358

> <plate>
PLATE 006

> <well>
A8

> <supplier_cmpd_name>
Iodoquinol

> <ctcr_id>
6668

> <supplier_cmpd_id>
T0513

> <smiles>
Oc1c(I)cc(I)c2cccnc12

> <pd_targets>
{CYP1A2,LMNA,HIF1A,RORC,ALOX15,COMT,HDAC8,HDAC7,MAPT,KMT2A,MEN1,HPGD,TP53,OPRK1,BOTA,HDAC2,HDAC5,CA15,KDM4E,HTT,HSP90AA1,APE1,HDAC9,ALDH1A1,CYP3A4,APP,TGR,FFP,ALOX12,MAPK1,HDAC4,ALOX5,ALOX15B,ALD,SKA,
NR1I2,STAT6,MAPK14,ACE,AMPC,HSD17B10,MAPK3,ERBB2,PAX8,ADORA3,EGFR,LCK,FYN}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Membrane receptor","Cytochrome P450",Protease,"Nuclear receptor",Oxidore
ductase,Transferase,Eraser,Reader,"Family A G protein-coupled receptor",Lyase,Kinase,"Cytochrome P450 family 1","Cysteine protease","Nuclear hormone receptor subfamily 1","Histone deacetylase",Bromodo
main,"Peptide receptor (family A GPCR)","Metallo protease","Lysine demethylase","Cytochrome P450 family 3","Protein Kinase","Cytochrome P450 family 1A","Cysteine protease CA clan","Nuclear hormone rec
eptor subfamily 1 group F","HDAC class I","HDAC class IIa","Short peptide receptor (family A GPCR)","Metallo protease MAE clan","Jumonji domain-containing","Metallo protease MH clan","Cytochrome P450 
family 3A","CMGC protein kinase group","Cytochrome P450 1A1","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","Opioid receptor","Metallo protease M27 family","Met
allo protease M18 family","Cytochrome P450 3A4","CMGC protein kinase MAPK family","CMGC protein kinase ERK1","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group 
I member 2",Hydrolase,"Small molecule receptor (family A GPCR)","TK protein kinase group","Nucleotide-like receptor (family A GPCR)","Metallo protease M2 family","Tyrosine protein kinase EGFR family",
"Adenosine receptor","Tyrosine protein kinase Src family","CMGC protein kinase p38 subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Cytochrome P450","Nuclear hormone receptors","Eicosanoid turnover","Catecholamine turnover","Chromatin modifying enzymes","G protein-coupled receptors","Hea
t shock proteins","Kinases (EC 2.7.x.x)","CYP1 family","1F. Retinoic acid-related orphans",Lipoxygenases,"3.5.1.- Histone deacetylases (HDACs)","Prostaglandin synthases","Opioid receptors","1.14.11.- 
Histone demethylases","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily","1I. Vitamin D receptor-like receptors","Transcrip
tion factors","Peptidases and proteinases","Catalytic receptors","STAT transcription factors","MA: Metallo (M) Peptidases","Receptor kinases","Adenosine receptors","M2: Angiotensin-converting  (ACE an
d ACE2)","TK: Tyrosine kinase","p38 subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Cellular responses to external stimuli","Gene expression (Transcription)","Neuronal System",Disease,"Immune System","Biological oxidations",Mitotic,"Cellular responses to str
ess","RNA Polymerase II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Cell Cycle Che
ckpoints","Infectious disease","Innate Immune System","Phase I - Functionalization of compounds","M Phase","Cellular response to hypoxia","Generic Transcription Pathway","Biosynthesis of specialized p
roresolving mediators (SPMs)","Neurotransmitter clearance","Signaling by NOTCH1 in Cancer","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Uptake and a
ctions of bacterial toxins","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylati
on of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Dopamine clearance from the synaptic cleft","Signaling by NOTCH1 HD+PEST Domain Mutants 
in Cancer","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by MECP2","Neurotoxicity of 
clostridium toxins","Transcriptional Regulation by TP53","G2/M Transition","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX2",Xenobiotics,"Mitotic Anaphase
","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Enzymatic degradation of dopamine by COMT","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Post NMDA re
ceptor activation events","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","MECP2 regulates neuronal receptors and channels","Toxicity of botulinum toxin type A (botA)","Reg
ulation of TP53 Activity","Regulation of MECP2 expression and activity","Centrosome maturation","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","RUNX2 regulates bone developmen
t","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Separation of Sister Chromatids","Ac
tivation of AMPK downstream of NMDARs","Stabilization of p53","Regulation of TP53 Activity through Acetylation","Loss of proteins required for interphase microtubule organization from the centrosome",
"Biosynthesis of maresin-like SPMs","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Biosynthesis of DPAn-3-derived maresins","MAP kinase activation","RUNX2 regulates chondrocy
te maturation","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP 
kinases","ERK/MAPK targets","ERKs are inactivated","Metabolism of proteins","Post-translational protein modification","Fatty acid metabolism",SUMOylation,"Arachidonic acid metabolism","SUMO E3 ligases
 SUMOylate target proteins","Synthesis of 15-eicosatetraenoic acid derivatives","SUMOylation of intracellular receptors","Biosynthesis of DPAn-3-derived 13-series resolvins","Developmental Biology","S
ignal Transduction","Peptide hormone metabolism","Metabolism of amino acids and derivatives","Nervous system development","Signaling by GPCR","Cytosolic sensors of pathogen-associated DNA","Metabolism
 of Angiotensinogen to Angiotensins","Branched-chain amino acid catabolism","Axon guidance","GPCR ligand binding","GPCR downstream signalling","HIV Infection","STING mediated induction of host immune 
responses","Semaphorin interactions","Class A/1 (Rhodopsin-like receptors)","G alpha (q) signalling events","Host Interactions of HIV factors","STAT6-mediated induction of chemokines","Sema4D in semap
horin signaling","Nucleotide-like (purinergic) receptors","Gastrin-CREB signalling pathway via PKC and MAPK","The role of Nef in HIV-1 replication and disease pathogenesis","Sema4D induced cell migrat
ion and growth-cone collapse","Adenosine P1 receptors","EGFR Transactivation by Gastrin","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Nef and signa
l transduction","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{}

> <broad_moa>
{antiseptic}

> <synonyms>
{iodoquinol,Diiodohydroxyquinoline,83-73-8,83738,"5,7-diiodoquinolin-8-ol","5,7diiodoquinolin8ol","5,7-Diiodo-8-hydroxyquinoline","5,7Diiodo8hydroxyquinoline","5,7-Diiodo-8-quinolinol","5,7Diiodo8quin
olinol",Diiodoquin,DIIODOHYDROXYQUIN,Yodoxin,Diodoquin,Sebaquin,"8-Quinolinol, 5,7-diiodo-","8Quinolinol, 5,7diiodo",Ioquin,Diodohydroxyquin,Dijodoxich,1500353,IODOQUINOL}

> <pdid>
PD000622

> <targets>
{}

> <classes>
{antiamebic}

> <pubchem_cids>
{3728}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 19  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.9048   -5.7699    0.0000 C   0  0
    2.7505   -7.0088    0.0000 C   0  0
    4.2462   -6.8959    0.0000 C   0  0
    4.8963   -5.5441    0.0000 C   0  0
    4.0507   -4.3052    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  3 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  2  1  0
 17 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11359

> <plate>
PLATE 006

> <well>
A9

> <supplier_cmpd_name>
Phenylindione

> <ctcr_id>
1662

> <supplier_cmpd_id>
T0514

> <smiles>
O=C1C(c2ccccc2)C(=O)c3ccccc13

> <pd_targets>
{MAPT,TP53,CYP3A4,NS1,FTL,MAPK1,CYP1A2,LMNA,TGR,ALOX5,VKORC1}

> <pathway_gtopdb>
{"Other cytosolic protein","Transcription factor",Enzyme,"Unclassified protein","Other nuclear protein","Cytochrome P450",Kinase,Oxidoreductase,"Cytochrome P450 family 3","Protein Kinase","Cytochrome 
P450 family 1","Cytochrome P450 family 3A","CMGC protein kinase group","Cytochrome P450 family 1A","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Cytochrome P450 1A1","CMGC protein kinase ER
K1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Kinases (EC 2.7.x.x)","Eicosanoid turnover","1.-.-.- Oxidoreductases","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family",Lipoxygenases,"Mitogen-act
ivated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Cell Cycle",Metabolism,"Vesicle-mediated transport","Immune System","Transmission across Chemical Synapses","Cell Cycle Checkpoints","Metabolism of lipids","Membrane Trafficking","
Innate Immune System","Biological oxidations",Mitotic,"Metabolism of vitamins and cofactors","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Biosynthes
is of specialized proresolving mediators (SPMs)","trans-Golgi Network Vesicle Budding","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","M Phase","Metabolism of fat-soluble vit
amins","Activation of NMDA receptors and postsynaptic events","p53-Dependent G1/S DNA damage checkpoint","Biosynthesis of DHA-derived SPMs","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 5 
(TLR5) Cascade","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Biosynthesis of DPA-derived SPMs","Metabolism of vitamin K","Post NMDA receptor activation events","p53
-Dependent G1 DNA Damage Response","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane",Xenobiotics,"Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","Activation of AMPK downstream o
f NMDARs","Stabilization of p53","Biosynthesis of maresin-like SPMs","MAP kinase activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Bios
ynthesis of DPAn-3-derived 13-series resolvins","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformatio
n","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{VKORC1}

> <broad_moa>
{"vitamin K antagonist"}

> <synonyms>
{phenindione,83-12-5,83125,"2-Phenyl-1,3-indandione","2Phenyl1,3indandione","2-Phenyl-1H-indene-1,3(2H)-dione","2Phenyl1Hindene1,3(2H)dione",Rectadione,Dindevan,Phenylindanedione,Phenylindione,Athromb
on,Diophindane,Emandione,Fenhydren,Phenhydren,Phenillin,Phenyline,Theradione,Danedion,Fenilin,Hedulin,P,T0514,1500477,Prestw-538,PHENINDIONE,Phenindione}

> <pdid>
PD001807

> <targets>
{Others}

> <classes>
{anticoagulant,Others}

> <pubchem_cids>
{4760}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 S   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  2  0
 11  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11360

> <plate>
PLATE 006

> <well>
A10

> <supplier_cmpd_name>
Tioxolone

> <ctcr_id>
6665

> <supplier_cmpd_id>
T0515

> <smiles>
Oc1ccc2SC(=O)Oc2c1

> <pd_targets>
{ALPI,MAPT,HTT,CA2,MAOA,MAOB,ALPG,HPGD}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Unclassified protein",Phosphatase,Lyase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases","Catecholamine turnover","Eicosanoid turnover","Prostaglandin synthases"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Gene expression (Transcription)","Transport of small molecules","Metabolism of proteins","Metabolism of lipids","Transmission across Chemical Synapses","RNA Polymerase I
I Transcription","O2/CO2 exchange in erythrocytes","Biological oxidations","Post-translational protein modification","Phospholipid metabolism","Neurotransmitter receptors and postsynaptic signal trans
mission","Generic Transcription Pathway","Erythrocytes take up carbon dioxide and release oxygen","Phase I - Functionalization of compounds","Post-translational modification: synthesis of GPI-anchored
 proteins","Biosynthesis of specialized proresolving mediators (SPMs)","Glycerophospholipid biosynthesis","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by MECP2","
Amine Oxidase reactions","Biosynthesis of DHA-derived SPMs","Synthesis of PA","Post NMDA receptor activation events","Regulation of MECP2 expression and activity","Biogenic amines are oxidatively deam
inated to aldehydes by MAOA and MAOB","Biosynthesis of D-series resolvins","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{CA2}

> <broad_moa>
{"carbonic anhydrase inhibitor"}

> <synonyms>
{Tioxolone,4991-65-5,4991655,"6-Hydroxy-1,3-benzoxathiol-2-one","6Hydroxy1,3benzoxathiol2one",Thioxolone,"6-hydroxybenzo(d)(1,3)oxathiol-2-one","6hydroxybenzo(d)(1,3)oxathiol2one",Tioxolon,Camyna,Thio
xalone,Tioxolona,Tioxolonum,"1,3-Benzoxathiol-2-one, 6-hydroxy-","1,3Benzoxathiol2one, 6hydroxy",UNII-S0FAJ1R9CD,UNIIS0FAJ1R9CD,"6-Hydro-2-oxo-1,3-benzoxathiole","6Hydro2oxo1,3benzoxathiole",6-hydrox,
6hydrox,T0515,S2603}

> <pdid>
PD001080

> <targets>
{"Carbonic Anhydrase"}

> <classes>
{Metabolism}

> <pubchem_cids>
{72139}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  1  0            999 V2000
    7.6968    2.6232    0.0000 Cl  0  0
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    3.8971    0.7500    0.0000 O   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 C   0  0
    5.1961    3.0001    0.0000 C   0  0
    3.8971    5.2500    0.0000 C   0  0
    5.1961    6.0001    0.0000 C   0  0
    5.1961    7.5001    0.0000 C   0  0
    3.8970    8.2500    0.0000 C   0  0
    2.5980    7.5000    0.0000 C   0  0
    1.2990    8.2500    0.0000 O   0  0
    2.5980    6.0000    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 O   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
   -3.8976   -0.7554    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 12  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21  9  1  0
 21 22  2  3
 22 23  1  0
 22 24  1  0
 24  6  1  0
 24 25  1  6
 24 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  3
 29  5  1  0
 29 30  1  0
 28 31  1  0
 31 32  2  0
 31 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11361

> <plate>
PLATE 006

> <well>
A11

> <supplier_cmpd_name>
Methacycline hydrochloride

> <ctcr_id>
3354

> <supplier_cmpd_id>
T0518

> <smiles>
Cl.CN(C)C1C2C(O)C3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"METHACYCLINE HYDROCHLORIDE",3963-95-9,3963959,"Methacycline HCl",Rondomycin,"Metacycline hydrochloride",Adriamicina,Ciclobiotic,Germiciclin,Metadomus,Londomycin,UNII-9GJ0N7ZAP0,UNII9GJ0N7ZAP0,"Metha
cycline (hydrochloride)",C22H23ClN2O8,9GJ0N7ZAP0,C,1501104,Prestw-964,"Methacycline hydrochloride"}

> <pdid>
PD013171

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{54685047}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  1  0            999 V2000
    6.4878    3.7603    0.0000 C   0  0
    5.1904    3.0075    0.0000 C   0  0
    5.1927    1.5067    0.0000 O   0  0
    3.8946    0.7534    0.0000 C   0  0
    2.5942    1.5010    0.0000 O   0  0
    3.8969   -0.7474    0.0000 O   0  0
    2.5988   -1.5006    0.0000 C   0  0  2  0  0  0
    2.5994   -3.0015    0.0000 C   0  0  1  0  0  0
    3.2592   -4.1820    0.0000 C   0  0
    2.6542   -5.3422    0.0000 C   0  0  2  0  0  0
    1.0894   -5.8580    0.0000 C   0  0
    0.3625   -4.6180    0.0000 C   0  0
    1.9253   -4.2192    0.0000 N   0  0
    3.2340   -5.4949    0.0000 C   0  0
    3.6263   -6.6007    0.0000 C   0  0  2  0  0  0
    4.2592   -7.9484    0.0000 C   0  0
    5.7540   -8.0737    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0042   -5.9990    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  1
 10  9  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 15 16  1  6
 16 17  2  0
  7 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  2  0
 29 18  1  0
 29 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11362

> <plate>
PLATE 006

> <well>
B2

> <supplier_cmpd_name>
Euquinine

> <ctcr_id>
5775

> <supplier_cmpd_id>
T0519

> <smiles>
CCOC(=O)O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccc(OC)cc34

> <pd_targets>
{LMNA,CYP3A4}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Mitotic,"Metabolism of lipids","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Mitot
ic Anaphase","Biosynthesis of maresins","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"QUININE ETHYL CARBONATE",SR-05000001977,SR05000001977,83-75-0,83750,quinine-ethyl-carbonate,quinineethylcarbonate,Spectrum_001229,Spectrum001229,Spectrum-001229,"Spectrum 001229",Spectrum2_001913,Sp
ectrum2001913,Spectrum2-001913,"Spectrum2 001913",Spectrum3_001342,Spectrum3001342,Spectrum3-001342,"Spectrum3 001342",Spectrum4_000126,Spectrum4000126,Spectrum4-000126,"Spectrum4 000126",Spectrum5_00
0734,Spectrum5000734,Spectrum5-000734,"Spectrum5 000734",BSPBio_003123,BSPBio003123,BSPBio-003123,"BSPBio 003123",KBioGR_000512,KBioGR000512,KBioGR-000512,"KBioGR 000512",KBioSS_001709,KBioSS001709,KB
ioSS-001709,"KBioSS 001709",SPECTRUM310050,DivK1c_000700,DivK1c000700,DivK1c-000700,"DivK1c 000700",S,T0519,310050,Euquinine}

> <pdid>
PD001951

> <targets>
{}

> <classes>
{antimalarial}

> <pubchem_cids>
{5702001}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 O   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0897    3.7657    0.0000 N   0  0
  -10.3910    3.0180    0.0000 C   0  0
  -10.3936    1.5180    0.0000 O   0  0
  -11.6897    3.7702    0.0000 N   0  0
  -12.9910    3.0224    0.0000 C   0  0
  -14.4118    3.0680    0.0000 C   0  0
  -13.6617    1.7690    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 N   0  0
   -1.3032   -3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 19  1  0
 14 22  1  0
 22 23  1  0
 22 24  2  0
 24 11  1  0
  9 25  2  0
 25  5  1  0
 25 26  1  0
 26 27  2  0
 27  3  1  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11363

> <plate>
PLATE 006

> <well>
B3

> <supplier_cmpd_name>
Lenvatinib

> <ctcr_id>
5913

> <supplier_cmpd_id>
T0520

> <smiles>
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O

> <pd_targets>
{KDR,FLT1,FLT4,NCOA4,RET,CA5A,KIF5B,CCDC6,FGFR1,FGFR2,FGFR3,FGFR4,PDGFRA,KIT}

> <pathway_gtopdb>
{Enzyme,Kinase,Lyase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase FGFR family","Tyrosine protein kina
se PDGFR family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Carbonic anhydrases","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) rece
ptor family","Type XIV RTKs: RET","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Developmental Biology",Disease,"Signaling by Receptor Tyrosine Kinases","Reversible hydration of carbon dioxide","Nervous system development","Diseases of signal tra
nsduction by growth factor receptors and second messengers","Signaling by VEGF","Axon guidance","Signaling by FGFR in disease","Signaling by FGFR","Signaling by PDGFR in disease","Signaling by KIT in 
disease","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","RET signaling","Signaling by FGFR1 in disease","Signaling by FGFR2 in disease","Signaling by FGFR3 in disease","Signaling by FGFR4"
,"Drug resistance of PDGFR mutants","Drug resistance of KIT mutants","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization","FGFR1 mutant receptor activation","FGF
R2 mutant receptor activation","Signaling by FGFR3 point mutants in cancer","Downstream signaling of activated FGFR4","Imatinib-resistant PDGFR mutants","Dasatinib-resistant KIT mutants","Signaling by
 activated point mutants of FGFR1","Activated point mutants of FGFR2","FGFR3 mutant receptor activation","FRS-mediated FGFR4 signaling","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FLT4,KDR}

> <broad_moa>
{"FGFR inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","VEGFR inhibitor"}

> <synonyms>
{Lenvatinib,417716-92-8,417716928,E7080,"Lenvatinib (E7080)",Lenvima,"E7080 (Lenvatinib)","E 7080",E-7080,ER-203492-00,ER20349200,UNII-EE083865G2,UNIIEE083865G2,"Lenvatinib free base",CHEMBL1289601,CH
EBI:85994,"417716-92-8 (free base)","417716928 (free base)",EE083865G2,"Lenvatinib (USAN:INN)",Kisplyx,LEV,Len,T0520,755980,S1164,lenvatinib}

> <pdid>
PD003669

> <targets>
{VEGFR-PDGFR,VEGFR,c-Kit,FGFR,PDGFR,RET}

> <classes>
{Protein Tyrosine Kinase,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{9823820}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 59 64  0  0  0  0            999 V2000
   10.2943    0.3770    0.0000 N   0  0
    1.2636   -2.2496    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5801    0.0303    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -4.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 C   0  0
   -7.7942   -3.0000    0.0000 C   0  0
   -9.0933   -3.7501    0.0000 C   0  0
   -9.0565   -2.2505    0.0000 C   0  0
   -9.0933   -5.2501    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0
   -6.4952   -5.2500    0.0000 C   0  0
   -6.4952   -6.7500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.0311   -4.2500    0.0000 C   0  0
  -10.3567   -4.5216    0.0000 C   0  0
  -10.2827   -6.0198    0.0000 O   0  0
  -11.6914   -3.8371    0.0000 O   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    1.2934    3.7495    0.0000 O   0  0
    1.2883    5.2495    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    2.5795    7.5040    0.0000 O   0  0
    3.8863    5.2585    0.0000 C   0  0
    5.1828    6.0130    0.0000 O   0  0
    3.8915    3.7585    0.0000 C   0  0
    5.1924    3.0100    0.0000 O   0  0
    6.4915    3.7614    0.0000 C   0  0
    6.4873    5.2615    0.0000 O   0  0
    7.7842    6.0152    0.0000 C   0  0
    9.0854    5.2689    0.0000 C   0  0
   10.3823    6.0225    0.0000 O   0  0
    9.0896    3.7689    0.0000 C   0  0
   10.3908    3.0226    0.0000 O   0  0
    7.7927    3.0152    0.0000 C   0  0
    7.7970    1.5152    0.0000 O   0  0
    7.7769    7.5160    0.0000 C   0  0
    9.0725    8.2719    0.0000 O   0  0
    6.9087    8.0123    0.0000 O   0  0
   -0.0156    5.9928    0.0000 C   0  0
   -0.0234    7.4927    0.0000 O   0  0
   -1.3110    5.2364    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10  3  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15  8  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 20  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 13  1  0
 30 19  1  0
 30 31  1  0
 22 32  1  0
 32 33  1  0
 32 34  2  0
  5 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 36  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 48 50  1  0
 50 51  1  0
 50 52  1  0
 52 45  1  0
 52 53  1  0
 47 54  1  0
 54 55  1  0
 54 56  2  0
 38 57  1  0
 57 58  1  0
 57 59  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11364

> <plate>
PLATE 006

> <well>
B4

> <supplier_cmpd_name>
Diammonium Glycyrrhizinate

> <ctcr_id>
3547

> <supplier_cmpd_id>
T0522

> <smiles>
N.CC1(C)C(CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C(O)=O)C(O)=O

> <pd_targets>
{ABCC2,HMGB1,HSD11B1,HSD11B2,SLCO1B3,SLCO1B1,SLCO1B2,TNF,CASP3,LPL}

> <pathway_gtopdb>
{Transporter,"Unclassified protein",Enzyme,"Secreted protein","Primary active transporter",Protease,Oxidoreductase,"Electrochemical transporter",Hydrolase,"ATP-binding cassette","Cysteine protease","S
LC superfamily of solute carriers","ABCC subfamily","Cysteine protease CA clan","SLC21/SLCO family of organic anion transporting polypeptides","Cysteine protease CD clan","Cysteine protease C1A family
","Cysteine protease C14 family","Cysteine protease C14A subfamily"}

> <pathway_chembl>
{Transporters,Enzymes,"ATP-binding cassette transporter family","1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","Peptidases and proteinases","ABCC subfamily","SLCO family of organic ani
on transporting polypeptides","CD: Cysteine (C) Peptidases","C14: Caspase"}

> <pathway_reactome>
{Disease,"Immune System",Metabolism,"Programmed Cell Death","Disorders of transmembrane transporters","Innate Immune System","Metabolism of lipids","Cytokine Signaling in Immune system",Apoptosis,"Met
abolism of vitamins and cofactors","ABC transporter disorders","Toll-like Receptor Cascades","Metabolism of steroids","Signaling by Interleukins","Intrinsic Pathway for Apoptosis","Metabolism of fat-s
oluble vitamins","Defective ABCC2 causes DJS","Toll Like Receptor 5 (TLR5) Cascade","Metabolism of steroid hormones","Bile acid and bile salt metabolism","Interleukin-10 signaling","Apoptotic factor-m
ediated response","Retinoid metabolism and transport","MyD88 cascade initiated on plasma membrane","Glucocorticoid biosynthesis","Recycling of bile acids and salts","Cytochrome c-mediated apoptotic re
sponse","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Activation of caspases through apoptosome-mediated cleavage"}

> <broad_targets>
{HSD11B1,HSD11B2,SLCO1B1,SLCO1B3}

> <broad_moa>
{"thrombin inhibitor"}

> <synonyms>
{"Glycyrrhizic Acid, NH4+","Glycyrrhizin, Ammonium Salt",NSC2800,"AMMONIUM GLYCYRRHIZINATE",Stearoptenes,"Glycyrrhizic acid, ammonium salt",53956-04-0,53956040,"Glycyrrhizinic acid, ammonium salt (1:1
)",CHEMBL4436500,1406-57-1,1406571,1407-03-0,1407030,B,T0522,T6384,T2741,S2376,"Diammonium Glycyrrhizinate","Ammonium Glycyrrhizinate",Glycyrrhizin}

> <pdid>
PD000479

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{16760471,5351452,75059482}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 12  0  0  1  0            999 V2000
   -2.2322    1.5121    0.0000 C   0  0
   -3.2310    0.3930    0.0000 C   0  0
   -4.6860    0.7580    0.0000 C   0  0
   -3.2310   -1.9430    0.0000 C   0  0  2  0  0  0
   -4.5628   -2.3141    0.0000 C   0  0
   -3.8642   -1.1134    0.0000 C   0  0
   -2.4451   -0.7641    0.0000 C   0  0  2  0  0  0
   -2.4728   -2.2638    0.0000 C   0  0
   -1.2226   -1.1134    0.0000 C   0  0
    0.1650   -0.5436    0.0000 O   0  0
   -1.8993   -2.3141    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  1
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11365

> <plate>
PLATE 006

> <well>
B5

> <supplier_cmpd_name>
Camphor

> <ctcr_id>
2838

> <supplier_cmpd_id>
T2952

> <smiles>
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2

> <pd_targets>
{TRPV1,TRPV3,TRPA1,TRPM8,ALDH1A1,LMNA,ACHE,CAMC,MAPT,RORC}

> <pathway_gtopdb>
{"Ion channel","Voltage-gated ion channel","Transient receptor potential channel",Enzyme,"Other nuclear protein",Oxidoreductase,Hydrolase,"Cytochrome P450","Cytochrome P450 CAM family","Other cytosoli
c protein","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Transient Receptor Potential channels",Enzymes,"Acetylcholine turnover",Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Transport of small molecules","Ion channel transport","Stimuli-sensing channels","TRP channels",Metabolism,"Cell Cycle","Biological oxidations",Mitotic,"Metabolism of lipids","Phase I - Functionaliz
ation of compounds","M Phase","Phospholipid metabolism","Ethanol oxidation","Mitotic Metaphase and Anaphase","Glycerophospholipid biosynthesis","Mitotic Anaphase","Synthesis of PC","Nuclear Envelope (
NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation","Neuronal System","Gene expression (Transcription)","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Neurotr
ansmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Post NMDA recept
or activation events","RUNX3 Regulates Immune Response and Cell Migration","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{TRPV1}

> <broad_moa>
{"TRPV activator"}

> <synonyms>
{D-CAMPHOR,DCAMPHOR,(+)-Camphor,(+)Camphor,(R)-Camphor,(R)Camphor,(R)-(+)-Camphor,(R)(+)Camphor,464-49-3,464493,"(1R,4R)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one","(1R,4R)1,7,7trimethylbicyclo(2.2.1)
heptan2one",(1R)-(+)-Camphor,(1R)(+)Camphor,(+)-Bornan-2-one,(+)Bornan2one,DL-Camphor,DLCamphor,"(1R,4R)-camphor","(1R,4R)camphor",Camphor(D),"Camphor (1R)",Camphora,d-2-Bornanone,d2Bornanone,(+)-2-Bo
rnanone,(+)2Bornanone,T0882,T2952,TMS2262,1500156,D-Camphor,Camphor,(-)-CAMPHOR,"CAMPHOR (1R)"}

> <pdid>
PD002447

> <targets>
{Influenza Virus,TRP Channel}

> <classes>
{analgesic,antiinfective,antipruritic,Anti-infection,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{159055}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 59 64  0  0  0  0            999 V2000
   10.2943    0.3770    0.0000 N   0  0
    1.2636   -2.2496    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5801    0.0303    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -4.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 C   0  0
   -7.7942   -3.0000    0.0000 C   0  0
   -9.0933   -3.7501    0.0000 C   0  0
   -9.0565   -2.2505    0.0000 C   0  0
   -9.0933   -5.2501    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0
   -6.4952   -5.2500    0.0000 C   0  0
   -6.4952   -6.7500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.0311   -4.2500    0.0000 C   0  0
  -10.3567   -4.5216    0.0000 C   0  0
  -10.2827   -6.0198    0.0000 O   0  0
  -11.6914   -3.8371    0.0000 O   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    1.2934    3.7495    0.0000 O   0  0
    1.2883    5.2495    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    2.5795    7.5040    0.0000 O   0  0
    3.8863    5.2585    0.0000 C   0  0
    5.1828    6.0130    0.0000 O   0  0
    3.8915    3.7585    0.0000 C   0  0
    5.1924    3.0100    0.0000 O   0  0
    6.4915    3.7614    0.0000 C   0  0
    6.4873    5.2615    0.0000 O   0  0
    7.7842    6.0152    0.0000 C   0  0
    9.0854    5.2689    0.0000 C   0  0
   10.3823    6.0225    0.0000 O   0  0
    9.0896    3.7689    0.0000 C   0  0
   10.3908    3.0226    0.0000 O   0  0
    7.7927    3.0152    0.0000 C   0  0
    7.7970    1.5152    0.0000 O   0  0
    7.7769    7.5160    0.0000 C   0  0
    9.0725    8.2719    0.0000 O   0  0
    6.9087    8.0123    0.0000 O   0  0
   -0.0156    5.9928    0.0000 C   0  0
   -0.0234    7.4927    0.0000 O   0  0
   -1.3110    5.2364    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10  3  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15  8  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 20  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 13  1  0
 30 19  1  0
 30 31  1  0
 22 32  1  0
 32 33  1  0
 32 34  2  0
  5 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 36  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 48 50  1  0
 50 51  1  0
 50 52  1  0
 52 45  1  0
 52 53  1  0
 47 54  1  0
 54 55  1  0
 54 56  2  0
 38 57  1  0
 57 58  1  0
 57 59  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11366

> <plate>
PLATE 006

> <well>
B6

> <supplier_cmpd_name>
Glycyrrhizin

> <ctcr_id>
3547

> <supplier_cmpd_id>
T2741

> <smiles>
N.CC1(C)C(CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C(O)=O)C(O)=O

> <pd_targets>
{ABCC2,HMGB1,HSD11B1,HSD11B2,SLCO1B3,SLCO1B1,SLCO1B2,TNF,CASP3,LPL}

> <pathway_gtopdb>
{Transporter,"Unclassified protein",Enzyme,"Secreted protein","Primary active transporter",Protease,Oxidoreductase,"Electrochemical transporter",Hydrolase,"ATP-binding cassette","Cysteine protease","S
LC superfamily of solute carriers","ABCC subfamily","Cysteine protease CA clan","SLC21/SLCO family of organic anion transporting polypeptides","Cysteine protease CD clan","Cysteine protease C1A family
","Cysteine protease C14 family","Cysteine protease C14A subfamily"}

> <pathway_chembl>
{Transporters,Enzymes,"ATP-binding cassette transporter family","1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","Peptidases and proteinases","ABCC subfamily","SLCO family of organic ani
on transporting polypeptides","CD: Cysteine (C) Peptidases","C14: Caspase"}

> <pathway_reactome>
{Disease,"Immune System",Metabolism,"Programmed Cell Death","Disorders of transmembrane transporters","Innate Immune System","Metabolism of lipids","Cytokine Signaling in Immune system",Apoptosis,"Met
abolism of vitamins and cofactors","ABC transporter disorders","Toll-like Receptor Cascades","Metabolism of steroids","Signaling by Interleukins","Intrinsic Pathway for Apoptosis","Metabolism of fat-s
oluble vitamins","Defective ABCC2 causes DJS","Toll Like Receptor 5 (TLR5) Cascade","Metabolism of steroid hormones","Bile acid and bile salt metabolism","Interleukin-10 signaling","Apoptotic factor-m
ediated response","Retinoid metabolism and transport","MyD88 cascade initiated on plasma membrane","Glucocorticoid biosynthesis","Recycling of bile acids and salts","Cytochrome c-mediated apoptotic re
sponse","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Activation of caspases through apoptosome-mediated cleavage"}

> <broad_targets>
{HSD11B1,HSD11B2,SLCO1B1,SLCO1B3}

> <broad_moa>
{"thrombin inhibitor"}

> <synonyms>
{"Glycyrrhizic Acid, NH4+","Glycyrrhizin, Ammonium Salt",NSC2800,"AMMONIUM GLYCYRRHIZINATE",Stearoptenes,"Glycyrrhizic acid, ammonium salt",53956-04-0,53956040,"Glycyrrhizinic acid, ammonium salt (1:1
)",CHEMBL4436500,1406-57-1,1406571,1407-03-0,1407030,B,T0522,T6384,T2741,S2376,"Diammonium Glycyrrhizinate","Ammonium Glycyrrhizinate",Glycyrrhizin}

> <pdid>
PD000479

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{16760471,5351452,75059482}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  4  2  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10  4  1  0
 10 11  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11367

> <plate>
PLATE 006

> <well>
B7

> <supplier_cmpd_name>
DL-Menthol

> <ctcr_id>
6546

> <supplier_cmpd_id>
T2979

> <smiles>
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O

> <pd_targets>
{TRPA1,TRPM8,CACNA1C,TRPV3,OPRK1,CACNA1A,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor","Voltage-gated ion channel","Family A G protein-coupled receptor","Transient receptor potential channel","Voltage-gated calcium channel","Peptide receptor (family A 
GPCR)","Short peptide receptor (family A GPCR)","Opioid receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,"Voltage-gated ion channels","G protein-coupled receptors","Transient Receptor Potential channels","Voltage-gated calcium channels","Opioid receptors"}

> <pathway_reactome>
{"Transport of small molecules","Developmental Biology","Gene expression (Transcription)","Ion channel transport","Nervous system development","RNA Polymerase II Transcription","Stimuli-sensing channe
ls","Axon guidance","Generic Transcription Pathway","TRP channels","NCAM signaling for neurite out-growth","Transcriptional Regulation by MECP2","NCAM1 interactions","MECP2 regulates neuronal receptor
s and channels"}

> <broad_targets>
{OPRK1,TRPA1,TRPM8,TRPV3}

> <broad_moa>
{}

> <synonyms>
{ENTHOL(,l-Menthol,lMenthol,(-)-menthol,()menthol,2216-51-5,2216515,Levomenthol,l-(-)-Menthol,l()Menthol,Menthacamphor,Menthomenthol,"Peppermint camphor","(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol",
"(1R,2S,5R)2Isopropyl5methylcyclohexanol","U.S.P. Menthol",Levomentholum,"(1r,2s,5r)-(-)-menthol","(1r,2s,5r)()menthol","Menthol racemic",Hexahydrothymol,T1407,T2979,1503134,L-Menthol,DL-Menthol,MENTH
OL(-)}

> <pdid>
PD001064

> <targets>
{Endogenous Metabolite,TRP Channel}

> <classes>
{analgesic (topical),antipruritic agent,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{16666}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  1  0  0  0
    1.3092    5.2494    0.0000 C   0  0  2  0  0  0
    0.0127    6.0039    0.0000 O   0  0
    2.6108    5.9949    0.0000 C   0  0  1  0  0  0
    2.6160    7.4949    0.0000 O   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2088    5.9860    0.0000 O   0  0
    3.9020    3.7405    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0  2  0  0  0
    2.5984    1.4941    0.0000 C   0  0
    3.8959    0.7415    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  6
  7  6  1  1
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  1  0
 15  7  1  0
 15 16  1  6
 16 17  1  0
  5 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  1  6
 20 22  1  0
 22  3  1  0
 22 23  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11368

> <plate>
PLATE 006

> <well>
B8

> <supplier_cmpd_name>
Maltose

> <ctcr_id>
6640

> <supplier_cmpd_id>
T0584

> <smiles>
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{alpha-Cellobiose,alphaCellobiose,"CELLOBIOSE (D(+))",alpha-D-cellobiose,alphaDcellobiose,4-O-beta-D-glucopyranosyl-alpha-D-glucopyranose,4ObetaDglucopyranosylalphaDglucopyranose,CHEBI:28676,cellobios
e,beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose,betaDglucopyranosyl(1>4)alphaDglucopyranose,CBK,CELLBIOSE,Spectrum_001154,Spectrum001154,Spectrum-001154,"Spectrum 001154",SpecPlus_000444,SpecPlus
000444,SpecPlus-000444,"SpecPlus 000444",Spectrum2_0,Spectrum20,Spectrum2-0,"Spectrum2 0",T5086,T0586,T1715,T2880,T0584L,T0584,1502231,"D-Lactose monohydrate",Lactose,Chitosan,D-Cellobiose,"D-(+)-Malt
ose monohydrate",Maltose}

> <pdid>
PD158816

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{441014}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  9  0  0  0  0            999 V2000
    6.5000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000   -1.5000    0.0000 O   0  0
    7.7992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  3  8  1  0
  2  9  1  0
  1 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11369

> <plate>
PLATE 006

> <well>
B9

> <supplier_cmpd_name>
Xylitol

> <ctcr_id>
7522

> <supplier_cmpd_id>
T0589

> <smiles>
C(C(C(C(CO)O)O)O)O

> <pd_targets>
{L3MBTL1,LMNA,RORC}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein",Reader,"Methyl-lysine/arginine binding protein","MBT domain","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear h
ormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","RNA Polymerase II Transcription",Mitotic,"Generic Transcription Pathway","M Phase","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase
","Regulation of TP53 Activity","Mitotic Anaphase","Regulation of TP53 Activity through Methylation","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation","Transcription
al regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{}

> <broad_moa>
{"mucolytic agent"}

> <synonyms>
{xylitol,ribitol,adonitol,87-99-0,87990,Xylite,488-81-3,488813,D-Xylitol,DXylitol,Adonite,Adonit,D-ribitol,Dribitol,Eutrit,Klinit,Xyliton,Xylit,"Xylite (sugar)",Kannit,Newtol,"1,2,3,4,5-pentanepentol"
,"1,2,3,4,5pentanepentol",Xylisorb,L-ribitol,Lribitol,"(2R,3R,4S)-Pentane-1,2,3,4,5-pentaol","(2R,3R,4S)Pentane1,2,3,4,5pentaol",(2R,3S,4S)-Pentane,4S)Pentane,S2612,Ribitol}

> <pdid>
PD000463

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{6912}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    4.2566    0.5871    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.6120   -3.9767    0.0000 O   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    6.4451   -1.8434    0.0000 C   0  0
    4.8089   -4.6669    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  3 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13  2  1  0
 13 14  1  0
 12 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11370

> <plate>
PLATE 006

> <well>
B10

> <supplier_cmpd_name>
4-Hydroxyantipyrine

> <ctcr_id>
807

> <supplier_cmpd_id>
T2225

> <smiles>
CN1N(c2ccccc2)C(=O)C(=C1C)O

> <pd_targets>
{ALDH1A1,TGR,FFP,ALOX15}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,Transferase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover",Lipoxygenases}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Metabolism of lipids","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Ethanol oxidation","Biosynthesis of D
PA-derived SPMs","Biosynthesis of DPAn-3 SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{RESTW3,4-Hydroxyantipyrine,4Hydroxyantipyrine,1672-63-5,1672635,"Antipyrine, 4-hydroxy","Antipyrine, 4hydroxy","4-hydroxy-1,5-dimethyl-2-phenylpyrazol-3-one","4hydroxy1,5dimethyl2phenylpyrazol3one","
4-Hydroxy-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","4Hydroxy1,5dimethyl2phenyl1Hpyrazol3(2H)one",UNII-DPZ41NV570,UNIIDPZ41NV570,DPZ41NV570,"4-hydroxy-1,5-dimethyl-2-phenyl-3-pyrazolone","4hydroxy1,
5dimethyl2phenyl3pyrazolone",4-Hydroxyphena,4Hydroxyphena,T2225,Prestw-30}

> <pdid>
PD000691

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{98889}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000    3.0008    0.0000 S   0  0
   -1.2993    3.7504    0.0000 N   0  0
    1.2985    3.7517    0.0000 O   0  0
   -0.0007    4.5008    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  2  0
 10  3  1  0
 10 11  1  0
  5 12  1  0
 12 13  1  0
 12 14  2  0
 12 15  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11371

> <plate>
PLATE 006

> <well>
B11

> <supplier_cmpd_name>
Sulfanilamide

> <ctcr_id>
1592

> <supplier_cmpd_id>
T0123

> <smiles>
COc1cc(c(OC)cc1N)[S](N)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{54179101,"54179 10 1","4-amino-2,5-dimethoxybenzenesulfonamide","4amino2,5dimethoxybenzenesulfonamide","4 amino 2,5 dimethoxybenzenesulfonamide","4-amino-2,5-dimethoxybenzene-1-sulfonamide","4amino2,
5dimethoxybenzene1sulfonamide","4 amino 2,5 dimethoxybenzene 1 sulfonamide","4-Amino-2,5-dimethoxybenzenesulphonamide","4Amino2,5dimethoxybenzenesulphonamide","4 Amino 2,5 dimethoxybenzenesulphonamide
","2,5-dimethoxysulfanilamide","2,5dimethoxysulfanilamide","2,5 dimethoxysulfanilamide",MLS000736889,NSC89723,"EINECS 259-016-3","EINECS 2590163","EINECS 259 016 3",SCHEMBL8777777,Sulfanilamide,2,"NSC
 89723"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{96827}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    5.0987    0.0000    0.0000 O   0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12  8  2  0
 12 13  1  0
 13  3  1  0
 13 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11372

> <plate>
PLATE 006

> <well>
C2

> <supplier_cmpd_name>
Theophylline monohydrate

> <ctcr_id>
1174

> <supplier_cmpd_id>
T1083L

> <smiles>
O.CN1C(=O)N(C)c2nc[nH]c2C1=O

> <pd_targets>
{LEF,RORC,MAPT,CYP1A2,LMNA,ADORA3,ADORA1,PDE1A,PDE1B,PDE3B,ADORA2A,ADORA2B,HIF1A,ALPL,PIK3CD,PDE4A,PDE4B,PDE4C,PDE4D,P2RY2,FFP,TMIGD3,PDE3A,HDAC2,PDE5A,BLM}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other cytosolic protein","Other nuclear protein","Membrane receptor","Unclassified protein","Epigenetic regulator",Protease,"Nuclear receptor","Cytochrome P450","Family
 A G protein-coupled receptor",Phosphodiesterase,Phosphatase,Transferase,Eraser,"Metallo protease","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","Small molecule receptor (family A 
GPCR)","Phosphodiesterase 1","Phosphodiesterase 3","Phosphodiesterase 4","Histone deacetylase","Phosphodiesterase 5","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Cytochr
ome P450 family 1A","Nucleotide-like receptor (family A GPCR)","Phosphodiesterase 1A","Phosphodiesterase 1B","Phosphodiesterase 3B","Phosphodiesterase 4A","Phosphodiesterase 3A","HDAC class I","Phosph
odiesterase 4B","Phosphodiesterase 5A","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1","Adenosine receptor","Purine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","G protein-coupled receptors","Cyclic nucleotide turnover/signalling","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","1F. Retinoi
c acid-related orphans","CYP1 family","Adenosine receptors",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Lipid modifying kinases","P2Y receptors","3.5.1.- Histone deacetylases (HDACs)",Phospha
tidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Neuronal System",Metabolism,"Cell Cycle","Signal Transduction","Cellular responses to external stimuli","Metabolism of proteins","Immune System",Hemostasis,
"DNA Repair","Infectious disease","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Biological oxidations",Mitotic,"Signaling by GPCR","Intracellular signaling by second messe
ngers","Cellular responses to stress","Post-translational protein modification","Cytokine Signaling in Immune system","Platelet homeostasis","DNA Double-Strand Break Repair","Uptake and actions of bac
terial toxins","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","M Phase","GPCR ligand binding","Leishmania 
infection","DAG and IP3 signaling","Cellular response to hypoxia","Post-translational modification: synthesis of GPI-anchored proteins","Signaling by Interleukins","GPCR downstream signalling","Nitric
 oxide stimulates guanylate cyclase","Homology Directed Repair","Uptake and function of anthrax toxins","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Cy
tochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","CaM pathway","Oxygen-dependent proline hy
droxylation of Hypoxia-inducible Factor Alpha",Interleukin-3,"Interleukin-5 and GM-CSF signaling","G alpha (s) signalling events","G alpha (i) signalling events","Transcriptional Regulation by TP53","
cGMP effects","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events",Xenobiotics,"Mit
otic Anaphase","Nucleotide-like (purinergic) receptors","Anti-inflammatory response favouring Leishmania parasite infection","Calmodulin induced events","Interleukin receptor SHC signaling","Opioid Si
gnalling","Regulation of TP53 Activity","HDR through Homologous Recombination (HRR)","Activation of AMPK downstream of NMDARs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nucle
ar Envelope (NE) Reassembly","Adenosine P1 receptors","ADORA2B mediated anti-inflammatory cytokines production","Cam-PDE 1 activation","P2Y receptors","DARPP-32 events","Regulation of TP53 Activity th
rough Acetylation","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ADORA1,ADORA2A,ADORA2B,ADORA3,HDAC2,PDE3A,PDE3B,PDE4A,PDE4B,PDE4C,PDE4D,PDE5A}

> <broad_moa>
{"adenosine receptor antagonist"}

> <synonyms>
{"Theophylline monohydrate",5967-84-0,5967840,"1,3-Dimethylxanthine monohydrate","1,3Dimethylxanthine monohydrate",Aquaphyllin,Elixomin,Theolixir,Theophyl,Dimethylxanthine,"Elixophyllin SR",Theophylli
ne-SR,TheophyllineSR,Somophyllin-CRT,SomophyllinCRT,"Aerolate SR",Theolair-SR,TheolairSR,Theophyl-SR,TheophylSR,Uni-Dur,UniDur,The,T1083L,T1083,Prestw-873,Theophylline}

> <pdid>
PD001734

> <targets>
{Adenosine Receptor,Autophagy,Endogenous Metabolite,Phosphodiesterase (PDE)}

> <classes>
{Autophagy,GPCR/G Protein,Metabolic Enzyme/Protease}

> <pubchem_cids>
{91268}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 21  0  0  0  0            999 V2000
   11.4915   -2.2564    0.0000 H   0  3
    8.9915   -2.2564    0.0000 Cl  0  5
   -2.6041   -2.9866    0.0000 C   0  0
   -1.3074   -3.7406    0.0000 N   0  0
   -1.3125   -5.2406    0.0000 C   0  0
   -0.0048   -2.9950    0.0000 C   0  0
    1.2926   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5030    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8934   -3.7569    0.0000 C   0  0
    5.1961   -3.0132    0.0000 C   0  0
    6.4915   -3.7695    0.0000 C   0  0
    6.4843   -5.2694    0.0000 C   0  0
    5.1817   -6.0132    0.0000 C   0  0
    3.8862   -5.2570    0.0000 N   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  8 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11373

> <plate>
PLATE 006

> <well>
C3

> <supplier_cmpd_name>
Chloropyramine hydrochloride

> <ctcr_id>
5654

> <supplier_cmpd_id>
T0263

> <smiles>
[H+].[Cl-].CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2

> <pd_targets>
{CYP2C19,CYP2D6,CYP1A2,TSHR,KDM4E,FFP,PTK2,HRH1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Cytochrome P450","Family A G protein-coupled receptor",Eraser,Transferase,Kinase,"Cytochrome P450 family 2","Cytochrome P450 family 1","Peptide rece
ptor (family A GPCR)","Lysine demethylase","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Glycohormone 
receptor","Jumonji domain-containing","TK protein kinase group","Monoamine receptor","Cytochrome P450 2C19","Cytochrome P450 2D6","Cytochrome P450 1A1","Tyrosine protein kinase Fak family","Histamine 
receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Chromatin modifying enzymes","Catalytic receptors","CYP2 family: drug metabolising subset","CYP1 family","Glycoprotein hormone recep
tors","1.14.11.- Histone demethylases","Receptor kinases","Histamine receptors","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Fak family"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Biological oxidations","Infectious disease","Signaling by GPCR","Phase I - Functionalization of compounds","Leishmania infection","GPCR ligand binding","Cyto
chrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Parasite infection","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Anti-inflammatory response favouring Leishm
ania parasite infection","Leishmania phagocytosis","Amine ligand-binding receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflamm
atory cytokines production","FCGR3A-mediated phagocytosis","Histamine receptors"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{"Chlorpyramin hydrochlorid (German)","Chlorpyramine HCl","Chlorpyramin hydrochlorid","N-p-Chlorobenzyl-N',N'-dimethyl-N-2-pyridylethylenediamine hydrochloride","NpChlorobenzylN',N'dimethylN2pyridylet
hylenediamine hydrochloride",N-p-Chlorbenzyl-N-alpha-pyridyl-N',NpChlorbenzylNalphapyridylN',N'-dimethyl-aethylendiamin-h,N'dimethylaethylendiaminh,T0263,Prestw-807,"Chloropyramine hydrochloride"}

> <pdid>
PD009208

> <targets>
{FAK,Histamine Receptor,VEGFR}

> <classes>
{GPCR/G Protein,Immunology/Inflammation,Neuronal Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{25294,74764194,80311}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  1  0            999 V2000
    5.7779   -1.2889    0.0000 Br  0  0
   -1.8948    4.3802    0.0000 C   0  0
   -2.9996    3.3656    0.0000 N   0  3
   -4.4042    3.8919    0.0000 O   0  5
   -2.9996    0.5981    0.0000 C   0  0  2  0  0  0
   -1.7408    0.1428    0.0000 C   0  0
   -0.5981    0.5356    0.0000 C   0  0  2  0  0  0
   -1.1338    1.6158    0.0000 C   0  0
   -2.4550    2.0265    0.0000 C   0  0  1  0  0  0
   -3.8209    1.2230    0.0000 C   0  0  2  0  0  0
   -5.2493    0.8035    0.0000 O   0  0
   -4.1780   -0.1875    0.0000 C   0  0  2  0  0  0
    0.6818   -0.2150    0.0000 O   0  0
    0.6742   -1.7158    0.0000 C   0  0
   -0.6289   -2.4587    0.0000 O   0  0
    1.9696   -2.4736    0.0000 C   0  0  2  0  0  0
    3.2719   -1.7276    0.0000 C   0  0
    3.2779   -0.2276    0.0000 O   0  0
    1.9619   -3.9744    0.0000 C   0  0
    3.2555   -4.7338    0.0000 C   0  0
    3.2448   -6.2338    0.0000 C   0  0
    1.9404   -6.9745    0.0000 C   0  0
    0.6468   -6.2152    0.0000 C   0  0
    0.6575   -4.7152    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  9  8  1  1
  9  3  1  0
  9 10  1  0
 10 11  1  1
 12 11  1  1
 12  5  1  0
 12 10  1  0
  7 13  1  6
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  6
 17 18  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  CHG  2   3   1   4  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11374

> <plate>
PLATE 006

> <well>
C4

> <supplier_cmpd_name>
Scopolamine N-oxide HBr

> <ctcr_id>
3062

> <supplier_cmpd_id>
T2181

> <smiles>
Br.C[N+]1([O-])[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{RESTW23,"Scopolamin-N-oxide hydrobromide","ScopolaminNoxide hydrobromide","Scopolamine aminoxide hydrobromide","Scopolamine N-oxide hydrobromide","Scopolamine Noxide hydrobromide","AMINOXYSCOPOLAMINE
 HYDROBROMIDE",6106-81-6,6106816,UNII-7E0GR5N4K8,UNII7E0GR5N4K8,"Scopolamine, N-oxide, hydrobromide","Scopolamine, Noxide, hydrobromide","Hyoscine N-oxide hydrobromide","Hyoscine Noxide hydrobromide",
DSSTox_CI,DSSToxCI,DSSTox-CI,"DSSTox CI",T2181,Prestw-232,"Scopolamine N-oxide HBr"}

> <pdid>
PD013243

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6419978}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 39  0  0  1  0            999 V2000
   -6.4717  -14.5676    0.0000 C   0  0
   -6.0099  -13.1405    0.0000 C   0  0
   -4.5425  -12.8257    0.0000 N   0  0
   -3.5342  -13.9374    0.0000 C   0  0
   -2.0679  -13.6212    0.0000 C   0  0
   -4.0804  -11.3978    0.0000 C   0  0
   -2.6130  -11.0830    0.0000 C   0  0
   -2.1509   -9.6551    0.0000 N   0  0
   -0.6835   -9.3403    0.0000 C   0  0
    0.3219  -10.4535    0.0000 O   0  0
   -0.2222   -7.9149    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    2.4192   -8.3243    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
    8.9536   -4.6590    0.0000 O   0  0
    8.9536   -6.1590    0.0000 C   0  0  1  0  0  0
    7.6536   -6.9090    0.0000 C   0  0
    6.3536   -6.1590    0.0000 C   0  0
    6.3536   -4.6590    0.0000 O   0  0
    5.0543   -6.9086    0.0000 O   0  0
   10.2536   -6.9090    0.0000 C   0  0
   10.2536   -8.4090    0.0000 O   0  0
   11.5529   -6.1594    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 17  1  0
 27 21  1  0
 15 28  2  0
 28 11  1  0
 28 29  1  0
 31 30  1  6
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 31 36  1  0
 36 37  1  0
 36 38  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11375

> <plate>
PLATE 006

> <well>
C5

> <supplier_cmpd_name>
Sunitinib

> <ctcr_id>
7456

> <supplier_cmpd_id>
T0374L

> <smiles>
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C.O[C@@H](CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sunitinib malate",341031-54-7,341031547,Sutent,"SU011248 L-malate salt","SU011248 Lmalate salt",PHA-290940AD,PHA290940AD,UNII-LVX8N1UT73,UNIILVX8N1UT73,SU010398,"SU 011248",SU-11248,SU11248,LVX8N1UT
73,"SU-011248 L-malate salt",SU011248,MFCD08282795,SU-010398,"SU 11248","Sunitinib malate (USAN)","PDGF TK antagonist",S1042,sunitinib,"Sunitinib Malate"}

> <pdid>

> <targets>
{VEGFR-PDGFR,c-Kit,Flt,VEGFR,PDGFR}

> <classes>
{}

> <pubchem_cids>
{6456015}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 49  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.9019   -5.2406    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1894   -6.0109    0.0000 N   0  0
   -5.1894   -7.5110    0.0000 C   0  0
   -6.4884   -8.2610    0.0000 C   0  0
   -7.7875   -7.5110    0.0000 N   0  0
   -7.7875   -6.0110    0.0000 C   0  0
   -6.4885   -5.2610    0.0000 C   0  0
   -9.0882   -8.2597    0.0000 C   0  0
  -10.3867   -7.5071    0.0000 C   0  0
  -10.3874   -6.0071    0.0000 C   0  0
  -11.6867   -5.2576    0.0000 C   0  0
  -12.9855   -6.0081    0.0000 C   0  0
  -12.9849   -7.5081    0.0000 C   0  0
  -11.6855   -8.2576    0.0000 C   0  0
   -9.0897   -9.7605    0.0000 C   0  0
   -7.7930  -10.5146    0.0000 C   0  0
   -7.7975  -12.0145    0.0000 C   0  0
   -9.0988  -12.7606    0.0000 C   0  0
  -10.3956  -12.0066    0.0000 C   0  0
  -10.3910  -10.5067    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11  5  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
 29 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 32 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 39  1  0
  9 45  1  0
M  CHG  2  18   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11376

> <plate>
PLATE 006

> <well>
C6

> <supplier_cmpd_name>
Manidipine dihydrochloride

> <ctcr_id>
6604

> <supplier_cmpd_id>
T0193

> <smiles>
COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OCCN3CCN(CC3)C(c4ccccc4)c5ccccc5)C

> <pd_targets>
{RORC,ABCB1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNA1A,CACNB1,CACNB2,CACNB3,CACNB4,CACNA1G,CACNA1H,CACNA1I}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transporter,"Ion channel","Nuclear receptor",Protease,"Primary active transporter","Voltage-gated ion channel","Nuclear hormone receptor subfamily 1","Cysteine protease"
,"ATP-binding cassette","Voltage-gated calcium channel","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member
 3","Cysteine protease C1A family"}

> <pathway_chembl>
{Receptors,Transporters,"Nuclear hormone receptors","ATP-binding cassette transporter family","1F. Retinoic acid-related orphans","ABCB subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Abacavir transport and metabolism","Generic Transcription Pathway","Abacavir transmembrane transport","Transcriptional 
regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{CACNA1C,CACNA1D}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{manidipine,89226-50-6,89226506,120092-68-4,120092684,"Manidipine 6300",Artedil,Iperten,"Manidipine (INN)","Manidipine (Manyper)",C35H38N4O6,Franidipine,"CV 4093",CHEMBL312176,MFCD00871291,SMR00350079
3,NCGC00167493-01,NCGC0016749301,NCGC00167493-04,NCGC0016749304,"Manidipine 6300 (INN)",Arted,T0193,T6577,S2481,"Manidipine dihydrochloride",Manidipine}

> <pdid>
PD001137

> <targets>
{"Calcium Channel"}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{4008}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 17  0  0  0  0            999 V2000
    7.6894   -3.0057    0.0000 Cl  0  0
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5886   -6.0033    0.0000 C   0  0
    1.2919   -5.2492    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 11  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11377

> <plate>
PLATE 006

> <well>
C7

> <supplier_cmpd_name>
Lidocaine Hydrochloride hydrate

> <ctcr_id>
2126

> <supplier_cmpd_id>
T1144L

> <smiles>
Cl.CCN(CC)CC(=O)Nc1c(C)cccc1C

> <pd_targets>
{SCN2A,AMPC,SCN1A,SCN3A,MAPK1,SCN9A,SCN5A,MAPT,LMNA,CHRM1,SCN4A,SCN10A,ALDH1A1,CYP3A4,GAA,BLM,SCN11A,SCN7A,SCN8A,EGFR}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other cytosolic protein","Other nuclear protein","Membrane receptor","Voltage-gated ion channel",Hydrolase,Kinase,"Family A G protein-coupled receptor",Oxidoreductase,"Cytochrom
e P450","Voltage-gated sodium channel","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","CMGC protein kinase group","Monoamine receptor","Cytochrome P450 family 3A
","TK protein kinase group","CMGC protein kinase MAPK family","Acetylcholine receptor","Cytochrome P450 3A4","Tyrosine protein kinase EGFR family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Voltage-gated ion channels","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cytochrome P450","3.2.1.- Glycosidases","Catalytic receptors","Voltage-gated sodium
 channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors (muscarinic)","CYP3 family","Receptor kinases","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinas
e","ERK subfamily","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Immune System","Neuronal System","Cell Cycle","Signal Transduction",Metabolism,Disease,"DNA Repair","Nervous system development","Innate Immune System","Transmission across C
hemical Synapses",Mitotic,"Signaling by GPCR","Biological oxidations","Metabolism of lipids","Diseases of metabolism","DNA Double-Strand Break Repair","Axon guidance","Toll-like Receptor Cascades","Ne
urotransmitter receptors and postsynaptic signal transmission","M Phase","GPCR ligand binding","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","D
iseases of carbohydrate metabolism","Homology Directed Repair","GPCR downstream signalling","L1CAM interactions","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic ev
ents","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Glycogen storage diseases","HDR through Homologous Recombination (
HRR) or Single Strand Annealing (SSA)","G alpha (q) signalling events","Interaction between L1 and Ankyrins","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","Mitoti
c Anaphase","Amine ligand-binding receptors","Biosynthesis of maresins","Glycogen storage disease type II (GAA)","HDR through Homologous Recombination (HRR)","Gastrin-CREB signalling pathway via PKC a
nd MAPK","MAP kinase activation","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","Homologous DNA P
airing and Strand Exchange","EGFR Transactivation by Gastrin","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous 
DNA pairing and strand exchange","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{EGFR,SCN10A,SCN5A,SCN9A}

> <broad_moa>
{"histamine receptor agonist"}

> <synonyms>
{Lidocaton,LIDOPEN,"Lidocaine hydrochloride anhydrous",CHEBI:50512,"2-Diethylamino-2',6'-acetoxylidide hydrochloride","2Diethylamino2',6'acetoxylidide hydrochloride","alpha-Diethylamino-2,6-acetoxylid
ine hydrochloride","alphaDiethylamino2,6acetoxylidine hydrochloride","Alphacaine N","Alphacaine SP",omega-Diethylamino-2,omegaDiethylamino2,6-dime,6dime,T1144L,T1144,1500689,Prestw-50,"Lidocaine Hydro
chloride hydrate","Lidocaine hydrochloride","LIDOCAINE HYDROCHLORIDE"}

> <pdid>
PD003120

> <targets>
{}

> <classes>
{"anesthetic (local)",antiarrhythmic}

> <pubchem_cids>
{49852294,6314,657223}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  1  0            999 V2000
    5.0973    0.3740    0.0000 Na  0  3
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1979    1.4986    0.0000 C   0  0  2  0  0  0
   -6.4957    0.7465    0.0000 C   0  0
   -5.2009    2.9995    0.0000 C   0  0
   -3.9031    3.7516    0.0000 O   0  5
   -6.5009    3.7477    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 13  4  1  0
  9 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 16 18  2  0
M  CHG  2   1   1  17  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11378

> <plate>
PLATE 006

> <well>
C8

> <supplier_cmpd_name>
Naproxen sodium

> <ctcr_id>
6454

> <supplier_cmpd_id>
T1582L

> <smiles>
[Na+].COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"naproxen sodium",26159-34-2,26159342,Anaprox,Naprelan,"Naproxen sodium salt","(-)-Naproxen sodium","()Naproxen sodium","Naproxen (sodium)",Naprium,Naprux,Proxen,Aleve,Apo-Napro-NA,ApoNaproNA,UNII-9T
N87S3A3C,UNII9TN87S3A3C,"sodium naproxen",BAYH6689,"sodium (S)-2-(6-methoxynaphthalen-2-yl)propano","sodium (S)2(6methoxynaphthalen2yl)propano",SAM001246874,CPD000058746}

> <pdid>

> <targets>
{Autophagy,COX}

> <classes>
{Autophagy,Immunology/Inflammation}

> <pubchem_cids>
{23681059}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0  1  0  0  0
   -5.1962   -1.5000    0.0000 C   0  0  1  0  0  0
   -6.4952   -0.7500    0.0000 O   0  0
   -5.1961   -3.0000    0.0000 C   0  0  2  0  0  0
   -6.4952   -3.7500    0.0000 O   0  0
   -3.8971   -3.7500    0.0000 C   0  0  1  0  0  0
   -3.9002   -5.2509    0.0000 C   0  0
   -5.2003   -5.9990    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  1  6
 17 18  1  0
 16 19  1  0
 20 19  1  1
 20 11  1  0
 20 21  1  0
 21  7  1  0
 21 22  2  0
 22  3  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11379

> <plate>
PLATE 006

> <well>
C9

> <supplier_cmpd_name>
Bengenin

> <ctcr_id>
1582

> <supplier_cmpd_id>
T0122

> <smiles>
COc1c(O)cc2C(=O)O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3c2c1O

> <pd_targets>
{IL6,TNF}

> <pathway_gtopdb>
{"Secreted protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Immune System","Infectious disease","Cytokine Signaling in Immune system","Leishmania infection","Signaling by Interleukins","Leishmania parasite growth and survival","Interleukin-10 signali
ng","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{IL1B,TNF}

> <broad_moa>
{"interleukin inhibitor"}

> <synonyms>
{Spectrum_001129,Spectrum001129,Spectrum-001129,"Spectrum 001129",SpecPlus_000565,SpecPlus000565,SpecPlus-000565,"SpecPlus 000565",Spectrum2_000600,Spectrum2000600,Spectrum2-000600,"Spectrum2 000600",
Spectrum3_000623,Spectrum3000623,Spectrum3-000623,"Spectrum3 000623",Spectrum4_001880,Spectrum4001880,Spectrum4-001880,"Spectrum4 001880",Spectrum5_000480,Spectrum5000480,Spectrum5-000480,"Spectrum5 0
00480",BSPBio_002186,BSPBio002186,BSPBio-002186,"BSPBio 002186",KBioGR_002383,KBioGR002383,KBioGR-002383,"KBioGR 002383",KBioSS_001609,KBioSS001609,KBioSS-001609,"KBioSS 001609",DivK1c_006661,DivK1c00
6661,DivK1c-006661,"DivK1c 006661",SPECTRUM1500819,SPBio_000480,SPBio000480,SPBio-000480,"SPBio 000480",SCHEMBL17131822,CHEBI:95241,KBio1_001605,KBio1001605,KBio1-001605,"KBio1 001605",KBio2_001609,KB
io2001609,KBio2-001609,"KBio2 001609",KBio2_0,KBio20,KBio2-0,"KBio2 0",T0122,1500819,Bengenin,BERGENIN}

> <pdid>
PD001569

> <targets>
{Apoptosis,Autophagy,Bacterial,Fungal,Virus Protease}

> <classes>
{Anti-infection,Apoptosis,Autophagy}

> <pubchem_cids>
{6708706}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -0.0031    7.5008    0.0000 O   0  0
   -1.3040    8.2494    0.0000 C   0  0
   -2.6017    7.4971    0.0000 O   0  0
   -1.3070    9.7502    0.0000 C   0  0
   -2.6072   10.4984    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
   -0.7338   -4.0650    0.0000 O   0  0
   -2.1972   -3.7322    0.0000 C   0  0
   -2.6400   -2.2990    0.0000 O   0  0
   -3.2179   -4.8325    0.0000 C   0  0
   -4.6805   -4.4998    0.0000 C   0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  2  7  1  1
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  4  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
  3 17  1  6
 17 18  1  0
 18 19  1  0
 19  1  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
  1 22  1  6
 20 23  1  6
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 19 28  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11380

> <plate>
PLATE 006

> <well>
C10

> <supplier_cmpd_name>
17-Beta-Estradiol-3,17-Dipropionate

> <ctcr_id>
10988

> <supplier_cmpd_id>
T2231

> <smiles>
[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)OC(=O)CC)CC[C@@]1([C@H](CC2)OC(=O)CC)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"7 BETA ESTRADIOL",CHEBI:31560,"estradiol dipropionate",113-38-2,113382,"113 38 2",Diovocyclin,Diovocylin,Diprostron,Estroici,Estronex,Nacyclyl,"Follicyclin P",Ovocyclin-P,OvocyclinP,"Ovocyclin P",Pr
ogynon-DP,ProgynonDP,"Progynon DP","Dimenformon dipropionate","Ovocyclin dipropionate","Oestradiol dipropionate",Endofolli,T2231,"17-Beta-Estradiol-3,17-Dipropionate"}

> <pdid>
PD001131

> <targets>
{ER,Estrogen Receptor/ERR,Progesterone Receptor}

> <classes>
{Endocrinology/Hormones,Others}

> <pubchem_cids>
{8225}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
   -3.7146   -4.8930    0.0000 C   0  0
   -2.5902   -3.9002    0.0000 C   0  0
   -1.1671   -4.3770    0.0000 C   0  0
   -0.0420   -3.3837    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
    1.8372   -5.2877    0.0000 N   0  0
    3.3372   -5.2929    0.0000 C   0  0
    4.2146   -6.5095    0.0000 Cl  0  0
    3.8056   -3.8679    0.0000 C   0  0
    5.2276   -3.3960    0.0000 C   0  0
    5.5311   -1.9271    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3027    3.7529    0.0000 C   0  0
    0.0506    3.1362    0.0000 N   0  0
    1.0508    4.2541    0.0000 N   0  0
    0.2966    5.5507    0.0000 N   0  0
   -1.1696    5.2342    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12  5  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11381

> <plate>
PLATE 006

> <well>
C11

> <supplier_cmpd_name>
Losartan

> <ctcr_id>
493

> <supplier_cmpd_id>
T0215L

> <smiles>
CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4

> <pd_targets>
{CYP3A4,PDE4A,PDE4B,PDE4C,PDE4D,ADRA1A,ADRA1B,ADRA1D,AGTR1B,AGTR1,AGTR2,AMPC,PDE3A,PDE3B,ACE,ALD,GP6,AGTR1A,ABCB11,ABCC4,SLCO1B3,SLCO1B1,CYP2C9}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Adhesion,Transporter,"Cytochrome P450",Phosphodiesterase,"Family A G protein-coupled receptor",Hydrolase,Protease,"Primary active transporter","Electrochemical transporter"
,"Cytochrome P450 family 3","Phosphodiesterase 4","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Phosphodiesterase 3","Metallo protease","ATP-binding cassette","Cysteine
 protease","SLC superfamily of solute carriers","Cytochrome P450 family 2","Cytochrome P450 family 3A","Phosphodiesterase 4A","Monoamine receptor","Short peptide receptor (family A GPCR)","Phosphodies
terase 3A","Metallo protease MAE clan","ABCB subfamily","Cysteine protease CA clan","ABCC subfamily","SLC21/SLCO family of organic anion transporting polypeptides","Cytochrome P450 family 2C","Cytochr
ome P450 3A4","Adrenergic receptor","Angiotensin receptor","Metallo protease M2 family","Cysteine protease C1A family","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","G protein-coupled receptors","Peptidases and proteinases","ATP-binding cassette transporter family","SLC superfamily of solute carriers","CYP3 family
","Angiotensin receptors","MA: Metallo (M) Peptidases","ABCB subfamily","ABCC subfamily","SLCO family of organic anion transporting polypeptides","CYP2 family: drug metabolising subset","M2: Angiotens
in-converting  (ACE and ACE2)"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Signal Transduction",Hemostasis,"Metabolism of lipids","Peptide hormone metabolism","Signaling by GPCR","Platelet activation","signaling and aggregation","Biologi
cal oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of Angiotensinogen to Angiotensins","GPCR ligand binding","GPVI-mediated activation cascade","Metabolism of ster
oids","Response to elevated platelet cytosolic Ca2+","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metab
olism","Platelet degranulation","Cytochrome P450 - arranged by substrate type","Biosynthesis of maresins","Peptide ligand-binding receptors","Synthesis of bile acids and bile salts","Recycling of bile
 acids and salts",Xenobiotics,"Biosynthesis of maresin-like SPMs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{114798-26-4,114798264,"DUP 89",Lortaan,Cozaar,"LOSARTAN POTASSIUM",Hyzaar,UNII-JMS50MPO89,UNIIJMS50MPO89,CHEBI:6541,MK-954,MK954,JMS50MPO89,DTXSID7023227,"DuP 753",MFCD00865831,NCGC00095125-01,NCGC00
09512501,"Losartan (INN:BAN)",DSSTox_CID_3227,DSSToxCID3227,DSSTox-CID-3227,"DSSTox CID 3227",DSSTox_RID_76933,DSSToxRID76933,DSSTox-RID-76933,"DSSTox RID 76933",DSSTox_GSID_23227,DSSToxGSID23227,DSST
ox-GSID-23227,"DSSTox GSID 23227",C22,1504268,Prestw-1433,LOSARTAN,Losartan}

> <pdid>
PD001204

> <targets>
{}

> <classes>
{antihypertensive,"AT1 angiotensin II antagonist"}

> <pubchem_cids>
{3961}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7508    0.0000 C   0  0
    3.8995    0.7492    0.0000 O   0  0
    5.1988   -1.5012    0.0000 C   0  0
    6.4994   -0.7539    0.0000 C   0  0
    7.7969   -1.5066    0.0000 C   0  0
    7.7939   -3.0066    0.0000 C   0  0
    6.4933   -3.7539    0.0000 N   0  0
    5.1958   -3.0013    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  2 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11382

> <plate>
PLATE 006

> <well>
D2

> <supplier_cmpd_name>
Metyrapone

> <ctcr_id>
5078

> <supplier_cmpd_id>
T0293

> <smiles>
CC(C)(c1cccnc1)C(=O)c2cccnc2

> <pd_targets>
{CYP11B1,CYP3A4,CYP11B2,LMNA,CYP1A2,CAMC}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Cytochrome P450","Cytochrome P450 family 11","Cytochrome P450 family 3","Cytochrome P450 family 1","Cytochrome P450 CAM family","Cytochrome P450 family 11B","Cytochrom
e P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 11B1","Cytochrome P450 3A4","Cytochrome P450 11B2","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","CYP3 family","CYP1 family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Biological oxidations","Metabolism of lipids",Mitotic,"Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Cytoch
rome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Endogenous sterols","Biosynthesis of maresins","Mitotic Anaphase",Xenobiotics,"Biosynthesis
 of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CYP11B1}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{54-36-4,54364,"2-Methyl-1,2-di-3-pyridyl-1-propanone","2Methyl1,2di3pyridyl1propanone",Metopirone,Methopyrapone,Metopiron,Methapyrapone,Methopirapone,Methopyrinine,Methopyrone,Metyrapon,Methbipyranon
e,Metopyrone,Mepyrapone,Metroprione,Metapirone,Metapyron,Metirapona,Met,T0293,SAM002297829,Prestw-904,Metyrapone,CPD000059134}

> <pdid>
PD000227

> <targets>
{Autophagy,Cytochrome P450}

> <classes>
{Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{4174}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.4470    5.2297    0.0000 S   0  0
   -2.9153    5.5365    0.0000 C   0  0
   -3.6607    4.2349    0.0000 C   0  0
   -2.6532    3.1236    0.0000 N   0  0
   -3.5322    6.9018    0.0000 C   0  0
   -2.6569    8.1199    0.0000 O   0  0
   -5.0256    7.0513    0.0000 N   0  0
   -5.6437    8.4190    0.0000 C   0  0
   -7.1360    8.5706    0.0000 C   0  0
   -8.0134    7.3540    0.0000 C   0  0
   -7.7509    9.9388    0.0000 C   0  0
   -6.8735   11.1554    0.0000 C   0  0
   -5.3812   11.0039    0.0000 C   0  0
   -4.7663    9.6357    0.0000 C   0  0
   -3.2739    9.4842    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 N   0  0
   -6.4915   -3.7597    0.0000 C   0  0
   -6.4870   -5.2605    0.0000 C   0  0
   -7.7833   -6.0153    0.0000 O   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  2  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
  4 22  2  0
 22 23  1  0
 23 24  2  0
 24  2  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 28 32  1  0
 32 33  1  0
 33 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11383

> <plate>
PLATE 006

> <well>
D3

> <supplier_cmpd_name>
Dasatinib monohydrate

> <ctcr_id>
6468

> <supplier_cmpd_id>
T1448L

> <smiles>
Cc1nc(Nc2sc(cn2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4

> <pd_targets>
{EPHB6,ERBB4,LCK,SRC,ABL1,BCR,BTK,EPHA2,CSK,CSNK1E,EPHB1,EPHB4,TUBA1A,RAF1,RET,RIPK2,PDGFRA,MAP4K3,BLK,MAP4K4,BMX,MAP4K2,TESK1,EPHA1,EGFR,ERBB2,FGFR1,KIT,TYK2,BMPR1B,PLK4,LIMK1,LIMK2,MAP2K1,SIK2,ACVR2
A,GAK,DDR2,IRAK4,ACVRL1,COQ8A,TAOK2,TAOK3,CDPK1,DYRK3,MAPK14,MAP4K1,PDGFRB,SLK,HTR2A,BRAF,FGR,FGFR2,NLK,FLT3,KCNH2,NORA,EPHB3,WEE2,JAK2,STK4,STK10,DDR1,STK36,EPHA8,FLT1,SBK1,TNIK,TXK,EPHB2,MINK1,MAPK1
1,ACVR1B,ACVR1,MAP4K5,TEC,DMPK,REP,KDR,FRK,WEE1,MAP3K20,TGFBR1,PTK6,SIK3,YES1,MAP3K19,MAP3K7,NEK11,MAPK12,MAPK13,HCK,JAK3,CDC42BPA,AURKA,FGFR3,MAP3K3,CYP3A4,STK26,ABL2,SIK1,SRMS,SYK,EIF2AK4,MAP3K13,PI
K3CA,PKMYT1,CSF1R,EPHA4,STK25,LYN,MAP2K2,CDC42BPB,TGFBR2,CDC42BPG,ACVR2B,EPHA6,MAP2K5,TNK2,PIK3CD,MTOR,MAP3K4,ULK3,ERBB3,MYLK2,FYN,TNNI3K,TAOK1,EPHA5,NEK2,AXL,VRK2,HTT,AURKB,EPHA3,PKN2,FES,STK35,MAP3K
10,BMPR1A,MAP3K2,ITK,ABCB11,MYT1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,ABCC4,SCN5A,STAT5B}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Structural protein","Membrane receptor","Ion channel",Transporter,"Transcription factor",Kinase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Cytoc
hrome P450",Transferase,"Primary active transporter","Protein Kinase","Small molecule receptor (family A GPCR)","Potassium channels","Cytochrome P450 family 3","ATP-binding cassette","Voltage-gated ca
lcium channel","Voltage-gated sodium channel","TK protein kinase group","Atypical protein kinase group","CK1 protein kinase group","TKL protein kinase group","STE protein kinase group","Other protein 
kinase group","CAMK protein kinase group","CMGC protein kinase group","Monoamine receptor","Voltage-gated potassium channel","AGC protein kinase group","Cytochrome P450 family 3A","ABCB subfamily","AB
CC subfamily","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Atypical protein kinase BCR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Tec family",
"Tyrosine protein kinase Eph family","Tyrosine protein kinase Csk family","CK1 protein kinase CK1 family","TKL protein kinase RAF family","Tyrosine protein kinase Ret family","TKL protein kinase RIPK 
family","Tyrosine protein kinase PDGFR family","STE protein kinase STE20 family","TKL protein kinase LISK family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase JakA family","TKL prote
in kinase STKR family","Other protein kinase PLK family","STE protein kinase STE7 family","CAMK protein kinase CAMK1 family","Other protein kinase NAK family","Tyrosine protein kinase DDR family","TKL
 protein kinase IRAK family","CMGC protein kinase DYRK family","CMGC protein kinase MAPK family","Serotonin receptor","Other protein kinase WEE family","Other protein kinase ULK family","Tyrosine prot
ein kinase VEGFR family","Other protein kinase NKF1 family","AGC protein kinase DMPK family","TKL protein kinase MLK family","STE protein kinase STE11 family","Other protein kinase NEK family","Other 
protein kinase AUR family","Cytochrome P450 3A4","Tyrosine protein kinase Syk family","Other protein kinase PEK family","Tyrosine protein kinase Ack family","Atypical protein kinase PIKK family","CAMK
 protein kinase MLCK family","Tyrosine protein kinase Axl family","AGC protein kinase PKN family","Tyrosine protein kinase Fer family","Other protein kinase NKF4 family","STE protein kinase KHS subfam
ily","STE protein kinase MSN subfamily","TKL protein kinase TESK subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase QIK subfamily","TKL prot
ein kinase STKR Type 2 subfamily","STE protein kinase TAO subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase p38 subfamily","STE protein kinase SLK subfamily","CMGC protein kinase n
mo subfamily","Other protein kinase WEE1","STE protein kinase MST subfamily","TKL protein kinase STKR1","AGC protein kinase GEK subfamily","TKL protein kinase MLK subfamily","TKL protein kinase TAK1 s
ubfamily","Other protein kinase Nek11","STE protein kinase MEKK2","STE protein kinase YSK subfamily","Tyrosine protein kinase Srm","Other protein kinase GCN2 subfamily","TKL protein kinase LZK subfami
ly","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA","TKL protein kinase HH498 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Ion channels",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)",Tubulins,"G protein-coupled receptors","Voltage-gated ion channels","Anti-infective 
targets","Cytochrome P450","ATP-binding cassette transporter family","Receptor kinases","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmo
dulin-dependent protein kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors","Potassium channels","AGC: Containing PKA",PKG,"PKC families","Viral protein t
argets","CYP3 family","Lipid modifying kinases","ABCB subfamily","ABCC subfamily","Voltage-gated sodium channels","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","TKL: Tyrosine kinase-like","STE2
0 family","Other protein kinases","STE7 family","CAMK-like (CAMKL) family","ABC1 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Mitogen-activated protein kinas
es (MAP kinases)","Voltage-gated potassium channels","DMPK family","Coronavirus (CoV) proteins","STE11 family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-
related kinases (PIKK) family","Myosin Light Chain Kinase (MLCK) family","Vaccina related kinase (VRK) family","Protein kinase N (PKN) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine
 kinases (nRTKs)","RAF family","Receptor interacting protein kinase (RIPK) family","KHS subfamily","MSN subfamily","LIM domain kinase (LISK) family","Receptor serine/threonine kinase (RSTK) family","P
olo-like kinase (PLK) family","QIK subfamily","Numb-associated kinase (NAK) family","Interleukin-1 receptor-associated kinase (IRAK) family","ABC1-B subfamily","TAO subfamily","Dyrk2 subfamily","p38 s
ubfamily","SLK subfamily","nmo subfamily","WEE family","MST subfamily","Unc-51-like kinase (ULK) family","NKF1 family","GEK subfamily","Mixed Lineage Kinase (MLK) family","STE20 subfamily","NIMA (neve
r in mitosis gene a)- related kinase (NEK) family","Aurora kinase (Aur) family","YSK subfamily","PEK family","FRAP subfamily","NKF4 family","Type XIII RTKs: Ephrin receptor family","Type I RTKs: ErbB 
(epidermal growth factor) receptor family","Src family","Abl family","Tec family","Csk family","Type XIV RTKs: RET","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","TESK subfamily","Type V RTKs
: FGF (fibroblast growth factor) receptor family","Janus kinase (JakA) family","Type I receptor serine/threonine kinases","LIMK subfamily","Type II receptor serine/threonine kinases","Type XVI RTKs: D
DR (collagen receptor) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","MLK subfamily","TAK1 subfamily","Syk family","GCN2 subfamily","LZK subfamily","Ack family","HH
498 subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Fer family"}

> <pathway_reactome>
{"Developmental Biology","Neuronal System",Disease,"Signal Transduction","Cell Cycle","Immune System","Gene expression (Transcription)","Cellular responses to external stimuli",Metabolism,"Cell-Cell c
ommunication","Vesicle-mediated transport","Extracellular matrix organization","Muscle contraction","Programmed Cell Death","Circadian Clock",Hemostasis,"Nervous system development","Transmission acro
ss Chemical Synapses","Infectious disease","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"MAPK family signaling ca
scades","Innate Immune System","RNA Polymerase II Transcription","Cellular responses to stress","Metabolism of lipids","Cell junction organization","Signaling by GPCR","Cytokine Signaling in Immune sy
stem","Signaling by TGFB family members","Signaling by NODAL","Membrane Trafficking","Non-integrin membrane-ECM interactions","Intracellular signaling by second messengers","Signaling by WNT","Cardiac
 conduction","Signaling by Hippo","Cell Cycle Checkpoints",Apoptosis,"Signaling by Non-Receptor Tyrosine Kinases","Signaling by Hedgehog","Signaling by Rho GTPases","Adaptive Immune System","Platelet 
activation","signaling and aggregation","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","HIV Infection","Signaling by NTRKs","Leishmania infection","Oncogenic MAPK si
gnaling","Mitotic G2-G2/M phases","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","Signaling by PDGFR in disease","Generic Transcription Pathway","Cellular Senescence","Phospholipid metabolism",
"Cell-extracellular matrix interactions","GPCR downstream signalling","Signaling by FGFR in disease","Signaling by KIT in disease","Interferon Signaling","Signaling by BMP","Regulation of signaling by
 NODAL","trans-Golgi Network Vesicle Budding","PIP3 activates AKT signaling","GPCR ligand binding","Beta-catenin independent WNT signaling","Signaling by Insulin receptor","Phase 3 - rapid repolarisat
ion","Mitotic G1 phase and G1/S transition","Neutrophil degranulation","Signaling by VEGF","Fc epsilon receptor (FCERI) signaling","Signaling by Interleukins","Ion homeostasis","SARS-CoV Infections","
G2/M Checkpoints","Signaling by TGF-beta Receptor Complex in Cancer","Biosynthesis of specialized proresolving mediators (SPMs)","Apoptotic execution phase","Signaling by PTK6","Response of EIF2AK4 (G
CN2) to amino acid deficiency","Hedgehog 'on' state","M Phase","Regulation of mitotic cell cycle","RHO GTPase Effectors","TCR signaling","Metabolism of steroids","Response to elevated platelet cytosol
ic Ca2+","EPH-Ephrin signaling","Activation of NMDA receptors and postsynaptic events","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Parasite infection","Signaling by RAS mutants","G
2/M Transition","RAF/MAP kinase cascade","RET signaling","Toll Like Receptor 5 (TLR5) Cascade","Drug resistance of PDGFR mutants","Transcriptional regulation by RUNX1","Oxidative Stress Induced Senesc
ence","PI Metabolism","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","G alpha (q) signalling events","Semaphorin interactions","Signaling by FGFR1 in disease","Dr
ug resistance of KIT mutants","Interferon alpha/beta signaling","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 2 (TLR2) Cascade","Negative regulation of the PI3K/AKT network","Class A/1 (Rh
odopsin-like receptors)","Leishmania parasite growth and survival","Signaling by FGFR2 in disease","Ca2+ pathway","Insulin receptor signalling cascade","G1 Phase","VEGF ligand-receptor interactions","
FCERI mediated Ca+2 mobilization",Interleukin-3,"Interleukin-5 and GM-CSF signaling","SARS-CoV-1 Infection","VEGFA-VEGFR2 Pathway","PTEN Regulation","G2/M DNA damage checkpoint","Loss of Function of S
MAD2/3 in Cancer","Toll Like Receptor 4 (TLR4) Cascade","Interleukin-2 family signaling","Transcriptional Regulation by TP53","Signaling by FGFR3 in disease","Interleukin-1 family signaling","Biosynth
esis of DHA-derived SPMs","Apoptotic cleavage of cellular proteins","Signaling by ROBO receptors","PTK6 Down-Regulation","Transcriptional Regulation by VENTX","Mitotic Metaphase and Anaphase","APC/C-m
ediated degradation of cell cycle proteins","Transcriptional Regulation by MECP2","RHO GTPases activate PKNs","Generation of second messenger molecules","Bile acid and bile salt metabolism","Platelet 
degranulation","L1CAM interactions","EPHB-mediated forward signaling","Post NMDA receptor activation events","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","Leish
mania phagocytosis","EPHA-mediated growth cone collapse","Signaling downstream of RAS mutants","Centrosome maturation","Negative regulation of MAPK pathway","MyD88 cascade initiated on plasma membrane
","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Synthesis of PIPs at the plasma membrane","Gastrin-CREB signalling pathway via PKC and MAPK","S
ema4D in semaphorin signaling","FGFR1 mutant receptor activation","Dasatinib-resistant KIT mutants","Regulation of IFNA signaling","Toll Like Receptor TLR6:TLR2 Cascade",PI5P,"PP2A and IER3 Regulate P
I3K/AKT Signaling","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","FGFR2 mutant receptor activation","IRS-mediated signalling","Cyclin D associat
ed events in G1","VEGF binds to VEGFR leading to receptor dimerization","SARS-CoV-1 Genome Replication and Transcription","VEGFR2 mediated cell proliferation","Regulation of PTEN stability and activit
y","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","SMAD2/3 Phosphorylation Motif Mutants in Cancer","MyD88-independent TLR4 cascade","Interleukin-15 signaling","Regulation of TP53 Ac
tivity","Signaling by FGFR3 point mutants in cancer","Interleukin-1 signaling","Biosynthesis of maresins","Role of ABL in ROBO-SLIT signaling","Cyclin A/B1/B2 associated events during G2/M transition"
,"Signalling to ERK5","Interleukin receptor SHC signaling","Mitotic Anaphase","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of MECP2 expression and activit
y","CRMPs in Sema3A signaling","Synthesis of bile acids and bile salts","Interaction between L1 and Ankyrins","Long-term potentiation","Nef-mediates down modulation of cell surface receptors by recrui
ting them to clathrin adapters","Signalling to RAS","FCGR3A-mediated phagocytosis","Loss of proteins required for interphase microtubule organization from the centrosome","Negative feedback regulation
 of MAPK pathway","MAP kinase activation","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Signaling by activated point mutants of FGFR1","Prolonged ERK acti
vation events","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Serotonin receptors","FCGR3A-mediated IL10 synthesis","Activated point mutants of FGFR2","PI3K Cascade","Replication of the SARS
-CoV-1 genome","TRIF(TICAM1)-mediated TLR4 signaling","Nef and signal transduction","Regulation of TP53 Activity through Phosphorylation","FGFR3 mutant receptor activation","Biosynthesis of maresin-li
ke SPMs","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Separation of Sister Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Nuclear
 Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nef Mediated CD4 Down-regulation","p38MAPK events","Loss of Nlp from mitotic centrosomes","activated 
TAK1 mediates p38 MAPK activation","Frs2-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","TRAF6-mediated induction of TAK1 complex within TLR4 co
mplex","Signaling by activated point mutants of FGFR3","Regulation of TP53 Degradation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Initi
ation of Nuclear Envelope (NE) Reformation","Activation of the AP-1 family of transcription factors","APC-Cdc20 mediated degradation of Nek2A"}

> <broad_targets>
{ABL1,ABL2,BLK,EPHA2,FGR,FRK,FYN,HCK,KIT,LCK,LYN,PDGFRB,SRC,SRMS,STAT5B,YES1}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","ephrin inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","SRC inhibitor","tyrosine kinase inhibitor"}

> <synonyms>
{Dasatinib,302962-49-8,302962498,Sprycel,BMS-354825,BMS354825,"BMS 354825","Dasatinib anhydrous","Dasatinib (anhydrous)","Dasatinib (BMS-354825)","Dasatinib (BMS354825)","anh. dasatinib",UNII-X78UG0A0
RN,UNIIX78UG0A0RN,"anhydrous dasatinib","dasatinib (anh.)",CHEMBL1421,X78UG0A0RN,CHEBI:49375,NSC732,T1448,T1448L,732517,S1021,"NSC 732517","Dasatinib monohydrate",dasatinib,DASATINIB}

> <pdid>
PD003446

> <targets>
{Abl/Src,c-Kit,Bcr-Abl,Src-bcr-Abl,SRC,Src,ABL,PDGFR,Apoptosis,Autophagy}

> <classes>
{BCR/ABL/Src inhibitor,Angiogenesis,Apoptosis,Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{3062316}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
   12.5852   -0.0431    0.0000 H   0  3
   10.0852   -0.0431    0.0000 Cl  0  5
    7.5844   -1.4920    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  2  3
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 10  1  0
 24 19  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11384

> <plate>
PLATE 006

> <well>
D4

> <supplier_cmpd_name>
Cyproheptadine hydrochloride

> <ctcr_id>
1615

> <supplier_cmpd_id>
T0174

> <smiles>
[H+].[Cl-].CN1CCC(CC1)=C2c3ccccc3C=Cc4ccccc24

> <pd_targets>
{HTR1A,HTR1B,HTR1D,HTR1F,HTR2A,HTR2B,HTR2C,HTR3A,HTR3B,HTR4,HTR5A,HTR5B,HTR6,HTR7,CYP2C19,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,HRH4,SLC6A2,SETD7,ADRA1A,HRH1,TSHR,ALDH1A1,TP53,CYP2D6,DRD2,DRD3,SCN1A,SCN2A,SCN
3A,FFP,LEF,ADRA1B,SLC6A4,HTT,ADRA1D,DRD1,DRD4,DRD5,CYP1A2,HSD17B10,PMP22,RORC,LMNA,MAPT,KMT2A,MEN1,ADRA2B,HRH2,KCNH2,ADRA2C,CACNA1C,ADRA2A,MTOR}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,Transporter,"Epigenetic regulator","Transcription factor","Ion channel","Unclassified protein","Other nuclear protein","Other cytosolic protein","Family A G protein-coupled
 receptor","Cytochrome P450","Electrochemical transporter",Writer,Oxidoreductase,"Voltage-gated ion channel",Transferase,Protease,"Ligand-gated ion channel","Nuclear receptor",Reader,Kinase,"Small mol
ecule receptor (family A GPCR)","Cytochrome P450 family 2","SLC superfamily of solute carriers","Protein methyltransferase","Peptide receptor (family A GPCR)","Voltage-gated sodium channel","Metallo p
rotease","5HT3 receptor","Cytochrome P450 family 1","Nuclear hormone receptor subfamily 1",Bromodomain,"Potassium channels","Voltage-gated calcium channel","Protein Kinase","Monoamine receptor","Cytoc
hrome P450 family 2C","SLC06 neurotransmitter transporter family","SET domain","Glycohormone receptor","Cytochrome P450 family 2D","Metallo protease MAE clan","Cytochrome P450 family 1A","Nuclear horm
one receptor subfamily 1 group F","Voltage-gated potassium channel","Atypical protein kinase group","Serotonin receptor","Cytochrome P450 2C19","Acetylcholine receptor","Histamine receptor","Adrenergi
c receptor","Cytochrome P450 2D6","Dopamine receptor","Metallo protease M34 family","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family",
"Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Chromatin modifying enzymes","Ligand-gated ion channels","Nuclear h
ormone receptors","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","CYP2 family: drug metabolising subset","5-Hydroxytryptamine receptors","Histamine receptors","SLC6 neurotransmitter transporter f
amily","2.1.1.43 Histone methyltransferases (HMTs)",Adrenoceptors,"Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","Dopamine receptors","5-HT<sub>3</sub> receptors","CYP1 family
","1F. Retinoic acid-related orphans","Potassium channels","Voltage-gated calcium channels",Atypical,"Monoamine transporter subfamily","Voltage-gated potassium channels","Phosphatidyl inositol 3' kina
se-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Chromatin organization","Cell Cycle","Neuronal System","Gene expression (Transcription)","Developmental Biology","Muscle contraction","Biological oxidations"
,"Infectious disease","Signaling by GPCR","Disorders of transmembrane transporters","Chromatin modifying enzymes","Cell Cycle Checkpoints","Transmission across Chemical Synapses","RNA Polymerase II Tr
anscription","Metabolism of amino acids and derivatives","Nervous system development",Mitotic,"Cardiac conduction","Phase I - Functionalization of compounds","Leishmania infection","GPCR ligand bindin
g","SLC transporter disorders","PKMTs methylate histone lysines","G1/S DNA Damage Checkpoints","Uptake and actions of bacterial toxins","Neurotransmitter clearance","Neurotransmitter receptors and pos
tsynaptic signal transmission","Generic Transcription Pathway","Branched-chain amino acid catabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Phase 3 - rapid repola
risation","Axon guidance","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intoleran
ce (OI)","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Uptake and function of anthrax toxins","Serotonin clearance from the synaptic cleft","Transcriptional Regulation by MECP2","Tra
nscriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","NCAM signaling for neurite out-growth","Transcriptional Regulation by TP53",X
enobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response","Regulation of MECP2 expression and activity","R
UNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Post NMDA receptor activation events","NCAM1 interactions","Regulation of TP53 Activity","CYP2E1 reactions","ADORA2B mediated ant
i-inflammatory cytokines production","Serotonin receptors","Histamine receptors",Adrenoceptors,"Muscarinic acetylcholine receptors","Stabilization of p53","Dopamine receptors","Aromatic amines can be 
N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiqu
itin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,CHRM1,CHRM2,CHRM3,HRH1,HTR2A,HTR2C,HTR6,HTR7}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{RESTW10,"RESTW 10",AKOS024366257,MCULE-4137922083,MCULE4137922083,"MCULE 4137922083",ST50999681,"4-dibenzo(b,f)(7)annulen-5-ylidene-1-methylpiperidine, chloride","4dibenzo(b,f)(7)annulen5ylidene1meth
ylpiperidine, chloride","4 dibenzo(b",f)(7)ann,S2044,SAM001246883,1505973,Prestw-103,"Cyproheptadine HCl",CPD000058431,"CYPROHEPTADINE HYDROCHLORIDE","Cyproheptadine hydrochloride"}

> <pdid>
PD010029

> <targets>
{"Histamine Receptor"}

> <classes>
{antipruritic,H1-antihistamine,"Neuronal Signaling"}

> <pubchem_cids>
{43834424,657241,13770}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 15  0  0  0  0            999 V2000
   13.9990    0.0000    0.0000 O   0  0
   11.4990    0.0000    0.0000 O   0  0
    8.9990    0.0000    0.0000 Cl  0  0
    5.2029   -2.9932    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4983   -0.7414    0.0000 N   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 10  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11385

> <plate>
PLATE 006

> <well>
D5

> <supplier_cmpd_name>
Amiloride hydrochloride dihydrate

> <ctcr_id>
1929

> <supplier_cmpd_id>
T0175L

> <smiles>
O.O.Cl.NC(=N)NC(=O)c1nc(Cl)c(N)nc1N

> <pd_targets>
{SLC9A3,CYP1A2,KDM4E,GAA,LMNA,HSD17B10,ALDH1A1,TDP1,HPGD,GLA,RORC,PLAU,THRB,SLC9A5,ASIC2,ADORA1,AOC3,SLC9A1,SLC9A2,SCNN1A,CYP2D6,CYP2C19,PRSS1,TSHR,ASIC3,PRKD1,PLK1,SCN5A,ASIC1,BLM,HTT,DYRK1A,MAOA,SLC
22A1,ADORA2A,SLC22A2,SCNN1B,SCNN1G,TRPC7,TRPV2,PKD2L1,TRPA1,TRPC6,SCNN1D,AOC1}

> <pathway_gtopdb>
{Transporter,Enzyme,"Epigenetic regulator","Other nuclear protein","Transcription factor","Ion channel","Membrane receptor","Unclassified protein","Electrochemical transporter","Cytochrome P450",Erase
r,Hydrolase,Protease,Oxidoreductase,"Nuclear receptor","Ligand-gated ion channel","Family A G protein-coupled receptor",Kinase,"Voltage-gated ion channel","SLC superfamily of solute carriers","Cytochr
ome P450 family 1","Lysine demethylase","Serine protease","Nuclear hormone receptor subfamily 1","Acid-sensing ion channel","Small molecule receptor (family A GPCR)","Epithelial sodium channel","Cytoc
hrome P450 family 2","Peptide receptor (family A GPCR)","Protein Kinase","Voltage-gated sodium channel","Transient receptor potential channel","SLC09 family of sodium/hydrogen exchangers","Cytochrome 
P450 family 1A","Jumonji domain-containing","Serine protease PA clan","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group A","Nucleotide-like receptor (family A 
GPCR)","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Glycohormone receptor","CAMK protein kinase group","Other protein kinase group","CMGC protein kinase group","SLC22 family of organic cat
ion and anion transporters","Cytochrome P450 1A1","Serine protease S1A subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group A member 2","Adeno
sine receptor","Cytochrome P450 2D6","Cytochrome P450 2C19","CAMK protein kinase PKD family","Other protein kinase PLK family","CMGC protein kinase DYRK family","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Transporters,Enzymes,Receptors,"Ion channels","SLC superfamily of solute carriers","Cytochrome P450","Chromatin modifying enzymes","3.2.1.- Glycosidases","Eicosanoid turnover","Nuclear hormone recept
ors","Peptidases and proteinases","Ligand-gated ion channels","G protein-coupled receptors","1.-.-.- Oxidoreductases","Kinases (EC 2.7.x.x)","Catalytic receptors","Voltage-gated ion channels","Catecho
lamine turnover","SLC9 family of sodium/hydrogen exchangers","CYP1 family","1.14.11.- Histone demethylases","Prostaglandin synthases","1F. Retinoic acid-related orphans","PA: Serine (S) Peptidases","1
A. Thyroid hormone receptors","Acid-sensing (proton-gated) ion channels (ASICs)","Adenosine receptors","Epithelial sodium channel (ENaC)","CYP2 family: drug metabolising subset","Glycoprotein hormone 
receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","Voltage-gated sodium channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC22 family of organic cation and a
nion transporters","Transient Receptor Potential channels","S1: Chymotrypsin","Protein kinase D (PKD) family","Other protein kinases","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (D
YRK) family","Organic cation transporters (OCT)","Polo-like kinase (PLK) family","Dyrk1 subfamily"}

> <pathway_reactome>
{"Transport of small molecules",Metabolism,Disease,"Cell Cycle","DNA Repair","Gene expression (Transcription)","Immune System","Metabolism of proteins","Signal Transduction","Developmental Biology","S
LC-mediated transmembrane transport","Biological oxidations","Diseases of metabolism",Mitotic,"Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Metabolism of lipids","RNA P
olymerase II Transcription","Innate Immune System","Post-translational protein modification","Ion channel transport","Signaling by GPCR","Metabolism of carbohydrates","Metabolism of vitamins and cofac
tors","Infectious disease","Nervous system development","Transport of inorganic cations/anions and amino acids/oligopeptides","Phase I - Functionalization of compounds","Diseases of carbohydrate metab
olism","M Phase","Branched-chain amino acid catabolism","Nonhomologous End-Joining (NHEJ)","Biosynthesis of specialized proresolving mediators (SPMs)","Sphingolipid metabolism","Generic Transcription 
Pathway","Neutrophil degranulation",SUMOylation,"Stimuli-sensing channels","GPCR ligand binding","Glycosaminoglycan metabolism","Metabolism of water-soluble vitamins and cofactors","Leishmania infecti
on","Mitotic G2-G2/M phases","Axon guidance","Homology Directed Repair","Mitotic G1 phase and G1/S transition","Transport of bile salts and organic acids","metal ions and amine compounds","Sodium/Prot
on exchangers","Cytochrome P450 - arranged by substrate type","Glycogen storage diseases","Mitotic Metaphase and Anaphase","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Glycosphingolipid met
abolism","Transcriptional regulation by RUNX3","SUMO E3 ligases SUMOylate target proteins","Class A/1 (Rhodopsin-like receptors)","Hyaluronan metabolism","Cobalamin (Cbl","vitamin B12) transport and m
etabolism","Leishmania parasite growth and survival","Sphingolipid de novo biosynthesis","G2/M Transition","L1CAM interactions","HDR through Homologous Recombination (HRR) or Single Strand Annealing (
SSA)","Transcriptional Regulation by MECP2","G0 and Early G1","Amine Oxidase reactions","Organic cation/anion/zwitterion transport","Netrin-1 signaling","TRP channels",Xenobiotics,"Glycogen storage di
sease type II (GAA)","Mitotic Anaphase","Biosynthesis of D-series resolvins","RUNX3 Regulates Immune Response and Cell Migration","SUMOylation of intracellular receptors","Nucleotide-like (purinergic)
 receptors","Hyaluronan uptake and degradation","Anti-inflammatory response favouring Leishmania parasite infection","Centrosome maturation","Interaction between L1 and Ankyrins","HDR through Homologo
us Recombination (HRR)","Regulation of MECP2 expression and activity","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Organic cation transport","Role of second messengers i
n netrin-1 signaling","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Adenosine P1 receptors","CYP2E1 reactions","ADORA2B mediated anti-inflammat
ory cytokines production","Loss of proteins required for interphase microtubule organization from the centrosome","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Refo
rmation","Loss of Nlp from mitotic centrosomes","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{AOC1,ASIC1,ASIC2,ASIC3,PKD2,PKD2L1,PLAU,SCNN1A,SCNN1B,SCNN1D,SCNN1G,SLC9A1,TRPC7,TRPV2}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{RESTW,"Amiloride hydrochloride dihydrate",17440-83-4,17440834,"Amiloride HCl dihydrate",Modamide,"Amilorid hydrochlorid-2-wasser","Amilorid hydrochlorid2wasser","Amiloride hydrochloride (USAN:USP)",U
NII-FZJ37245UC,UNIIFZJ37245UC,CHEBI:2640,FZJ37245UC,N-Amidino-3,NAmidino3,"5-diamino-6-chloropyrazinecarboxamide hydro","5diamino6chloropyrazinecarboxamide hydro",T0175,T0175L,Prestw-7,"Amiloride hydr
ochloride"}

> <pdid>
PD009902

> <targets>
{Apoptosis,Sodium Channel,TRP Channel}

> <classes>
{Apoptosis,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{68540,24906311}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.1996    1.4928    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  8 13  1  0
 13 14  2  0
 14  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11386

> <plate>
PLATE 006

> <well>
D6

> <supplier_cmpd_name>
Actarit

> <ctcr_id>
410

> <supplier_cmpd_id>
T0310

> <smiles>
CC(=O)Nc1ccc(CC(O)=O)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"interleukin receptor agonist"}

> <synonyms>
{actarit,18699-02-0,18699020,"2-(4-acetamidophenyl)acetic acid","2(4acetamidophenyl)acetic acid","Benzeneacetic acid, 4-(acetylamino)-","Benzeneacetic acid, 4(acetylamino)","4-Acetylaminophenylacetic 
acid","4Acetylaminophenylacetic acid","4-Acetamidophenylacetic acid","4Acetamidophenylacetic acid","(4-(acetylamino)phenyl)acetic acid","(4(acetylamino)phenyl)acetic acid",UNII-HW5B6351RZ,UNIIHW5B6351
RZ,MS-932,MS932,HW5B6351RZ,4-Acetylamino,4Acetylamino,T0310,SAM001246647,Actarit,CPD000466341}

> <pdid>
PD001128

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2018}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  1  0            999 V2000
    6.1800   -0.5178    0.0000 Br  0  0
   -2.8159   -4.7248    0.0000 C   0  0
   -3.6016   -3.4471    0.0000 O   0  0
   -2.8900   -2.1300    0.0000 C   0  0
   -3.6900   -0.8600    0.0000 C   0  0
   -2.9600    0.3900    0.0000 C   0  0
   -1.4800    0.3900    0.0000 C   0  0
   -0.7800    1.6800    0.0000 C   0  0
    0.6500    1.7000    0.0000 C   0  0
    1.4200    0.4600    0.0000 C   0  0
    2.9000    0.5000    0.0000 C   0  0
    3.6800   -0.7900    0.0000 C   0  0
    2.9700   -2.0400    0.0000 C   0  0
    1.4800   -2.0400    0.0000 C   0  0
    0.7000   -0.8000    0.0000 C   0  0  1  0  0  0
   -0.1200    0.2700    0.0000 C   0  0
   -0.1900    2.9600    0.0000 C   0  0
    1.3400    2.9600    0.0000 N   0  0
    2.6455    3.6988    0.0000 C   0  0
   -0.6700   -0.8400    0.0000 C   0  0
   -1.4200   -2.1000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 15 16  1  1
 16 17  1  0
 17 18  1  0
 18  9  1  0
 18 19  1  0
 15 20  1  0
 20  7  1  0
 20 21  2  0
 21  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11387

> <plate>
PLATE 006

> <well>
D7

> <supplier_cmpd_name>
Dextromethorphan HBr monohydrate

> <ctcr_id>
2831

> <supplier_cmpd_id>
T0262

> <smiles>
Br.COc1ccc2CC3C4CCCC[C@]4(CCN3C)c2c1

> <pd_targets>
{TSHR,CHRM1,CYP2D26,CYP2D6,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,SIGMAR1,SCN1A,SCN2A,SCN3A,CYP2D3,LMNA,CHRNA3,CHRNB4,SLC22A1,SLC6A4,TAS2R46,CHRNA2,PGRMC1,CHRNA4,CHRNB2,CHRNA7,OPRM1,OPRD1,OPR
K1,CYBA,CYBB,NCF1,NCF2,NCF4,RAC1,RAC2,SLC6A2,PMP22}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Ion channel","Other nuclear protein",Transporter,"Unclassified protein","Family A G protein-coupled receptor","Cytochrome P450","Ligand-gated ion channel","Voltage-gated i
on channel","Electrochemical transporter","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Ionotropic glutamate receptor","Voltage-gated sodium 
channel","Nicotinic acetylcholine receptor","SLC superfamily of solute carriers","Glycohormone receptor","Monoamine receptor","Cytochrome P450 family 2D","NMDA receptor","Nicotinic acetylcholine recep
tor alpha subunit","SLC22 family of organic cation and anion transporters","SLC06 neurotransmitter transporter family","Nicotinic acetylcholine receptor beta subunit","Short peptide receptor (family A
 GPCR)","Acetylcholine receptor","Cytochrome P450 2D2","Cytochrome P450 2D6","Cytochrome P450 2D3","Opioid receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Ion channels",Transporters,"G protein-coupled receptors","Cytochrome P450","Sigma receptors","Ligand-gated ion channels","SLC superfamily of solute carriers
","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising subset","Ionotropic glutamate receptors","SLC22 family of organic cation and anion transporter
s","SLC6 neurotransmitter transporter family","Orphan and other 7TM receptors","Nicotinic acetylcholine receptors","Opioid receptors","Organic cation transporters (OCT)","Monoamine transporter subfami
ly","Taste 2 receptors"}

> <pathway_reactome>
{Disease,"Signal Transduction",Metabolism,"Neuronal System","Cell Cycle","Transport of small molecules","Immune System","Gene expression (Transcription)","Developmental Biology","Infectious disease","
Signaling by GPCR","Biological oxidations","Transmission across Chemical Synapses",Mitotic,"SLC-mediated transmembrane transport","Innate Immune System","RNA Polymerase II Transcription","Disorders of
 transmembrane transporters","Nervous system development","Leishmania infection","GPCR ligand binding","Phase I - Functionalization of compounds","SARS-CoV Infections","Neurotransmitter receptors and 
postsynaptic signal transmission","M Phase","Transport of bile salts and organic acids","metal ions and amine compounds","Neurotransmitter clearance","GPCR downstream signalling","Neutrophil degranula
tion","Generic Transcription Pathway","SLC transporter disorders","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like 
receptors)","Cytochrome P450 - arranged by substrate type","Potential therapeutics for SARS","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Organic cation/ani
on/zwitterion transport","Serotonin clearance from the synaptic cleft","G alpha (i) signalling events","Acetylcholine binding and downstream events","Transcriptional Regulation by MECP2","Defective SL
C6A2 causes orthostatic intolerance (OI)","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors",Xenobiotics,"Post NMDA receptor activation events","Mito
tic Anaphase","Organic cation transport","Postsynaptic nicotinic acetylcholine receptors","Assembly and cell surface presentation of NMDA receptors","Opioid Signalling","Peptide ligand-binding recepto
rs","MECP2 regulates neuronal receptors and channels","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors","CYP2E1 reactions","Long-term potentiation","Nuclea
r Envelope (NE) Reassembly","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","G-protein activation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CHRNA2,CHRNA3,CHRNA4,CHRNA7,CHRNB2,CHRNB4,CYBA,CYBB,GRIN3A,NCF1,NCF2,NCF4,OPRD1,OPRK1,OPRM1,PGRMC1,RAC1,RAC2,SIGMAR1,SLC6A2,SLC6A4}

> <broad_moa>
{"glutamate receptor antagonist","sigma receptor agonist"}

> <synonyms>
{SPECTRUM1500233,HMS1920E10,Pharmakon1600-01500233,Pharmakon160001500233,CCG-40203,CCG40203,NSC756723,NSC-756723,T0262,1500233,"Dextromethorphan HBr monohydrate","DEXTROMETHORPHAN HYDROBROMIDE"}

> <pdid>
PD009985

> <targets>
{}

> <classes>
{antitussive}

> <pubchem_cids>
{5702039}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 62 66  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   11.5957   -1.5000    0.0000 C   0  0
   10.2966   -0.7500    0.0000 C   0  0
   10.2966    0.7500    0.0000 C   0  0
    8.9976    1.5000    0.0000 C   0  0
    7.6985    0.7500    0.0000 C   0  0
    7.6985   -0.7500    0.0000 C   0  0
    8.9976   -1.5000    0.0000 C   0  0
    6.3988    1.5004    0.0000 S   0  0
    5.1000    0.7500    0.0000 O   0  0
    6.3978    3.0004    0.0000 O   0  0
    5.0994    2.2498    0.0000 O   0  0
   38.9032    2.6332    0.0000 C   0  0
   38.2885    1.2649    0.0000 S   0  0
   39.1665    0.0487    0.0000 O   0  0
   39.7808    1.4169    0.0000 O   0  0
   36.7953    1.1135    0.0000 C   0  0
   35.9168    2.3304    0.0000 C   0  0
   34.4237    2.1789    0.0000 N   0  0
   33.5452    3.3958    0.0000 C   0  0
   32.0546    3.2447    0.0000 C   0  0
   31.0526    4.3610    0.0000 O   0  0
   29.7002    3.7421    0.0000 C   0  0
   29.8358    2.2610    0.0000 C   0  0
   31.3025    1.9468    0.0000 C   0  0
   28.4006    4.4925    0.0000 C   0  0
   28.4005    5.9925    0.0000 C   0  0
   27.1015    6.7425    0.0000 C   0  0
   25.8025    5.9924    0.0000 C   0  0
   24.5034    6.7424    0.0000 N   0  0
   23.2044    5.9924    0.0000 C   0  0
   23.2044    4.4924    0.0000 N   0  0
   24.5034    3.7424    0.0000 C   0  0
   24.5004    2.2416    0.0000 N   0  0
   23.1995    1.4930    0.0000 C   0  0
   23.1943   -0.0070    0.0000 C   0  0
   21.8927   -0.7525    0.0000 C   0  0
   20.5962    0.0020    0.0000 C   0  0
   19.2954   -0.7466    0.0000 O   0  0
   19.2924   -2.2474    0.0000 C   0  0
   17.9916   -2.9960    0.0000 C   0  0
   17.9863   -4.4961    0.0000 C   0  0
   16.6847   -5.2416    0.0000 C   0  0
   15.3883   -4.4871    0.0000 C   0  0
   15.3934   -2.9872    0.0000 C   0  0
   14.0970   -2.2327    0.0000 F   0  0
   16.6950   -2.2416    0.0000 C   0  0
   20.6014    1.5020    0.0000 C   0  0
   19.3050    2.2565    0.0000 Cl  0  0
   21.9030    2.2475    0.0000 C   0  0
   25.8025    4.4924    0.0000 C   0  0
   27.1015    3.7424    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  8 10  2  0
  8 11  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 31  2  0
 33 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  1  0
 55 57  2  0
 57 51  1  0
 48 58  1  0
 58 59  1  0
 58 60  2  0
 60 45  1  0
 43 61  1  0
 61 39  1  0
 61 62  2  0
 62 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11388

> <plate>
PLATE 006

> <well>
D8

> <supplier_cmpd_name>
Lapatinib ditosylate monohydrate

> <ctcr_id>
2541

> <supplier_cmpd_id>
T0078L

> <smiles>
Cc1ccc(cc1)[S](O)(=O)=O.Cc2ccc(cc2)[S](O)(=O)=O.C[S](=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4

> <pd_targets>
{AURKB,RET,ERBB2,EGFR,ABL1,ABCB11,PDGFRB,ERBB3,KCNH2,CYP3A5,CDK2,INSR,PIK3C2B,TUBA1A,SLK,KMT2A,MEN1,PI4KB,MAP2K5,STK10,MAP2K7,RIPK2,CYP3A4,PIK3C2G,ERBB4}

> <pathway_gtopdb>
{Enzyme,Transporter,"Ion channel","Structural protein","Epigenetic regulator",Kinase,"Primary active transporter","Voltage-gated ion channel","Cytochrome P450",Transferase,Reader,"Protein Kinase","ATP
-binding cassette","Potassium channels","Cytochrome P450 family 3",Bromodomain,"Other protein kinase group","TK protein kinase group","ABCB subfamily","Voltage-gated potassium channel","Cytochrome P45
0 family 3A","CMGC protein kinase group","STE protein kinase group","TKL protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase EGFR fami
ly","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","Cytochrome P450 3A5","CMGC protein kinase CDK family","Tyrosine protein kinase InsR family","STE protein kinase STE20 f
amily","STE protein kinase STE7 family","TKL protein kinase RIPK family","Cytochrome P450 3A4","CMGC protein kinase CDC2 subfamily","STE protein kinase SLK subfamily"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"Other protein targets","Catalytic receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x
.x)",Tubulins,"Receptor kinases","ABCB subfamily","Potassium channels","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","STE: Homologs of yeast Sterile 7","Steri
le 11","Sterile 20 kinases","Other protein kinases","TK: Tyrosine kinase","Voltage-gated potassium channels","Cyclin-dependent kinase (CDK) family","Phosphatidylinositol-4-phosphate 3-kinase family","
STE20 family","1-phosphatidylinositol 4-kinase family","STE7 family","TKL: Tyrosine kinase-like","Aurora kinase (Aur) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)"
,"CDK1 subfamily","SLK subfamily","Receptor interacting protein kinase (RIPK) family","Type XIV RTKs: RET","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Type III RTKs: PD
GFR",CSFR,Kit,"FLT3 receptor family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology","Signal Transduction",Disease,Metabolism,"Muscle contraction","Gene expression (Transcription)","Immune System","Neuronal System",Mitotic,"Nervous system developm
ent","Signaling by GPCR","Infectious disease","Metabolism of lipids","Intracellular signaling by second messengers","Cardiac conduction","Biological oxidations","RNA Polymerase II Transcription","Sign
aling by Receptor Tyrosine Kinases","Innate Immune System","Transmission across Chemical Synapses","M Phase","Axon guidance","GPCR downstream signalling","Leishmania infection","Metabolism of steroids
","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation","Phase I - Functionalization of compounds","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G2-G2/M phases","Signali
ng by NTRKs","Neutrophil degranulation","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Mit
otic Metaphase and Anaphase","RET signaling","Semaphorin interactions","G alpha (q) signalling events","Parasite infection","Bile acid and bile salt metabolism","Negative regulation of the PI3K/AKT ne
twork","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by TP53","PI Metabolism","G2/M Transition","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Biosynth
esis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Mitotic Anaphase","Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phag
ocytosis","Synthesis of bile acids and bile salts",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Xenobiotics,"Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Centrosome mat
uration","Synthesis of PIPs at the Golgi membrane","Signalling to ERK5","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Post NMDA receptor activation events","Separation of Si
ster Chromatids","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","Synthesis of bile acids and bile salts via 7alpha-hydroxycho
lesterol","Regulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","Biosynthesis of maresin-like 
SPMs","Long-term potentiation","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","activated
 TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"Lapatinib Ditosylate",388082-77-7,388082777,Tykerb,Tyverb,"Lapatinib (GW-572016) Ditosylate","Lapatinib (GW572016) Ditosylate","Lapatinib (ditosylate)",388082-78-8,388082788,UNII-4WK72K94MC,UNII4WK7
2K94MC,4WK72K94MC,"388082-77-7 (ditosylate)","388082777 (ditosylate)","Lapatinib Ditosylate (Tykerb, Tyverb, GW-572016)","Lapatinib Ditosylate (Tykerb, Tyverb, GW572016)",Tyker,T6235,T0078L,S1028,"Lap
atinib ditosylate monohydrate",lapatinib}

> <pdid>
PD003505

> <targets>
{EGFR(HER),HER2,EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{9941095}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  1  0            999 V2000
    5.0987    2.2491    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0  1  0  0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
  9 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11389

> <plate>
PLATE 006

> <well>
D9

> <supplier_cmpd_name>
Cloperastine hydrochloride

> <ctcr_id>
10990

> <supplier_cmpd_id>
T0723

> <smiles>
Cl.Clc1ccc(cc1)[C@@H](OCCN1CCCCC1)c1ccccc1

> <pd_targets>
{CYP3A4,SLC22A1,HIF1A,CYP2D6,TSHR,CYP2C19,CYP1A2}

> <pathway_gtopdb>
{Enzyme,Transporter,"Transcription factor","Membrane receptor","Cytochrome P450","Electrochemical transporter","Family A G protein-coupled receptor","Cytochrome P450 family 3","SLC superfamily of solu
te carriers","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 1","Cytochrome P450 family 3A","SLC22 family of organic cation and anion transporters","Cytochrome P4
50 family 2D","Glycohormone receptor","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 3A4","Cytochrome P450 2D6","Cytochrome P450 2C19","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Cytochrome P450","SLC superfamily of solute carriers","G protein-coupled receptors","CYP3 family","SLC22 family of organic cation and anion transporters","CYP2 family:
 drug metabolising subset","Glycoprotein hormone receptors","CYP1 family","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Cellular responses to external stimuli",Disease,"Metabolism of lipids","SLC-mediated transmembrane transport","Cellular responses to stress","Biological oxi
dations","Infectious disease","Biosynthesis of specialized proresolving mediators (SPMs)","Transport of bile salts and organic acids","metal ions and amine compounds","Cellular response to hypoxia","P
hase I - Functionalization of compounds","Leishmania infection","Biosynthesis of DHA-derived SPMs","Organic cation/anion/zwitterion transport","Oxygen-dependent proline hydroxylation of Hypoxia-induci
ble Factor Alpha","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Biosynthesis of maresins","Organic cation transport",Xenobiotics,"Anti-inflammatory response
 favouring Leishmania parasite infection","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-d
ealkylated by CYP1A2"}

> <broad_targets>
{}

> <broad_moa>
{"potassium channel antagonist"}

> <synonyms>
{"UNII-PI4N7C63ND component UNPLRYRWJLTVAE-BDQAORGHSA-N","UNIIPI4N7C63ND component UNPLRYRWJLTVAEBDQAORGHSAN",T0723,"Cloperastine hydrochloride"}

> <pdid>
PD009413

> <targets>
{HT}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{76959149}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 33  0  0  0  0            999 V2000
    6.3990   -7.8767    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0092   -6.0025    0.0000 O   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 N   0  0
   -2.6079  -12.0005    0.0000 C   0  0
   -1.3071  -12.7491    0.0000 C   0  0
   -0.0093  -11.9969    0.0000 O   0  0
   -1.3040  -14.2499    0.0000 N   0  0
   -0.0032  -14.9985    0.0000 C   0  0
    0.0020  -16.4985    0.0000 C   0  0
   -1.2944  -17.2531    0.0000 C   0  0
    1.3037  -17.2441    0.0000 C   0  0
    2.6001  -16.4896    0.0000 C   0  0
    2.5950  -14.9896    0.0000 C   0  0
    1.2933  -14.2441    0.0000 C   0  0
    1.2882  -12.7441    0.0000 C   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 23  1  0
 29 30  1  0
 18 31  1  0
 31 32  1  0
 32 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11390

> <plate>
PLATE 006

> <well>
D10

> <supplier_cmpd_name>
Ranolazine dihydrochloride

> <ctcr_id>
1814

> <supplier_cmpd_id>
T0207

> <smiles>
Cl.COc1ccccc1OCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2

> <pd_targets>
{BLM,NPSR1,PMP22,LMNA,SCN5A,KCNH2,SCN4A,SCN10A,SCN11A,SCN1A,SCN1B,SCN2A,SCN2B,SCN3A,SCN3B,SCN4B,SCN7A,SCN8A,SCN9A,KCNJ12,KCNJ14,KCNJ2,KCNJ4,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,
ADRA1A,ADRA1B,ADRA1D,ADRB1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Other nuclear protein","Ion channel","Family A G protein-coupled receptor","Voltage-gated ion channel",Kinase,"Peptide receptor (family A GPCR)","Vo
ltage-gated sodium channel","Protein Kinase","Potassium channels","Small molecule receptor (family A GPCR)","Short peptide receptor (family A GPCR)","AGC protein kinase group","Voltage-gated potassium
 channel","Monoamine receptor","Neuropeptide receptor","AGC protein kinase PKC family","Adrenergic receptor","AGC protein kinase PKC iota subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Neuropeptide S receptor","Voltage-gated sodium channels","Potassium channels",Adrenoceptors,"Voltage-gated potassi
um channels"}

> <pathway_reactome>
{"DNA Repair",Disease,"Developmental Biology","Cell Cycle","Muscle contraction","DNA Double-Strand Break Repair","Infectious disease","Nervous system development",Mitotic,"Cardiac conduction","Homolog
y Directed Repair","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Axon guidance","Phase 3 - rapid repolarisation","HDR through Homologous Recombinat
ion (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","L1CAM interactions","HDR through Homologous Recombination (HRR)","Anti-inflammat
ory response favouring Leishmania parasite infection","Mitotic Anaphase","Interaction between L1 and Ankyrins","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokine
s production","Nuclear Envelope (NE) Reassembly","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SCN10A,SCN9A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{SMR000326795,MLS000859934,MLS001401403,SCHEMBL612077,CHEMBL537649,CCG-100990,CCG100990,NC00240,T0207,SAM001246534,"Ranolazine dihydrochloride",CPD000326795}

> <pdid>
PD010150

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23581790}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11391

> <plate>
PLATE 006

> <well>
D11

> <supplier_cmpd_name>
DL-Adrenaline Hydrochloride

> <ctcr_id>
4500

> <supplier_cmpd_id>
T1071L

> <smiles>
CNCC(O)c1ccc(O)c(O)c1

> <pd_targets>
{TDP1,FFP,RORC,ADRA2B,ADRB3,MAPT,HTR7,ADRA1A,SLC6A2,ADRA1B,DRD2,ADRB2,KMT2A,ALD,GRK2,ADRA2C,APEX1,MEN1,ADRA2A,ADRB1,SLC22A1,PMP22,BLM,TGR,KDM4E,NPSR1,CYP2D6,THPO,ADRA1D,HIF1A,MAPK1,CYP3A4,ALDH1A1,CYP1
A2,ABCC1,RECQL,TSHR,HSD17B10,ALOX15,CHRM1,GAA,RXFP1,NFKB1,MTOR,CA1,TNF}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Membrane receptor","Other cytosolic protein",Transporter,"Epigenetic regulator","Unclassified protein",Hydrolase,Transferase,"Nuclear receptor","Family A G protein-coup
led receptor","Electrochemical transporter",Reader,Kinase,Eraser,"Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers",Bromodomain,"Prot
ein Kinase","Lysine demethylase","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","SLC06 neurotransmitter transporter family","AGC protein kinase 
group","SLC22 family of organic cation and anion transporters","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F member 3","Adrenergic 
receptor","Serotonin receptor","Dopamine receptor","AGC protein kinase GRK family","Neuropeptide receptor","AGC protein kinase BARK subfamily","Secreted protein","Cytochrome P450",Oxidoreductase,"Prim
ary active transporter",Lyase,"Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","ATP-binding cassette","Cytochrome P450 family 2D","CMGC protein kinase group","Cytochrom
e P450 family 3A","Cytochrome P450 family 1A","ABCC subfamily","Glycohormone receptor","Relaxin-like peptide receptor (family A GPCR)","Atypical protein kinase group","Cytochrome P450 2D6","CMGC prote
in kinase MAPK family","Cytochrome P450 3A4","Cytochrome P450 1A1","Acetylcholine receptor","Relaxin receptor","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase
 FRAP subfamily"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Nuclear hormone receptors","G protein-coupled receptors","SLC superfamily of solute carriers","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","1F. Retinoic acid-r
elated orphans",Adrenoceptors,"5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","Dopamine receptors","2.1.1.43 Histone methyltransferases (HMTs)","AGC: Containing PKA",PKG,"PK
C families","SLC22 family of organic cation and anion transporters","1.14.11.- Histone demethylases","Neuropeptide S receptor","Monoamine transporter subfamily","G protein-coupled receptor kinases (GR
Ks)","Organic cation transporters (OCT)","Beta-adrenergic receptor kinases (&beta;ARKs)","Cytochrome P450","ATP-binding cassette transporter family","Eicosanoid turnover","3.2.1.- Glycosidases","Carbo
nic anhydrases","CYP2 family: drug metabolising subset","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","CYP1 family","ABCC subfamily","Glycoprotein hormone receptors",Lipoxygenases,"Ace
tylcholine receptors (muscarinic)","Relaxin family peptide receptors",Atypical,"Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK su
bfamily","FRAP subfamily"}

> <pathway_reactome>
{"DNA Repair","Gene expression (Transcription)","Signal Transduction",Disease,"Neuronal System","Transport of small molecules","Developmental Biology","DNA Double-Strand Break Repair","RNA Polymerase 
II Transcription","Signaling by GPCR","Infectious disease","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Intracellular signaling by second messengers","Base Excisi
on Repair","SLC-mediated transmembrane transport","Nervous system development","Nonhomologous End-Joining (NHEJ)","Generic Transcription Pathway","GPCR ligand binding","Leishmania infection","Neurotra
nsmitter receptors and postsynaptic signal transmission","SLC transporter disorders","DAG and IP3 signaling","Resolution of Abasic Sites (AP sites)","Transport of bile salts and organic acids","metal 
ions and amine compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Transcriptional regulation by RUNX3","Class A/1 (Rhodopsin-like receptors)","Leis
hmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Defective SLC6A2 causes orthostatic intolerance (OI)","Transcriptional regulation by RUNX1","CaM pathway","
Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Organic cation/anion/zwitterion transport","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)",
"RUNX3 Regulates Immune Response and Cell Migration","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","RUNX1
 regulates genes involved in megakaryocyte differentiation and platelet function","Calmodulin induced events","PCNA-Dependent Long Patch Base Excision Repair","Organic cation transport","HDR through H
omologous Recombination (HRR)",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Dopamine receptors","Homologous DNA Pairing and Strand
 Exchange","Presynaptic phase of homologous DNA pairing and strand exchange",Metabolism,Hemostasis,"Cellular responses to external stimuli","Immune System","Biological oxidations","Platelet activation
","signaling and aggregation","Cellular responses to stress","Innate Immune System","Metabolism of lipids","Metabolism of amino acids and derivatives","Diseases of metabolism","Cytokine Signaling in I
mmune system","Phase I - Functionalization of compounds","Platelet Aggregation (Plug Formation)","Cellular response to hypoxia","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving 
mediators (SPMs)","Fatty acid metabolism","Branched-chain amino acid catabolism","Diseases of carbohydrate metabolism","Signaling by Interleukins","Cytochrome P450 - arranged by substrate type","Oxyge
n-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Arachidonic acid metabolism","Biosynt
hesis of DPA-derived SPMs","Glycogen storage diseases","Interleukin-1 family signaling","Transcriptional Regulation by TP53","Interleukin-12 family signaling","Interleukin-10 signaling",Xenobiotics,"M
yD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Biosynthesis of DPAn-3 SPMs","Glycogen storage disease type II (GAA)","Interleuk
in-1 signaling","Regulation of TP53 Activity","Interleukin-12 signaling","CYP2E1 reactions","MAP kinase activation","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-deal
kylated by CYP1A2","Biosynthesis of DPAn-3-derived protectins and resolvins","Muscarinic acetylcholine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Regulation of TP53 Expression and Degrad
ation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","
ERKs are inactivated"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,ADRB2,ADRB3,PAH,TNF}

> <broad_moa>
{"adrenergic receptor agonist","carbonic anhydrase activator",neurotransmitter}

> <synonyms>
{ADRENALIN,SDCCGSBI-0050505.P002,SDCCGSBI0050505.P002,DL-Adrenaline,DLAdrenaline,329-65-7,329657,dl-Epinephrine,dlEpinephrine,Racepinefrine,Racepinephrine,adrenaline,"Epinephrine racemic",(+-)-Adrenal
ine,(+)Adrenaline,"4-(1-hydroxy-2-(methylamino)ethyl)benzene-1,2-diol","4(1hydroxy2(methylamino)ethyl)benzene1,2diol",Racepinefrina,Racepinefrinum,(+-)-Epinephrine,(+)Epinephrine,Epire,T1071L,T1071,T1
071L2,S2523,SAM002699891,S2522,"DL-Adrenaline Hydrochloride",L-Adrenaline,DL-Adrenalin,CPD000857209}

> <pdid>
PD003193

> <targets>
{"Adrenergic Receptor",GPCR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{838,4866774}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 S   0  0
    1.2993   -3.7504    0.0000 N   0  0
   -1.2986   -3.7517    0.0000 O   0  0
    0.0007   -4.5008    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  8 11  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11392

> <plate>
PLATE 006

> <well>
E2

> <supplier_cmpd_name>
2-Aminobenzenesulfonamide

> <ctcr_id>
1473

> <supplier_cmpd_id>
T2187

> <smiles>
Nc1ccccc1[S](N)(=O)=O

> <pd_targets>
{CA1,CA2,CA9,CA4,CA6,MTCA2,CA5A,CA13,CYNT,NCE103,MTCA1,CA14,CA5B,CA12,CA7,CA15,AMPC}

> <pathway_gtopdb>
{Enzyme,Lyase,Hydrolase}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases"}

> <pathway_reactome>
{"Immune System","Transport of small molecules","Cellular responses to external stimuli",Metabolism,"Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","Cellular responses to stres
s","Reversible hydration of carbon dioxide","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","Interleukin-12 family signaling","Regul
ation of gene expression by Hypoxia-inducible Factor","Interleukin-12 signaling","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation"}

> <broad_targets>
{CA12,CA14,CA2,CA6,CA9}

> <broad_moa>
{"carbonic anhydrase inhibitor"}

> <synonyms>
{RESTW91,2-Aminobenzenesulfonamide,2Aminobenzenesulfonamide,3306-62-5,3306625,Orthanilamide,o-Aminobenzenesulfonamide,oAminobenzenesulfonamide,o-Sulfanilamide,oSulfanilamide,"Benzenesulfonamide, 2-ami
no-","Benzenesulfonamide, 2amino",2-Amino-benzenesulfonamide,"Benzenesulfonamide, o-amino-","Benzenesulfonamide, oamino",MFCD00007932,2-aminobenzene-1-sulfonamide,2aminobenzene1sulfonamide,CHEMBL6705,
o-Aminoben,oAminoben,T2187,Prestw-913}

> <pdid>
PD000695

> <targets>
{Carbonic Anhydrase}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
{72894}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  1  0            999 V2000
    8.8672    2.4850    0.0000 Cl  0  0
   -5.1750    2.4141    0.0000 C   0  0
   -3.7106    2.0893    0.0000 N   0  0
   -2.7244    3.5602    0.0000 C   0  0  2  0  0  0
   -1.3873    2.9083    0.0000 C   0  0
   -1.0864    1.5043    0.0000 C   0  0  2  0  0  0
   -1.9890    0.3677    0.0000 C   0  0
   -3.4432    0.3677    0.0000 C   0  0  1  0  0  0
   -4.3959    1.5043    0.0000 C   0  0  2  0  0  0
   -5.3820    2.3902    0.0000 O   0  0
   -4.0616    2.9083    0.0000 C   0  0  2  0  0  0
    0.3793    1.1696    0.0000 O   0  0
    1.4008    2.2691    0.0000 C   0  0
    0.9592    3.7026    0.0000 O   0  0
    2.8640    1.9351    0.0000 C   0  0  2  0  0  0
    3.3030    0.4999    0.0000 C   0  0
    2.2808   -0.5978    0.0000 O   0  0
    3.8856    3.0347    0.0000 C   0  0
    5.3485    2.7030    0.0000 C   0  0
    6.3672    3.8040    0.0000 C   0  0
    5.9231    5.2367    0.0000 C   0  0
    4.4602    5.5685    0.0000 C   0  0
    3.4415    4.4675    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  1  0
  8  7  1  1
  8  3  1  0
  8  9  1  0
  9 10  1  6
 11 10  1  6
 11  4  1  0
 11  9  1  0
  6 12  1  1
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  1
 16 17  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11393

> <plate>
PLATE 006

> <well>
E3

> <supplier_cmpd_name>
Scopolamine HBr trihydrate

> <ctcr_id>
559

> <supplier_cmpd_id>
T2182

> <smiles>
Cl.CN1[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4

> <pd_targets>
{MACHR-A,CHRM2,CHRM4,CHRM3,CHRM5,CHRM1,SI,RORC,NFO,KMT2A,MEN1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Transcription factor","Epigenetic regulator","Family A G protein-coupled receptor","Nuclear receptor",Hydrolase,Reader,"Small molecule receptor (family A GPCR)","Nuclear h
ormone receptor subfamily 1",Bromodomain,"Monoamine receptor","Nuclear hormone receptor subfamily 1 group F","Acetylcholine receptor","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Nuclear hormone receptors","Acetylcholine receptors (muscarinic)","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Gene expression (Transcription)","Signaling by GPCR","Diseases of metabolism","RNA Polymerase II Transcription","GPCR ligand binding","Diseases of carbohydrate metaboli
sm","Generic Transcription Pathway","Class A/1 (Rhodopsin-like receptors)","Intestinal saccharidase deficiencies","Transcriptional regulation by RUNX3","Amine ligand-binding receptors","RUNX3 Regulate
s Immune Response and Cell Migration","Muscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,SI}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{RESTW87,55-16-3,55163,"Scopolamine (hydrochloride)","(-)-Scopolamine hydrochloride","()Scopolamine hydrochloride","(-)-Scopolamine hydrochloride; Hyoscine hydrochloride","()Scopolamine hydrochloride;
 Hyoscine hydrochloride",MLS001074339,SCHEMBL219720,CHEMBL1474008,AKOS015960774,MCULE-1099479602,MCULE1099479602,SMR000674614,FT-0777564,FT0777564,"SCOPOLAMINE HYDROCHLO",T2725,T2182,T3S0478,Prestw-87
7,"Scopolamine HBr","Scopolamine HBr trihydrate",Scopolamine,"Scopolamine hydrochloride"}

> <pdid>
PD008411

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2837667}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 21  0  0  1  0            999 V2000
   10.2003   -3.3752    0.0000 Cl  0  5
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3039   -3.7494    0.0000 N   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6060   -6.0003    0.0000 C   0  0
    3.9051   -5.2503    0.0000 C   0  0
    2.6061   -7.5003    0.0000 C   0  0
    1.3071   -8.2503    0.0000 C   0  0
    0.0080   -7.5003    0.0000 C   0  0
    0.0080   -6.0003    0.0000 C   0  0
   -1.2911   -5.2504    0.0000 C   0  0
    7.7003   -3.3752    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  1  6
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
M  CHG  2   1  -1  22   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11394

> <plate>
PLATE 006

> <well>
E4

> <supplier_cmpd_name>
Ropivacaine

> <ctcr_id>
2795

> <supplier_cmpd_id>
T0386L

> <smiles>
[Cl-].CCCN1CCCC[C@H]1C(=O)Nc2c(C)cccc2C.[H+]

> <pd_targets>
{SCN5A,LMNA,KCNK3,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN7A,SCN8A,SCN9A}

> <pathway_gtopdb>
{"Ion channel","Other nuclear protein","Voltage-gated ion channel","Voltage-gated sodium channel","Potassium channels","Two-pore domain potassium channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Voltage-gated sodium channels","Potassium channels","Two P domain potassium channels"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","Neuronal System","Nervous system development",Mitotic,"Potassium Channels","Axon guidance","M Phase","Tandem pore domain potassium channels","L1CAM interactions"
,"Mitotic Metaphase and Anaphase","TWIK-releated acid-sensitive K+ channel (TASK)","Interaction between L1 and Ankyrins","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear En
velope (NE) Reformation"}

> <broad_targets>
{SCN10A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{"Ropivacaine hydrochloride",98717-15-8,98717158,"98717 15 8",AKOS015918210,"(2S)-N-(2,6-dimethylphenyl)-1-propyl-piperidine-2-carboxamide hydrochloride","(2S)N(2,6dimethylphenyl)1propylpiperidine2car
boxamide hydrochloride","(2S) N (2,6 dimethylphenyl) 1 propyl piperidine 2 carboxamide hydrochloride","ROPIVACAINE HCl",132112-35-7,132112357,"132112 35 7",Naropin,"Ropivacaine monohydrochloride",UNII
-35504LBE2T,UNII35504LBE2T,"UNII 35504LBE2T",Ropivacai,T0386L,T0386,SAM001246524,Ropivacaine,CPD000469137}

> <pdid>
PD010117

> <targets>
{Potassium Channel,Sodium Channel}

> <classes>
{Membrane Transporter/Ion Channel}

> <pubchem_cids>
{46856340,175804,53262295}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
   14.2969   -2.2679    0.0000 C   0  0
   12.9965   -3.0156    0.0000 C   0  0
   11.6976   -2.2637    0.0000 N   0  0
   11.6967   -0.7629    0.0000 C   0  0
   10.3977   -0.0128    0.0000 C   0  0
   10.3966   -3.0118    0.0000 C   0  0
    9.0977   -2.2599    0.0000 C   0  0
    7.7988   -1.5080    0.0000 C   0  0
    6.4999   -0.7561    0.0000 C   0  0
    5.1988   -1.5042    0.0000 O   0  0
    3.8999   -0.7523    0.0000 C   0  0
    3.9021    0.7477    0.0000 O   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.6001   -0.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5996   -3.0013    0.0000 C   0  0
    1.3010   -3.7520    0.0000 C   0  0
    1.3018   -5.2520    0.0000 C   0  0
    2.6012   -6.0013    0.0000 C   0  0
    3.8998   -5.2506    0.0000 C   0  0
    3.8990   -3.7506    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  3  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 13 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11395

> <plate>
PLATE 006

> <well>
E5

> <supplier_cmpd_name>
Oxybutynin

> <ctcr_id>
4547

> <supplier_cmpd_id>
T1049L

> <smiles>
CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2

> <pd_targets>
{KMT2A,MEN1,PMP22,NPSR1,RECQL,CHRM1,GPM3,CHRM2,CHRM5,CHRM4,ABCB11,CHRM3,DRD3,SLC6A3,SLC6A2,SIGMAR1,CYP2C19,HTR2B,CACNA1C,NFKB1,CYP3A4,CYP2C9,CYP1A2,THPO,CYP2D6,PKM,KCNH2}

> <pathway_gtopdb>
{"Epigenetic regulator","Unclassified protein","Membrane receptor",Enzyme,Transporter,"Ion channel","Other cytosolic protein",Reader,"Family A G protein-coupled receptor","Primary active transporter",
"Electrochemical transporter","Cytochrome P450","Voltage-gated ion channel",Bromodomain,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","ATP-binding cassette","SLC superfa
mily of solute carriers","Cytochrome P450 family 2","Voltage-gated calcium channel","Cytochrome P450 family 3","Cytochrome P450 family 1","Potassium channels","Short peptide receptor (family A GPCR)",
"Monoamine receptor","ABCB subfamily","SLC06 neurotransmitter transporter family","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Volta
ge-gated potassium channel","Neuropeptide receptor","Acetylcholine receptor","Dopamine receptor","Cytochrome P450 2C19","Serotonin receptor","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P45
0 1A1","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,Transporters,"Other protein targets",Enzymes,"Ion channels","G protein-coupled receptors","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Sigma receptors","C
ytochrome P450","Voltage-gated ion channels","2.7.1.40 Pyruvate kinases","Neuropeptide S receptor","Acetylcholine receptors (muscarinic)","ABCB subfamily","Dopamine receptors","SLC6 neurotransmitter t
ransporter family","CYP2 family: drug metabolising subset","5-Hydroxytryptamine receptors","Voltage-gated calcium channels","CYP3 family","CYP1 family","Potassium channels","Monoamine transporter subf
amily","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Signal Transduction",Metabolism,"Immune System",Hemostasis,"Muscle contraction","Nervous system development","Infectious disease","Signaling by GPCR","Metabolism of l
ipids","Disorders of transmembrane transporters","Biological oxidations","Cytokine Signaling in Immune system","Platelet activation","signaling and aggregation","Metabolism of carbohydrates","Cardiac 
conduction","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Leishmania infection","GPCR ligand binding","Metabolism of steroids","SLC transporter disorders","SARS-CoV Infections","Ph
ase I - Functionalization of compounds","Axon guidance","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","Platelet Aggregation (Plug Formation)","Glucose metabol
ism","Phase 3 - rapid repolarisation","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Defective SLC6A3 causes Parkinsonism-dyston
ia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)","Potential therapeutics for SARS","Cytochrome P450 - arranged by substrate type","NCAM signaling for neurite out-growth","I
nterleukin-1 family signaling","Biosynthesis of DHA-derived SPMs",Glycolysis,"Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Synthesis of bile ac
ids and bile salts",Xenobiotics,"NCAM1 interactions","Interleukin-1 signaling","Biosynthesis of maresins","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors"
,"Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Dopamine receptors","CYP2E1 reactions","Serotonin receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of mare
sin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"Oxybutynin (USAN:INN:BAN)",oxybutynin,5633-20-5,5633205,Ditropan,Oxytrol,Oxibutyninum,Oxybutyninum,Oxybutynine,Oxibutinina,"Oxybutynine (INN-French)","Oxybutynine (INNFrench)","Oxybutyninum (INN-Lat
in)","Oxybutyninum (INNLatin)",Oxybutinin,"Oxibutinina (INN-Spanish)","Oxibutinina (INNSpanish)",(RS)-oxybutynin,(RS)oxybutynin,4-Diethylamino-2-b,4Diethylamino2b,T1049L,T1049,S1754,Oxybutynin,"Oxybut
ynin hydrochloride"}

> <pdid>
PD009572

> <targets>
{Others,AChR}

> <classes>
{}

> <pubchem_cids>
{4634}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    5.0973   -2.5078    0.0000 Cl  0  0
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
  -10.3875   -1.5257    0.0000 C   0  0
  -10.3802   -3.0265    0.0000 C   0  0
   -9.1607   -3.8779    0.0000 S   0  0
   -9.6143   -5.3077    0.0000 C   0  0
   -8.7243   -6.5151    0.0000 O   0  0
  -11.1143   -5.3181    0.0000 N   0  0
  -11.5877   -3.8947    0.0000 C   0  0
  -13.0148   -3.4326    0.0000 O   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  2  0
 14 23  1  0
 23 24  2  0
 24 11  1  0
  7 25  1  0
 25 26  2  0
 26  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11396

> <plate>
PLATE 006

> <well>
E6

> <supplier_cmpd_name>
Pioglitazone hydrochloride

> <ctcr_id>
1468

> <supplier_cmpd_id>
T0214L

> <smiles>
Cl.CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1

> <pd_targets>
{FABI,ABCB11,PPARA,CISD2,PPARG,CISD1,MAOB,ALDH1A1,AKR1B1,CYP3A4,ABCC4,MAOA,CA2,RXRA,TRPM3}

> <pathway_gtopdb>
{Enzyme,Transporter,"Transcription factor","Unclassified protein",Oxidoreductase,"Primary active transporter","Nuclear receptor","Cytochrome P450",Lyase,"ATP-binding cassette","Nuclear hormone recepto
r subfamily 1","Cytochrome P450 family 3","ABCB subfamily","Nuclear hormone receptor subfamily 1 group C","Cytochrome P450 family 3A","ABCC subfamily","Nuclear hormone receptor subfamily 1 group C mem
ber 1","Nuclear hormone receptor subfamily 1 group C member 3","Cytochrome P450 3A4"}

> <pathway_chembl>
{Transporters,Receptors,Enzymes,"Ion channels","ATP-binding cassette transporter family","Nuclear hormone receptors","Catecholamine turnover","1.-.-.- Oxidoreductases","Cytochrome P450","Carbonic anhy
drases","Voltage-gated ion channels","ABCB subfamily","1C. Peroxisome proliferator-activated receptors","CYP3 family","ABCC subfamily","Transient Receptor Potential channels"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)",Hemostasis,"Transport of small molecules","Metabolism of lipids","RNA Polymerase II Transcription","Biological oxidations","Platelet activation","signalin
g and aggregation","O2/CO2 exchange in erythrocytes","Ion channel transport","Metabolism of steroids","Generic Transcription Pathway","Phase I - Functionalization of compounds","Biosynthesis of specia
lized proresolving mediators (SPMs)","Response to elevated platelet cytosolic Ca2+","Erythrocytes take up carbon dioxide and release oxygen","Stimuli-sensing channels","Bile acid and bile salt metabol
ism","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional Regulation by MECP2","Amine Oxidase reactions","Ethanol oxidation","Metabolism of steroid hormones","Biosynthesis of DHA
-derived SPMs","Platelet degranulation","TRP channels","Synthesis of bile acids and bile salts","Activation of gene expression by SREBF (SREBP)","MECP2 regulates transcription factors","Biogenic amine
s are oxidatively deaminated to aldehydes by MAOA and MAOB","Pregnenolone biosynthesis","Biosynthesis of maresins","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis 
of maresin-like SPMs"}

> <broad_targets>
{PPARG,TRPM3}

> <broad_moa>
{"insulin sensitizer","PPAR receptor agonist"}

> <synonyms>
{"pioglitazone hydrochloride",112529-15-4,112529154,"Pioglitazone HCl","Pioglitazone (hydrochloride)",U-72107A,U72107A,MFCD04975446,C19H21ClN2O3S,"112529-15-4 (HCl)","112529154 (HCl)",Glustin,Zactos,N
CGC00095131-01,NCGC0009513101,"Pioditazone hydrochloride","Actos (TN)",DSSTox_,DSSTox,DSSTox-,T0214L,SAM001246600,1504401,"Pioglitazone hydrochloride",CPD000469167,"PIOGLITAZONE HYDROCHLORIDE"}

> <pdid>
PD009788

> <targets>
{Ferroptosis,PPAR}

> <classes>
{antidiabetic,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{60560,23137834,91810984}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 23  0  0  0  0            999 V2000
   11.4915   -1.5060    0.0000 H   0  3
    8.9915   -1.5060    0.0000 Cl  0  5
   -2.6041   -2.9866    0.0000 C   0  0
   -1.3074   -3.7406    0.0000 N   0  0
   -0.0048   -2.9950    0.0000 C   0  0
    1.2926   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5030    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -2.5998    3.0004    0.0000 F   0  0
   -3.8976    0.7500    0.0000 F   0  0
   -3.8982    2.2498    0.0000 F   0  0
    3.8934   -3.7569    0.0000 C   0  0
    5.1961   -3.0132    0.0000 C   0  0
    6.4915   -3.7695    0.0000 C   0  0
    6.4843   -5.2694    0.0000 C   0  0
    5.1817   -6.0132    0.0000 C   0  0
    3.8862   -5.2570    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  7 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11397

> <plate>
PLATE 006

> <well>
E7

> <supplier_cmpd_name>
Fluoxetine hydrochloride

> <ctcr_id>
5037

> <supplier_cmpd_id>
T0450L

> <smiles>
[H+].[Cl-].CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2

> <pd_targets>
{SLC6A4,ACHE,HTT,CYP2C19,ADRA1A,ADRA1B,ADRA1D,SLC6A3,ALB,HRH3,SLC6A2,HTR1A,HTR1B,HTR1D,HTR1F,KCNH2,KCNJ6,HTR2C,SLC29A4,NET,LMNA,SIGMAR1,HTR2B,ADRA2A,ADRA2B,ADRA2C,HTR2A,KCNC1,HTR6,KMT2A,MEN1,FTL,PMP22
,HPGD,GMNN,CYP3A4,CHRM5,KCNK2,MTOR,CHRM3,CACNA1C,CYP2D6,CHRM1,ANO1,CHRNA2,CHRNA3,CHRNB4,APEX1,AMPC,ALDH1A1,KDM4E,LEF,RORC,TP53,TSHR,CYP2C9,CYP1A2,NFKB1,ALOX15,THPO,HRH1,MAPK1,ARRB2}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC06 neurotransmitter transporter family",Enzyme,"Unclassified protein","Membrane receptor","Secreted protein","Ion ch
annel","Other nuclear protein","Epigenetic regulator",Hydrolase,"Cytochrome P450","Family A G protein-coupled receptor","Voltage-gated ion channel",Reader,Kinase,"Other ion channel","Ligand-gated ion 
channel","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Potassium channels",Bromodomain,"Cytochrome P450 family 3","Protein Kinase","Voltage-gated calcium channel","Chloride cha
nnel","Nicotinic acetylcholine receptor","Cytochrome P450 family 2C","Monoamine receptor","Voltage-gated potassium channel","Inwardly rectifying potassium channel","SLC28 and SLC29 families of nucleos
ide transporters","Cytochrome P450 family 3A","Two-pore domain potassium channel","Atypical protein kinase group","Cytochrome P450 family 2D","Calcium-activated chloride channel","Nicotinic acetylchol
ine receptor alpha subunit","Nicotinic acetylcholine receptor beta subunit","Cytochrome P450 2C19","Adrenergic receptor","Histamine receptor","Serotonin receptor","SLC29 Facilitative nucleoside transp
orter family","Cytochrome P450 3A4","Acetylcholine receptor","Atypical protein kinase PIKK family","Cytochrome P450 2D6","Atypical protein kinase FRAP subfamily","Transcription factor","Other cytosoli
c protein",Oxidoreductase,Eraser,Protease,"Nuclear receptor","Lysine demethylase","Metallo protease","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Cytochrome P450 family 1
","Jumonji domain-containing","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Glycohormone receptor","Cytochrome P450 family 1A","CMGC protein kinase group","Metallo protea
se M34 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Cytochrome P450 1A1","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC6 neurotransmitter transporter family","Monoamine transporter subfamily",Enzymes,Receptors,"Ion channels","Other protein targets","Acetylcholine 
turnover","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","Sigma receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Other ion channels","Ligand-gated ion channels","
CYP2 family: drug metabolising subset","Histamine receptors","Potassium channels","5-Hydroxytryptamine receptors","SLC28 and SLC29 families of nucleoside transporters","Prostaglandin synthases","CYP3 
family",Adrenoceptors,"Acetylcholine receptors (muscarinic)",Atypical,"Voltage-gated calcium channels","Chloride channels","Nicotinic acetylcholine receptors","Voltage-gated potassium channels","Inwar
dly rectifying potassium channels","SLC29 family","Two P domain potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Calcium activated chloride channel","FRAP subfamily
","Chromatin modifying enzymes","Nuclear hormone receptors","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","Glycoprotein hormone receptors","CYP1 family",Lipoxygenases,"CMGC: Con
taining CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter clearance","Serotonin clearance from the synaptic cleft",Metabolism,"Gene expression (Transcription)",Disease,"Signal Trans
duction","Muscle contraction","Transport of small molecules","Cell Cycle","Vesicle-mediated transport","Developmental Biology","Metabolism of lipids","RNA Polymerase II Transcription","Biological oxid
ations","Disorders of transmembrane transporters","Signaling by GPCR","Cardiac conduction","SLC-mediated transmembrane transport",Mitotic,"Infectious disease","Potassium Channels","Membrane Traffickin
g","Nervous system development","Ion channel transport","Phospholipid metabolism","Generic Transcription Pathway","Phase I - Functionalization of compounds","SLC transporter disorders","Metabolism of 
steroids","GPCR ligand binding","Phase 3 - rapid repolarisation","Neurotransmitter receptors and postsynaptic signal transmission","Transport of vitamins",nucleosides,"and related molecules","M Phase"
,"SARS-CoV Infections","Voltage gated Potassium channels","Leishmania infection","trans-Golgi Network Vesicle Budding","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of
 specialized proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Tandem pore domain potassium channels","Axon guidance","Stimuli-sensing channels","Glycerophospholipid biosynthesis"
,"Transcriptional Regulation by MECP2","Cytochrome P450 - arranged by substrate type","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Bile acid and bile salt metabolism","Class A/1 
(Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","GABA receptor activation","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane"
,"Mitotic Metaphase and Anaphase","Potential therapeutics for SARS","Leishmania parasite growth and survival","Golgi Associated Vesicle Biogenesis","Biosynthesis of DHA-derived SPMs","G1/S Transition"
,"TWIK related potassium channel (TREK)","Transcriptional Regulation by TP53","NCAM signaling for neurite out-growth","Acetylcholine binding and downstream events","Synthesis of PC","Regulation of MEC
P2 expression and activity",Xenobiotics,"Recycling of bile acids and salts","Amine ligand-binding receptors","GABA B receptor activation","Mitotic Anaphase","Anti-inflammatory response favouring Leish
mania parasite infection","Biosynthesis of D-series resolvins","Activation of the pre-replicative complex","Biosynthesis of maresins","Regulation of TP53 Activity","NCAM1 interactions","Postsynaptic n
icotinic acetylcholine receptors","CYP2E1 reactions","Histamine receptors","Activation of GABAB receptors","Serotonin receptors","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory 
cytokines production","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Muscarinic acetylcholine receptors","Regulation of TP53 Expression and Degradation","Highly calcium permeable postsynaptic nico
tinic acetylcholine receptors","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","DNA Repair","Im
mune System",Hemostasis,"Base Excision Repair","Cell Cycle Checkpoints","Cytokine Signaling in Immune system","Platelet activation","signaling and aggregation","Innate Immune System","Resolution of Ab
asic Sites (AP sites)","Uptake and actions of bacterial toxins","G1/S DNA Damage Checkpoints","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","Toll-like Receptor Cascades","Resolut
ion of AP sites via the multiple-nucleotide patch replacement pathway","Ethanol oxidation","Uptake and function of anthrax toxins","Transcriptional regulation by RUNX3","p53-Dependent G1/S DNA damage 
checkpoint","Interleukin-1 family signaling","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","PCNA-Dependent Long Patch Base Excision Repair","RUNX3 Regulates Immune Response 
and Cell Migration","p53-Dependent G1 DNA Damage Response","Interleukin-1 signaling","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Stabilization of p53","Aromatic amines 
can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","Autodegradation of the
 E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ANO1,HTR2B,SLC6A4}

> <broad_moa>
{"selective serotonin reuptake inhibitor (SSRI)"}

> <synonyms>
{"FLUOXETINE HYDROCHLORIDE",56296-78-7,56296787,"Fluoxetine Hcl",Prozac,59333-67-4,59333674,Sarafem,"Fluoxetine (hydrochloride)",Fluoxeren,Adofen,Fluctin,Lovan,Fluctine,Fluoxac,Fludac,Fluxil,Fontex,"L
Y 110140",LY-110140,LY110140,MFCD00214288,Reconcile,Self,T0450,T0450L,S1333,SAM002589965,1504173,Prestw-511,Fluoxetine,"Fluoxetine hydrochloride","Fluoxetine HCl",CPD000058452,FLUOXETINE}

> <pdid>
PD004343

> <targets>
{"5-HT Receptor"}

> <classes>
{antidepressant,"Neuronal Signaling"}

> <pubchem_cids>
{62857,657320,11824156}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    9.1353   -8.2250    0.0000 O   0  0
    7.8326   -7.4814    0.0000 C   0  0
    7.8242   -5.9806    0.0000 C   0  0
    9.1193   -5.2238    0.0000 O   0  0
    6.5208   -5.2365    0.0000 C   0  0
    6.5125   -3.7357    0.0000 O   0  0
    5.2090   -2.9917    0.0000 C   0  0
    3.9139   -3.7485    0.0000 O   0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 Cl  0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  2  0
 26 16  1  0
 26 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11398

> <plate>
PLATE 006

> <well>
E8

> <supplier_cmpd_name>
Glafenine Hydrochloride

> <ctcr_id>
2546

> <supplier_cmpd_id>
T0055L

> <smiles>
OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23

> <pd_targets>
{HPGD,CYP3A4,ALDH1A1,HSD17B10,KDM4E,MAPK1,AMPC,ABCB11,PTGS1,PTGS2}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transporter,Protease,"Cytochrome P450",Oxidoreductase,Eraser,Kinase,Hydrolase,"Primary active transporter","Cysteine protease","Cytochrome P450 family 3","Lysine demethy
lase","Protein Kinase","ATP-binding cassette","Cysteine protease CA clan","Cytochrome P450 family 3A","Jumonji domain-containing","CMGC protein kinase group","ABCB subfamily","Cysteine protease C1A fa
mily","Cytochrome P450 3A4","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,"Eicosanoid turnover","Cytochrome P450","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Prostaglandin synthases","CYP3 family","1.
14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Metabolism of lipids","Biological oxidations","Metabolism of amino acids and derivatives","Innate Immune System","Biosynthesis of specialized proresolving mediators (SPMs)
","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Metabolism of steroids","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Toll 
Like Receptor 5 (TLR5) Cascade","Bile acid and bile salt metabolism","Biosynthesis of D-series resolvins","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","Synthesis of bile aci
ds and bile salts","Biosynthesis of maresin-like SPMs","MAP kinase activation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear events mediated by MAP kina
ses","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CFTR}

> <broad_moa>
{"DeltaF508-CFTR Correctors"}

> <synonyms>
{glafenine,Glaphenine,3820-67-5,3820675,"3820 67 5",Glafenin,Glycerylaminophenaquine,Glaphenin,Glicafan,Glifanan,Glifan,Glafenina,Glafeninum,"2,3-Dihydroxypropyl 2-((7-chloroquinolin-4-yl)amino)benzoa
te","2,3Dihydroxypropyl 2((7chloroquinolin4yl)amino)benzoate",2,"3Dihydroxypropyl 2((7chloroquinolin4yl)",T0055,T0055L,1500996,Glafenine,"Glafenine Hydrochloride",GLAFENINE}

> <pdid>
PD001516

> <targets>
{Others}

> <classes>
{analgesic,Others}

> <pubchem_cids>
{3474}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    7.5987    0.0000    0.0000 H   0  3
    5.0987    0.0000    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  4  1  0
 17 12  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11399

> <plate>
PLATE 006

> <well>
E9

> <supplier_cmpd_name>
Tacrine hydrochloride hydrate

> <ctcr_id>
1504

> <supplier_cmpd_id>
T2191

> <smiles>
[H+].[Cl-].Nc1c2CCCCc2nc3ccccc13

> <pd_targets>
{THRB,CYP1A2,ACHE,CYP2D6,BCHE,AMPC,HSD17B10,LMNA,TSHR,LEF,MAPK1,ALDH1A1,NFKB1,CYP2C19,ALOX15,MAOA,OPRM1,SLC6A2,HNMT,CHRM2,CHRM1,CHRM3,CHRM4,CHRM5,CHRNE,SLC6A4,HTR2A,RORC,CHAT,ABCC4,KDM4E,CYP3A4,SLC6A3
,ADRA1A,APP,MAOB,FABP6,FABP1,SLC22A2,SLC22A1,GRIN1,GRIN2A,GRIN2B,SLC47A1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other nuclear protein","Membrane receptor","Other cytosolic protein",Transporter,"Ion channel","Epigenetic regulator","Unclassified protein","Auxiliary transport protei
n","Nuclear receptor","Cytochrome P450",Hydrolase,Oxidoreductase,"Family A G protein-coupled receptor",Protease,Kinase,"Electrochemical transporter",Transferase,"Ligand-gated ion channel","Primary act
ive transporter",Eraser,"Fatty acid binding protein family","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Metallo pro
tease","Protein Kinase","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","Nicotinic acetylcholine receptor","ATP-binding cassette","Lysine demethylase","Cytochrome P450 f
amily 3","Ionotropic glutamate receptor","Nuclear hormone receptor subfamily 1 group A","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Glycohormone receptor","Metallo protease MAE clan","CMG
C protein kinase group","Cytochrome P450 family 2C","Short peptide receptor (family A GPCR)","SLC06 neurotransmitter transporter family","Monoamine receptor","Nicotinic acetylcholine receptor epsilon 
subunit","Nuclear hormone receptor subfamily 1 group F","ABCC subfamily","Jumonji domain-containing","Cytochrome P450 family 3A","SLC22 family of organic cation and anion transporters","NMDA receptor"
,"SLC47 family of multidrug and toxin extrusion transporters","Nuclear hormone receptor subfamily 1 group A member 2","Cytochrome P450 1A1","Cytochrome P450 2D6","Metallo protease M34 family","CMGC pr
otein kinase MAPK family","Cytochrome P450 2C19","Opioid receptor","Acetylcholine receptor","Serotonin receptor","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Adrenerg
ic receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","Other protein targets","Nuclear hormone receptors","Cytochrome P450","Acetylcholine turnover","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Eico
sanoid turnover","Catecholamine turnover","SLC superfamily of solute carriers","Ligand-gated ion channels","ATP-binding cassette transporter family","Chromatin modifying enzymes","Fatty acid-binding p
roteins","1A. Thyroid hormone receptors","CYP1 family","CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"Opioid re
ceptors","SLC6 neurotransmitter transporter family","Acetylcholine receptors (muscarinic)","Nicotinic acetylcholine receptors","5-Hydroxytryptamine receptors","1F. Retinoic acid-related orphans","ABCC
 subfamily","1.14.11.- Histone demethylases","CYP3 family",Adrenoceptors,"SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and toxin extrusion transporters","Mitogen-a
ctivated protein kinases (MAP kinases)","Monoamine transporter subfamily","Organic cation transporters (OCT)","ERK subfamily"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Cell Cycle",Disease,"Immune System","Signal Transduction","Neuronal System","Gene expression (Transcription)",Hemostasis,"Transport of small molecules","Post-tran
slational protein modification","Biological oxidations","Metabolism of lipids","Metabolism of amino acids and derivatives",Mitotic,"Infectious disease","Innate Immune System","Cytokine Signaling in Im
mune system","Signaling by GPCR","Disorders of transmembrane transporters","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Platelet activation","signaling and aggregation","
SLC-mediated transmembrane transport",SUMOylation,"Phase I - Functionalization of compounds","Phospholipid metabolism","Branched-chain amino acid catabolism","M Phase","Leishmania infection","Uptake a
nd actions of bacterial toxins","Toll-like Receptor Cascades","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","SLC transporter diso
rders","Selenoamino acid metabolism","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","Neurotransmitter clearance","Generic Transcription Pathway","Response to e
levated platelet cytosolic Ca2+","Metabolism of steroids","Regulation of lipid metabolism by PPARalpha","Transport of bile salts and organic acids","metal ions and amine compounds","SUMO E3 ligases SU
MOylate target proteins","Cytochrome P450 - arranged by substrate type","Glycerophospholipid biosynthesis","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Uptake and functi
on of anthrax toxins","Toll Like Receptor 5 (TLR5) Cascade","Ethanol oxidation","Interleukin-1 family signaling","Biosynthesis of DPA-derived SPMs","Amine Oxidase reactions","G alpha (i) signalling ev
ents","Defective SLC6A2 causes orthostatic intolerance (OI)","Metabolism of ingested SeMet",Sec,"MeSec into H2Se","Class A/1 (Rhodopsin-like receptors)","Acetylcholine binding and downstream events","
Serotonin clearance from the synaptic cleft","Transcriptional regulation by RUNX3","Platelet degranulation","Biosynthesis of DHA-derived SPMs","Defective SLC6A3 causes Parkinsonism-dystonia infantile 
(PKDYS)","Bile acid and bile salt metabolism","PPARA activates gene expression","Organic cation/anion/zwitterion transport","SUMOylation of intracellular receptors",Xenobiotics,"Synthesis of PC","Mito
tic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","Interleukin-1 signaling","Biosynthesis of DPAn-3 SPMs","Biogenic amines
 are oxidatively deaminated to aldehydes by MAOA and MAOB","Opioid Signalling","Amine ligand-binding receptors","Postsynaptic nicotinic acetylcholine receptors","RUNX3 Regulates Immune Response and Ce
ll Migration","Biosynthesis of maresins","Recycling of bile acids and salts","Organic cation transport","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions","Nuclear E
nvelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protectins and r
esolvins","G-protein activation","Muscarinic acetylcholine receptors","Highly sodium permeable postsynaptic acetylcholine nicotinic receptors","Serotonin receptors","Biosynthesis of maresin-like SPMs"
,Adrenoceptors,"TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAP
K targets","ERKs are inactivated"}

> <broad_targets>
{ACHE,BCHE}

> <broad_moa>
{"acetylcholinesterase inhibitor"}

> <synonyms>
{SPECTRUM2300104,"Tacrine hydrochloride",1684-40-8,1684408,"1,2,3,4-tetrahydroacridin-9-amine hydrochloride","1,2,3,4tetrahydroacridin9amine hydrochloride","Tacrine HCl",Hydroaminacrine,Romotal,Tenakr
in,"9-AMINO-1,2,3,4-TETRAHYDROACRIDINE HYDROCHLORIDE","9AMINO1,2,3,4TETRAHYDROACRIDINE HYDROCHLORIDE",UNII-4966RNG0BU,UNII4966RNG0BU,tacrine.HCl,"Tacrine (hydroc",T2191,SAM001247002,2300104,Prestw-329
,"Tacrine hydrochloride hydrate",CPD000059105,"TACRINE HYDROCHLORIDE"}

> <pdid>
PD009117

> <targets>
{}

> <classes>
{anticholinesterase,"K channel blocker","cognitive adjuvant"}

> <pubchem_cids>
{15517,2723754,67108391}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    7.5987   -4.3657    0.0000 H   0  3
    5.0987   -4.3657    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5533    4.4223    0.0000 O   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 N   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 N   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -1.3071   -9.7511    0.0000 C   0  0
   -0.0924  -10.6092    0.0000 N   0  0
   -0.5539  -12.0365    0.0000 S   0  0
   -2.0531  -12.0383    0.0000 C   0  0
   -3.0552  -13.1544    0.0000 C   0  0
   -4.5229  -12.8446    0.0000 C   0  0
   -4.9884  -11.4187    0.0000 C   0  0
   -3.9863  -10.3026    0.0000 C   0  0
   -2.5186  -10.6124    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11  6  2  0
 11 12  1  0
 12 13  2  0
 13  4  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 22  1  0
 30 25  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11400

> <plate>
PLATE 006

> <well>
E10

> <supplier_cmpd_name>
Ziprasidone hydrochloride

> <ctcr_id>
4266

> <supplier_cmpd_id>
T0031L

> <smiles>
[H+].[Cl-].Clc1cc2NC(=O)Cc2cc1CCN3CCN(CC3)c4nsc5ccccc45

> <pd_targets>
{DRD2,ADRA1A,ADRA1B,ADRA1D,H1-0,HTR2C,SLC6A4,HTR1A,HRH1,MAPT,DRD3,SCN10A,HTR2A,ADRB2,ADRA2C,ADRB1,GABRA1,CHRM3,KCNH2,CCK,CYSLTR1,OPRD1,HTR1D,CHRM1,NET,HTR7,DRD4,HTR1E,ADRA2A,OPRK1,TBXA2R,CHRM4,HTR1B,H
TR3A,CHRM2,SIGMAR1,HTR6,CACNA1C,CHRM5,ADRA2B,TGR,RORC,SLC6A3,OPRM1,ARRB1,CCKBR,TAC1,HTR2B,HTR3B,HTR3C,HTR3D,HTR3E,MTOR,DRD5,HTR5A}

> <pathway_gtopdb>
{"Membrane receptor","Other nuclear protein",Transporter,"Other cytosolic protein","Ion channel","Secreted protein",Enzyme,"Transcription factor","Unclassified protein","Family A G protein-coupled rec
eptor","Electrochemical transporter","Voltage-gated ion channel","Ligand-gated ion channel","Nuclear receptor",Kinase,"Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Vo
ltage-gated sodium channel","GABA-A receptor","Potassium channels","Peptide receptor (family A GPCR)","5HT3 receptor","Voltage-gated calcium channel","Nuclear hormone receptor subfamily 1","Protein Ki
nase","Monoamine receptor","SLC06 neurotransmitter transporter family","Voltage-gated potassium channel","Lipid-like ligand receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Nuclear 
hormone receptor subfamily 1 group F","Atypical protein kinase group","Dopamine receptor","Adrenergic receptor","Serotonin receptor","Histamine receptor","Acetylcholine receptor","Leukotriene receptor
","Opioid receptor","Prostanoid receptor","Nuclear hormone receptor subfamily 1 group F member 3","Cholecystokinin receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfami
ly"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels","Other protein targets",Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Voltage-gated ion channels","Ligand-gated ion channels","Sigm
a receptors","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Dopamine receptors","5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","Histamine receptors","Voltage-gated sod
ium channels",Adrenoceptors,"GABA<sub>A</sub> receptors","Acetylcholine receptors (muscarinic)","Potassium channels","Leukotriene receptors","Opioid receptors","Prostanoid receptors","5-HT<sub>3</sub>
 receptors","Voltage-gated calcium channels","1F. Retinoic acid-related orphans","Cholecystokinin receptors",Atypical,"Monoamine transporter subfamily","Voltage-gated potassium channels","Phosphatidyl
 inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Cellular responses to external stimuli","Neuronal System",Disease,"Developmental Biology","Muscle contraction","Gene expression (Transcription)","Signaling by GPCR","Cellular r
esponses to stress","Transmission across Chemical Synapses","Infectious disease","Nervous system development","Cardiac conduction","RNA Polymerase II Transcription","Disorders of transmembrane transpo
rters","Diseases of signal transduction by growth factor receptors and second messengers","GPCR ligand binding","Cellular Senescence","Neurotransmitter clearance","Neurotransmitter receptors and posts
ynaptic signal transmission","Leishmania infection","Axon guidance","Phase 3 - rapid repolarisation","Generic Transcription Pathway","SARS-CoV Infections","SLC transporter disorders","GPCR downstream 
signalling","Oncogenic MAPK signaling","Class A/1 (Rhodopsin-like receptors)","DNA Damage/Telomere Stress Induced Senescence","Serotonin clearance from the synaptic cleft","Activation of NMDA receptor
s and postsynaptic events","Leishmania parasite growth and survival","L1CAM interactions","GABA receptor activation","Transcriptional Regulation by MECP2","Potential therapeutics for SARS","NCAM signa
ling for neurite out-growth","Transcriptional regulation by RUNX3","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","G alpha (i) signalling events","Signaling by RAS mutants","G alpha
 (q) signalling events","Transcriptional Regulation by TP53","Amine ligand-binding receptors","Formation of Senescence-Associated Heterochromatin Foci (SAHF)","Post NMDA receptor activation events","A
nti-inflammatory response favouring Leishmania parasite infection","Interaction between L1 and Ankyrins","Peptide ligand-binding receptors","MECP2 regulates neuronal receptors and channels","Eicosanoi
d ligand-binding receptors","NCAM1 interactions","RUNX3 Regulates Immune Response and Cell Migration","Opioid Signalling","Signaling downstream of RAS mutants","Gastrin-CREB signalling pathway via PKC
 and MAPK","Regulation of TP53 Activity","Dopamine receptors","Serotonin receptors","Histamine receptors","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines produc
tion",Adrenoceptors,"Muscarinic acetylcholine receptors","LTC4-CYSLTR mediated IL4 production","Prostanoid ligand receptors","G-protein activation","Tachykinin receptors bind tachykinins","Regulation 
of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA2A,ADRA2B,ADRA2C,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD1,DRD2,DRD3,DRD4,DRD5,HRH1,HTR1A,HTR1B,HTR1D,HTR1E,HTR2A,HTR2C,HTR3A,HTR6,HTR7,SLC6A4}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{RESTW118,JAL53626GG,"Ziprasidone hydrochloride",122883-93-6,122883936,"Ziprasidone HCl",Geodon,Zeldox,"Ziprasidone (hydrochloride)",UNII-JAL53626GG,UNIIJAL53626GG,"CP 88059 (hydrochloride monohydrate
)","CP 88059","122883-93-6 (HCl)","122883936 (HCl)",C21H22Cl2N4OS,"Ziprasidone hydrochloride (US",T0031L,T0031L2,T0031,Prestw-1188,Ziprasidone,"Ziprasidone hydrochloride monohydrate","Ziprasidone  Hyd
rochloride"}

> <pdid>
PD010148

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{219099,67108352}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 N   0  3
    0.0007    0.0004    0.0000 O   0  5
    2.5993    0.0004    0.0000 O   0  0
   16.7911   -3.5262    0.0000 Cl  0  0
   15.4921   -2.7762    0.0000 C   0  0
   15.4921   -1.2762    0.0000 C   0  0
   14.1930   -0.5262    0.0000 C   0  0
   12.8940   -1.2762    0.0000 C   0  0
   11.5958   -0.5232    0.0000 C   0  0
   11.5979    0.9777    0.0000 O   0  0
   10.2997    1.7308    0.0000 C   0  0
   10.3018    3.2316    0.0000 C   0  0
    9.0036    3.9847    0.0000 N   0  0
    8.8657    5.4655    0.0000 C   0  0
    7.3985    5.7774    0.0000 C   0  0
    6.6485    4.4783    0.0000 N   0  0
    7.6522    3.3636    0.0000 C   0  0
    8.9987    0.9826    0.0000 C   0  0
    8.9980   -0.5174    0.0000 C   0  0
    7.6987   -1.2669    0.0000 C   0  0
    6.3999   -0.5164    0.0000 C   0  0
    5.1006   -1.2660    0.0000 Cl  0  0
    6.4005    0.9836    0.0000 C   0  0
    7.6998    1.7331    0.0000 C   0  0
    7.7002    2.7331    0.0000 Cl  0  0
   12.8940   -2.7762    0.0000 C   0  0
   11.5950   -3.5262    0.0000 Cl  0  0
   14.1930   -3.5262    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 14  1  0
 12 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
  9 27  1  0
 27 28  1  0
 27 29  2  0
 29  6  1  0
M  CHG  2   2   1   3  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11401

> <plate>
PLATE 006

> <well>
E11

> <supplier_cmpd_name>
Miconazole nitrate

> <ctcr_id>
6047

> <supplier_cmpd_id>
T0344L

> <smiles>
O[N+]([O-])=O.Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1

> <pd_targets>
{MDH1,HIF1A,RECA,RECQL,CYP19A1,MAPT,CYP3A4,CYP2D6,CNR1,HTR1B,CYP51,PGR,CYP2J2,IDO1,ABCB1,AMPC,CYP1A2,AR,BCHE,CYP17A1,CYP2C19,CYP2C9,RORC,CYP121,HPL,ACHE,CYP8B1,LMNA,DNAB,KMT2A,MEN1,MAPK1,FFP,NPSR1,HTT
,USP2,TP53,GAA,GRM6,PTGS2,ABCB1B,ADORA1,ADORA3,ADRA2B,AGTR2,DRD2,MC3R,MC5R,OPRK1,FYN,SLC6A4,ABCB1A,CYP51A1,ADRA1D,DRD4,SLC6A3,CHRM1,HTR2A,ORAI1,CHRM4,HTR2B,ADRA2A,ADRB1,HRH2,CHRM2,CHRM3,OPRD1,EGFR,HTR
1A,HTR6,TBXAS1,IDO2,SLC6A2,MC4R,TACR2,ADRB3,OPRM1,DRD3,TACR1,CACNA1C,ADORA2A,ERBB2,HTR2C,TRPM2,TRPV5,ERG11,NOS3,NOS2,NR1I2,KCNMA1,KCNMB1,KCNMB2,KCNMB3,KCNMB4,KCNN1,KCNN2,KCNN3,KCNN4,KCNA1,KCNA10,KCNA2
,KCNA3,KCNA4,KCNA5,KCNA6,KCNAB1,KCNAB2,KCNB1,KCNB2,KCNC1,KCNC2,KCNC3,KCNC4,KCND1,KCND2,KCND3,KCNE1,KCNE2,KCNE3,KCNE4,KCNE5,KCNF1,KCNG1,KCNG2,KCNG3,KCNG4,KCNH1,KCNH2,KCNH3,KCNH4,KCNH5,KCNH6,KCNH7,KCNH8
,KCNQ1,KCNQ2,KCNQ3,KCNQ4,KCNQ5,KCNS1,KCNS3,KCNV1,KCNV2,KCNJ12,KCNJ14,KCNJ2,KCNJ4,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other cytosolic protein","Membrane receptor",Transporter,"Unclassified protein","Other nuclear protein","Epigenetic regulator","Ion channel",Oxidoreductase,"Cytochrome 
P450","Family A G protein-coupled receptor","Nuclear receptor","Primary active transporter",Hydrolase,Reader,Kinase,Transferase,Protease,"Family C G protein-coupled receptor","Electrochemical transpor
ter","Other ion channel","Voltage-gated ion channel","Cytochrome P450 family 19","Cytochrome P450 family 3","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Cytochrome P450 family
 51","Nuclear hormone receptor subfamily 3","ATP-binding cassette","Cytochrome P450 family 1","Cytochrome P450 family 17","Nuclear hormone receptor subfamily 1",Bromodomain,"Protein Kinase","Peptide r
eceptor (family A GPCR)","Cysteine protease","Small molecule receptor (family C GPCR)","SLC superfamily of solute carriers","Miscellaneous ion channel","Cytochrome P450 family 5","Voltage-gated calciu
m channel","Transient receptor potential channel","Cytochrome P450 family 19A","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Lipid-like ligand receptor (family A GPCR)","Monoamine receptor"
,"Cytochrome P450 family 51A","Nuclear hormone receptor subfamily 3 group C","ABCB subfamily","Cytochrome P450 family 1A","Cytochrome P450 family 17A","Cytochrome P450 family 2C","Nuclear hormone rece
ptor subfamily 1 group F","CMGC protein kinase group","Short peptide receptor (family A GPCR)","Cysteine protease CA clan","Neurotransmitter receptor (family C GPCR)","Nucleotide-like receptor (family
 A GPCR)","TK protein kinase group","SLC06 neurotransmitter transporter family","Ca2+ release-activated Ca2+ channel family","Cytochrome P450 family 5A","Nuclear hormone receptor subfamily 1 group I",
"Cytochrome P450 19A1","Cytochrome P450 3A4","Cytochrome P450 2D6","Cannabinoid receptor","Serotonin receptor","Cytochrome P450 51A1","Nuclear hormone receptor subfamily 3 group C member 3","Cytochrom
e P450 1A1","Nuclear hormone receptor subfamily 3 group C member 4","Cytochrome P450 17A1","Cytochrome P450 2C19","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group F member 3","CMGC pr
otein kinase MAPK family","Neuropeptide receptor","Cysteine protease C19 family","Metabotropic glutamate receptor","Adenosine receptor","Adrenergic receptor","Angiotensin receptor","Dopamine receptor"
,"Melanocortin receptor","Opioid receptor","Tyrosine protein kinase Src family","Acetylcholine receptor","Histamine receptor","Tyrosine protein kinase EGFR family","Cytochrome P450 5A1","Neurokinin re
ceptor","Nuclear hormone receptor subfamily 1 group I member 2","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","G protein-coupled receptors","1.13.11.- Dioxygenases","ATP-binding cassette transporter family","Nuclear hormone receptors","Acetylcho
line turnover","Kinases (EC 2.7.x.x)","Peptidases and proteinases","3.2.1.- Glycosidases","Eicosanoid turnover","Catalytic receptors","SLC superfamily of solute carriers","Other ion channels","Voltage
-gated ion channels","L-Arginine turnover",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","CYP3 family","CYP2 family: drug metabolising subset","Cannabinoid receptors","5-Hydroxytryptamine receptors","A
BCB subfamily","CYP1 family","Steroid hormone receptors","1F. Retinoic acid-related orphans",CYP5,"CYP7 and CYP8 families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","CA
: Cysteine (C) Peptidases","Metabotropic glutamate receptors",Cyclooxygenase,"Adenosine receptors",Adrenoceptors,"Angiotensin receptors","Dopamine receptors","Melanocortin receptors","Opioid receptors
","Receptor kinases","SLC6 neurotransmitter transporter family",CYP39,"CYP46 and CYP51 families","Acetylcholine receptors (muscarinic)","Store-operated ion channels","Histamine receptors","Tachykinin 
receptors","Voltage-gated calcium channels","Transient Receptor Potential channels","Nitric oxide synthases","1I. Vitamin D receptor-like receptors","3C. 3-Ketosteroid receptors","Mitogen-activated pr
otein kinases (MAP kinases)","C19: Ubiquitin-specific protease","TK: Tyrosine kinase","Monoamine transporter subfamily","Orai channels","ERK subfamily","Non-receptor tyrosine kinases (nRTKs)","Recepto
r tyrosine kinases (RTKs)","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Neuronal System","Signal Transduction","Gene expression (Transcription)","Cell Cycle","Immune System",Disease,Hemostasis,"Developmental Biology","
Transport of small molecules","Metabolism of proteins","Metabolism of carbohydrates","Cellular responses to stress","Biological oxidations","Transmission across Chemical Synapses","Metabolism of lipid
s","Signaling by GPCR","Metabolism of amino acids and derivatives","Abacavir transport and metabolism","RNA Polymerase II Transcription",Mitotic,"Innate Immune System","Infectious disease","Cell Cycle
 Checkpoints","Diseases of metabolism","Disorders of transmembrane transporters","Platelet homeostasis","Nervous system development","Ion channel transport","Signaling by Receptor Tyrosine Kinases","P
ost-translational protein modification","Glucose metabolism","Cellular response to hypoxia","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission"
,"Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","GPCR ligand binding","Tryptophan catabolism","Abacavir transmembrane transport","Generic Transcription Pathwa
y","Phospholipid metabolism","Metabolism of steroids","M Phase","Toll-like Receptor Cascades","Leishmania infection","G1/S DNA Damage Checkpoints","Diseases of carbohydrate metabolism","HIV Infection"
,"Neurotransmitter clearance","SLC transporter disorders","Platelet calcium homeostasis","Axon guidance","Stimuli-sensing channels","Signaling by VEGF","Infection with Mycobacterium tuberculosis",SUMO
ylation,Gluconeogenesis,"Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events"
,"Biosynthesis of DHA-derived SPMs","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX2","Glycerophospholipid biosynthesis","Metabolism of stero
id hormones","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Transcriptional Regulation by MECP2
","Transcriptional Regulation by TP53","p53-Dependent G1/S DNA damage checkpoint","Glycogen storage diseases","Biosynthesis of DPA-derived SPMs","Host Interactions of HIV factors","Serotonin clearance
 from the synaptic cleft","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Elevation of cytosolic Ca2+ levels","G alpha (q) signalling events","Defective SLC6A2 causes orthostatic in
tolerance (OI)","NCAM signaling for neurite out-growth","Semaphorin interactions","TRP channels","VEGFA-VEGFR2 Pathway","Response of Mtb to phagocytosis","SUMO E3 ligases SUMOylate target proteins","E
ndogenous sterols","Post NMDA receptor activation events","Biosynthesis of maresins",Xenobiotics,"Amine ligand-binding receptors","Fatty acids","RUNX2 regulates bone development","Synthesis of PC","An
drogen biosynthesis","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leishmania parasite infe
ction","Regulation of MECP2 expression and activity","Regulation of TP53 Activity","p53-Dependent G1 DNA Damage Response","Glycogen storage disease type II (GAA)","Biosynthesis of DPAn-3 SPMs","Nucleo
tide-like (purinergic) receptors","Peptide ligand-binding receptors","MECP2 regulates neuronal receptors and channels","The role of Nef in HIV-1 replication and disease pathogenesis","Gastrin-CREB sig
nalling pathway via PKC and MAPK",Eicosanoids,"Opioid Signalling","NCAM1 interactions","Sema4D in semaphorin signaling","VEGFR2 mediated vascular permeability","Suppression of phagosomal maturation","
SUMOylation of intracellular receptors","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Serotonin receptors","Aromatic amines can be N-hydroxylated or
 N-dealkylated by CYP1A2","RUNX2 regulates osteoblast differentiation","Sterols are 12-hydroxylated by CYP8B1","Nuclear Envelope (NE) Reassembly","MAP kinase activation","ADORA2B mediated anti-inflamm
atory cytokines production","Regulation of TP53 Expression and Degradation","Stabilization of p53","Adenosine P1 receptors",Adrenoceptors,"Dopamine receptors","Nef and signal transduction","Muscarinic
 acetylcholine receptors","EGFR Transactivation by Gastrin","Tachykinin receptors bind tachykinins","G-protein activation","Sema4D induced cell migration and growth-cone collapse","Inhibition of nitri
c oxide production","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Autodegradation of the E3 ubiquitin ligas
e COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{TRPM2,TRPV5}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{"Miconazole nitrate",22832-87-7,22832877,Andergin,Albistat,Aflorix,Conofite,Florid,Micatin,Gyno-Monistat,GynoMonistat,Epi-Monistat,EpiMonistat,Gyno-Daktar,GynoDaktar,"Miconazole (nitrate)",Brentan,Da
ktarin,Vusion,"Miconazole 7","Monistat 3","Monistat 5","Monistat 7","(+/-)-Miconazole ni","(+/)Miconazole ni",T0344L,SAM002264623,1500413,CPD000058733,"MICONAZOLE NITRATE"}

> <pdid>
PD009802

> <targets>
{Antibiotic,Bacterial,Fungal}

> <classes>
{antifungal (topical),Anti-infection}

> <pubchem_cids>
{68553}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 19  0  0  0  0            999 V2000
   11.3933    1.1235    0.0000 H   0  3
    8.8933    1.1235    0.0000 Cl  0  5
    6.3933    1.1235    0.0000 Cl  0  5
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 N   0  3
   -1.2935    3.7495    0.0000 C   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -2.5848    6.0040    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -3.8915    3.7585    0.0000 C   0  0
   -5.1932    3.0130    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 10 19  1  0
 19 20  1  0
 19 21  2  0
 21  7  1  0
M  CHG  4   1   1   2  -1   3  -1  12   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11402

> <plate>
PLATE 006

> <well>
F2

> <supplier_cmpd_name>
Amprolium Hydrochloride

> <ctcr_id>
4246

> <supplier_cmpd_id>
T0872L

> <smiles>
[H+].[Cl-].[Cl-].CCCc1ncc(C[n+]2ccccc2C)c(N)n1

> <pd_targets>
{SLC19A2,KDM4E,TGR,CASP1,LMNA,ALD}

> <pathway_gtopdb>
{Transporter,"Epigenetic regulator",Enzyme,"Other nuclear protein","Electrochemical transporter",Eraser,Protease,"SLC superfamily of solute carriers","Lysine demethylase","Cysteine protease","SLC19 fa
mily of vitamin transporters","Jumonji domain-containing","Cysteine protease CD clan","Cysteine protease C14 family"}

> <pathway_chembl>
{Transporters,Enzymes,"SLC superfamily of solute carriers","Chromatin modifying enzymes","Peptidases and proteinases","SLC19 family of vitamin transporters","1.14.11.- Histone demethylases","CD: Cyste
ine (C) Peptidases","C14: Caspase"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Cell Cycle","Metabolism of vitamins and cofactors","RNA Polymerase II Transcription",Mitotic,"Metabolism of water-soluble vitamins and cofactors","Generi
c Transcription Pathway","M Phase","Vitamin B1 (thiamin) metabolism","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","TP53 Regulates Transcription of Cell Death Genes","Mitotic A
naphase","TP53 Regulates Transcription of Caspase Activators and Caspases","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"thiamine uptake blocker"}

> <synonyms>
{"Amprolium hydrochloride",137-88-2,137882,amprolium,"Amprolium HCl",Amprol,Mepyrium,"Amprolium (hydrochloride)","Amprol 25","Amprol 25 per cent","Corid 20",Amprovine,UNII-95CO6N199Q,UNII95CO6N199Q,"a
mprolium chloride hydrochloride",95CO6N199Q,Corid,NC,T0872L,1500124,Prestw-8,"Amprolium Hydrochloride",AMPROLIUM}

> <pdid>
PD013111

> <targets>
{}

> <classes>
{coccidiostat}

> <pubchem_cids>
{8732,74764336}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  1  0  0  0
    1.3092    5.2494    0.0000 C   0  0  2  0  0  0
    0.0127    6.0039    0.0000 O   0  0
    2.6108    5.9949    0.0000 C   0  0  1  0  0  0
    2.6160    7.4949    0.0000 O   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2088    5.9860    0.0000 O   0  0
    3.9020    3.7405    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0  2  0  0  0
    2.5984    1.4941    0.0000 C   0  0
    3.8959    0.7415    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  6
  7  6  1  1
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  1  0
 15  7  1  0
 15 16  1  6
 16 17  1  0
  5 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  1  6
 20 22  1  0
 22  3  1  0
 22 23  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11403

> <plate>
PLATE 006

> <well>
F3

> <supplier_cmpd_name>
D-(+)-Maltose monohydrate

> <ctcr_id>
6640

> <supplier_cmpd_id>
T0584L

> <smiles>
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{alpha-Cellobiose,alphaCellobiose,"CELLOBIOSE (D(+))",alpha-D-cellobiose,alphaDcellobiose,4-O-beta-D-glucopyranosyl-alpha-D-glucopyranose,4ObetaDglucopyranosylalphaDglucopyranose,CHEBI:28676,cellobios
e,beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose,betaDglucopyranosyl(1>4)alphaDglucopyranose,CBK,CELLBIOSE,Spectrum_001154,Spectrum001154,Spectrum-001154,"Spectrum 001154",SpecPlus_000444,SpecPlus
000444,SpecPlus-000444,"SpecPlus 000444",Spectrum2_0,Spectrum20,Spectrum2-0,"Spectrum2 0",T5086,T0586,T1715,T2880,T0584L,T0584,1502231,"D-Lactose monohydrate",Lactose,Chitosan,D-Cellobiose,"D-(+)-Malt
ose monohydrate",Maltose}

> <pdid>
PD158816

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{441014}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6071    5.9984    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  5 11  2  0
 11 12  1  0
 12 13  2  0
 13  3  1  0
 13 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11404

> <plate>
PLATE 006

> <well>
F4

> <supplier_cmpd_name>
Ferulic Acid

> <ctcr_id>
3339

> <supplier_cmpd_id>
T2215

> <smiles>
COc1cc(\C=C\C(O)=O)ccc1O

> <pd_targets>
{MTCA1,CA9,CA13,CA3,CA1,MTCA2,CA12,KDM4E,CA14,CA7,CA5B,CA4,CA2,CA6,ALOX15,XDH,CA5A}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Lyase,Eraser,Oxidoreductase,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases","Chromatin modifying enzymes","Eicosanoid turnover","1.-.-.- Oxidoreductases","1.14.11.- Histone demethylases",Lipoxygenases}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"Immune System","Transport of small molecules","Cellular responses to stress","Reversible hydration of carbon dioxide","Cytokine Signaling in Immun
e system","O2/CO2 exchange in erythrocytes","Metabolism of lipids","Metabolism of nucleotides","Cellular response to hypoxia","Signaling by Interleukins","Erythrocytes take up carbon dioxide and relea
se oxygen","Biosynthesis of specialized proresolving mediators (SPMs)","Nucleobase catabolism","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 family signaling","Biosynthes
is of DPA-derived SPMs","Purine catabolism","Interleukin-12 signaling","Biosynthesis of DPAn-3 SPMs","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Biosynthesis 
of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{CA1,CA12,CA14,CA2,CA4,CA6,CA9}

> <broad_moa>
{antioxidant}

> <synonyms>
{"trans-Ferulic Acid","transFerulic Acid",1135-24-6,1135246,"4-Hydroxy-3-methoxycinnamic acid","4Hydroxy3methoxycinnamic acid",537-98-4,537984,"trans-4-Hydroxy-3-methoxycinnamic acid","trans4Hydroxy3m
ethoxycinnamic acid","3-(4-Hydroxy-3-methoxyphenyl)acrylic acid","3(4Hydroxy3methoxyphenyl)acrylic acid",ferulate,"(E)-Ferulic acid","(E)Ferulic acid","Coniferic acid",3-(4-Hydroxy-3-meth,3(4Hydroxy3m
eth,T2215,1501017,"Ferulic Acid","FERULIC ACID"}

> <pdid>
PD001909

> <targets>
{Endogenous Metabolite,FGFR,Bcl-2 Family,Ferroptosis,²-catenin}

> <classes>
{antineoplastic,choleretic,food preservative,Metabolic Enzyme/Protease,Protein Tyrosine Kinase/RTK,Apoptosis,Stem Cell/Wnt}

> <pubchem_cids>
{445858}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -3.8976    0.7553    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  6 10  1  0
 10 11  1  0
 10 12  2  0
 12  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11405

> <plate>
PLATE 006

> <well>
F5

> <supplier_cmpd_name>
Paeonol

> <ctcr_id>
4879

> <supplier_cmpd_id>
T2900

> <smiles>
COc1ccc(C(C)=O)c(O)c1

> <pd_targets>
{CYP3A4,HPGD,MAPK1,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450",Kinase,Oxidoreductase,"Cytochrome P450 family 3","Protein Kinase","Cytochrome P450 family 3A","CMGC protein kinase group","Cytochrome P450 3A4","CMGC protein kinase MAPK fami
ly","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Eicosanoid turnover","Kinases (EC 2.7.x.x)","CYP3 family","Prostaglandin synthases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP 
kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Metabolism of lipids","Innate Immune System","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Phase I - F
unctionalization of compounds","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Ethanol oxidation","Biosynthesis of maresins","Biosynthesis of D-series resolvins","MyD88 casca
de initiated on plasma membrane","Biosynthesis of maresin-like SPMs","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"anti-inflammatory agent"}

> <synonyms>
{PAEONOL,552-41-0,552410,2'-Hydroxy-4'-methoxyacetophenone,2'Hydroxy4'methoxyacetophenone,1-(2-Hydroxy-4-methoxyphenyl)ethanone,1(2Hydroxy4methoxyphenyl)ethanone,Peonol,2-Hydroxy-4-methoxyacetophenone
,2Hydroxy4methoxyacetophenone,1-(2-hydroxy-4-methoxyphenyl)ethan-1-one,1(2hydroxy4methoxyphenyl)ethan1one,"Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-","Ethanone, 1(2hydroxy4methoxyphenyl)","Resacetophen
one-4-methyl ether","Resacetophenone4methyl ether",MF,T2900,1601021,Paeonol}

> <pdid>
PD000445

> <targets>
{Autophagy,Monoamine Oxidase}

> <classes>
{antibacterial,Autophagy,Neuronal Signaling}

> <pubchem_cids>
{11092}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 44  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  2  0  0  0
    1.3092    5.2494    0.0000 C   0  0  1  0  0  0
    0.0127    6.0039    0.0000 O   0  0
    2.6108    5.9949    0.0000 C   0  0  2  0  0  0
    2.6160    7.4949    0.0000 O   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2080    5.9891    0.0000 C   0  0
    5.2111    7.4890    0.0000 O   0  0
    3.9020    3.7405    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0  1  0  0  0
    2.5984    1.4941    0.0000 O   0  0
    3.8966    0.7411    0.0000 C   0  0
    3.8968   -0.7589    0.0000 C   0  0
    5.1959   -1.5089    0.0000 C   0  0
    5.1959   -3.0089    0.0000 O   0  0
    6.4949   -0.7588    0.0000 C   0  0
    7.7962   -1.5065    0.0000 C   0  0
    7.7989   -3.0065    0.0000 O   0  0
    9.0948   -0.7542    0.0000 C   0  0
   10.3962   -1.5019    0.0000 C   0  0
   11.6948   -0.7495    0.0000 C   0  0
   12.9966   -1.4949    0.0000 C   0  0
   14.2930   -0.7404    0.0000 C   0  0
   14.2877    0.7596    0.0000 C   0  0
   15.5841    1.5141    0.0000 O   0  0
   12.9860    1.5051    0.0000 C   0  0
   11.6896    0.7505    0.0000 C   0  0
    6.4948    0.7412    0.0000 C   0  0
    7.7938    1.4912    0.0000 O   0  0
    5.1957    1.4911    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  6
  6  5  1  6
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  1
 12 13  1  0
 11 14  1  0
 14 15  1  0
 15  6  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 26  1  0
 21 33  1  0
 33 34  1  0
 33 35  2  0
 35 17  1  0
  4 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  1
 38 40  1  0
 40  2  1  0
 40 41  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11406

> <plate>
PLATE 006

> <well>
F6

> <supplier_cmpd_name>
Naringin

> <ctcr_id>
7493

> <supplier_cmpd_id>
T0595

> <smiles>
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c(C(=O)CCc4ccc(O)cc4)c(O)c3)[C@H](O)[C@H](O)[C@H]1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{"naringin dihydrochalcone",18916-17-1,18916171,UNII-7233QDO0QW,UNII7233QDO0QW,7233QDO0QW,"FEMA no. 4495",naringin-dihydrochalcone,naringindihydrochalcone,"EC 700-320-7","EC 7003207",SCHEMBL3119273,"P
hloretin, 4'-(2-O-alpha-L-rhamno-beta-D-glucopyranoside)","Phloretin, 4'(2OalphaLrhamnobetaDglucopyranoside)",HY-N0119,HYN0119,"naringin dihydrochalco",S2389,"Naringin Dihydrochalcone",Naringin}

> <pdid>
PD021641

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{9894584}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 58 61  0  0  1  0            999 V2000
    7.7273    1.5699    0.0000 C   0  0
    6.6012    0.5790    0.0000 C   0  0
    5.1755    1.0398    0.0000 C   0  0  1  0  0  0
    2.0369   -0.8553    0.0000 O   0  0
    1.9056   -6.1149    0.0000 C   0  0
    0.8731   -7.2030    0.0000 O   0  0
    3.1012   -6.0222    0.0000 C   0  0  2  0  0  0
    4.2341   -7.0053    0.0000 C   0  0
    3.0192   -4.7402    0.0000 C   0  0  1  0  0  0
    1.6883   -4.0414    0.0000 O   0  0
    0.4189   -4.8421    0.0000 C   0  0  1  0  0  0
    0.4741   -6.3411    0.0000 C   0  0
   -0.7964   -7.1384    0.0000 C   0  0  1  0  0  0
   -2.0861   -7.9044    0.0000 C   0  0
    0.5287   -7.7985    0.0000 O   0  0
    0.6584   -9.2929    0.0000 C   0  0
   -2.1222   -6.4368    0.0000 C   0  0  1  0  0  0
   -3.3927   -7.2342    0.0000 O   0  0
   -2.1775   -4.9379    0.0000 C   0  0  2  0  0  0
   -3.5033   -4.2363    0.0000 C   0  0
   -0.9070   -4.1405    0.0000 O   0  0
    4.0230   -4.0908    0.0000 C   0  0  2  0  0  0
    5.3686   -4.7537    0.0000 C   0  0
    3.9276   -2.9167    0.0000 C   0  0  1  0  0  0
    2.4313   -2.7676    0.0000 O   0  0
    1.8127   -1.4002    0.0000 C   0  0  2  0  0  0
    2.6895   -0.1831    0.0000 O   0  0
    2.0740    1.1848    0.0000 C   0  0  2  0  0  0
    2.9509    2.4018    0.0000 C   0  0
    0.5816    1.3357    0.0000 C   0  0
   -0.2953    0.1187    0.0000 C   0  0  1  0  0  0
    0.3203   -1.2492    0.0000 C   0  0  1  0  0  0
   -0.5566   -2.4662    0.0000 O   0  0
   -1.7888    0.2666    0.0000 N   0  0
   -2.6639   -0.9517    0.0000 C   0  0
   -2.4067    1.6334    0.0000 C   0  0
    4.9190   -2.2614    0.0000 C   0  0  2  0  0  0
    3.5555   -1.6363    0.0000 C   0  0
    6.1829   -1.4536    0.0000 O   0  0
    5.8940   -2.7268    0.0000 C   0  0
    6.7389   -2.1388    0.0000 C   0  0  1  0  0  0
    8.0627   -2.8441    0.0000 C   0  0
    6.7621   -0.7163    0.0000 C   0  0  2  0  0  0
    7.8658   -0.8161    0.0000 N   0  0
    8.4231    0.0159    0.0000 C   0  0  1  0  0  0
    9.9160   -0.1798    0.0000 C   0  0
   10.4914   -1.5659    0.0000 O   0  0
   11.9794   -1.7616    0.0000 C   0  0
   12.5547   -3.1478    0.0000 C   0  0
   14.0428   -3.3435    0.0000 O   0  0
   14.6178   -4.7289    0.0000 C   0  0
    7.9917    1.0453    0.0000 O   0  0
    6.9533    1.1062    0.0000 C   0  0  2  0  0  0
    6.3446    0.2302    0.0000 C   0  0  1  0  0  0
    4.8515    0.3738    0.0000 C   0  0
    6.0722    1.6564    0.0000 C   0  0  1  0  0  0
    7.3688    2.4107    0.0000 C   0  0
    4.7436    2.3528    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  1
 11 10  1  1
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  6
 19 21  1  0
 21 11  1  0
  9 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  1
 26 25  1  1
 26 27  1  0
 27 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 26  1  0
 32 33  1  6
 31 34  1  1
 34 35  1  0
 34 36  1  0
 24 37  1  0
 37 38  1  1
 37 39  1  0
 37 40  1  0
 40 41  1  0
 41 42  1  6
 41 43  1  0
 43 44  1  1
 44 45  1  0
 45 46  1  6
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 45 52  1  0
 53 52  1  6
 53 54  1  0
 54 43  1  0
 54 55  1  6
 53 56  1  0
 56  3  1  0
 56 57  1  6
 56 58  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11407

> <plate>
PLATE 006

> <well>
F7

> <supplier_cmpd_name>
Dirithromycin

> <ctcr_id>
3054

> <supplier_cmpd_id>
T0971

> <smiles>
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O

> <pd_targets>
{KMT2A,MEN1,LMNA,XIAP}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein","Other cytosolic protein",Reader,Bromodomain}

> <pathway_chembl>
{"Other protein targets","Inhibitors of apoptosis (IAP) protein family"}

> <pathway_reactome>
{"Cell Cycle","Programmed Cell Death",Mitotic,Apoptosis,"M Phase","Intrinsic Pathway for Apoptosis","Mitotic Metaphase and Anaphase","Apoptotic factor-mediated response","Mitotic Anaphase","Cytochrome
 c-mediated apoptotic response","Nuclear Envelope (NE) Reassembly","Formation of apoptosome","Initiation of Nuclear Envelope (NE) Reformation","Regulation of the apoptosome activity"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial 50S ribosomal subunit inhibitor"}

> <synonyms>
{Noriclan,Valodin,"CCRIS 9506",NCGC00178154-03,NCGC0017815403,Dirithromycin,62013-04-1,62013041,Dirithromycine,Dirithromycinum,Diritromicina,Dynabac,"LY 237216",LY-237216,LY237216,UNII-1801D76STL,UNII
1801D76STL,MLS000028564,SMR000058954,MLS001074061,CHEBI:474014,1801D76STL,MFCD00865041,C42,1504144,Prestw-557,DIRITHROMYCIN}

> <pdid>
PD001262

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{6473883}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 64 71  0  0  1  0            999 V2000
   -1.2767   -0.0540    0.0000 C   0  0
    0.0200    0.7000    0.0000 C   0  0  1  0  0  0
    1.2500    0.0000    0.0000 C   0  0
    1.2500   -1.6800    0.0000 C   0  0
    2.4800   -2.4800    0.0000 C   0  0
    2.4800   -4.1900    0.0000 C   0  0
    1.2500   -4.9900    0.0000 C   0  0
    1.2500   -6.5900    0.0000 O   0  0
    3.7100   -6.5900    0.0000 C   0  0  1  0  0  0
    3.7100   -4.9900    0.0000 C   0  0  2  0  0  0
    4.9400   -4.1900    0.0000 C   0  0  1  0  0  0
    6.1800   -4.9900    0.0000 C   0  0
    6.1800   -6.5900    0.0000 C   0  0
    4.9400   -7.5000    0.0000 C   0  0  1  0  0  0
    4.9371   -9.0000    0.0000 O   0  0
    7.5181   -7.2678    0.0000 C   0  0
    4.9400   -2.4800    0.0000 C   0  0
    3.6228   -1.7623    0.0000 O   0  0
    6.1800   -1.6800    0.0000 O   0  0
    6.1800    0.0000    0.0000 C   0  0  1  0  0  0
    4.9400    0.7000    0.0000 C   0  0
    4.9400    2.4100    0.0000 C   0  0  1  0  0  0
    3.7100    3.2100    0.0000 C   0  0
    2.4800    2.4100    0.0000 C   0  0
    1.2500    3.2100    0.0000 C   0  0
    0.0200    2.4100    0.0000 C   0  0  1  0  0  0
   -1.2647    3.1854    0.0000 O   0  0
   -1.2351    4.6859    0.0000 C   0  0  1  0  0  0
   -2.5181    5.4633    0.0000 C   0  0
   -2.4864    6.9630    0.0000 C   0  0  1  0  0  0
   -1.1719    7.6854    0.0000 C   0  0  2  0  0  0
    0.1111    6.9081    0.0000 C   0  0  1  0  0  0
    0.0794    5.4085    0.0000 O   0  0
    1.4256    7.6306    0.0000 C   0  0
   -1.1433    9.1860    0.0000 O   0  0
   -2.4280    9.9618    0.0000 C   0  0  1  0  0  0
   -2.4016   11.4616    0.0000 C   0  0
   -3.6873   12.2344    0.0000 C   0  0  1  0  0  0
   -4.9993   11.5074    0.0000 C   0  0  2  0  0  0
   -5.0258   10.0076    0.0000 C   0  0  1  0  0  0
   -3.7402    9.2348    0.0000 O   0  0
   -6.3378    9.2807    0.0000 C   0  0
   -6.2849   12.2802    0.0000 O   0  0
   -3.6577   13.7349    0.0000 O   0  0
   -2.3446   14.4600    0.0000 C   0  0
   -3.7717    7.7380    0.0000 O   0  0
   -5.0852    7.0137    0.0000 C   0  0
    1.2500    4.7100    0.0000 C   0  0
    6.1800    3.2100    0.0000 O   0  0
    7.4100    2.4100    0.0000 C   0  0  2  0  0  0
    7.4100    0.7000    0.0000 C   0  0
    7.4100    4.0000    0.0000 C   0  0
    8.6400    4.8000    0.0000 C   0  0
    9.8600    4.0000    0.0000 C   0  0  1  0  0  0
    9.8600    2.4100    0.0000 C   0  0  2  0  0  0
    8.6400    1.6100    0.0000 O   0  0
   11.1805    1.6968    0.0000 C   0  0
   11.1944    0.1953    0.0000 C   0  0
   12.5002   -0.5430    0.0000 C   0  0
   13.7924    0.2187    0.0000 C   0  0
   13.7789    1.7186    0.0000 C   0  0
   12.4732    2.4569    0.0000 C   0  0
   11.1798    4.7128    0.0000 C   0  0
    2.3915   -5.7053    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  9  8  1  1
  9 10  1  0
 10  6  1  0
 10 11  1  0
 11 12  1  6
 12 13  2  3
 13 14  1  0
 14  9  1  0
 14 15  1  1
 13 16  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
 20 19  1  1
 20 21  1  0
 22 21  1  1
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26  2  1  0
 26 27  1  6
 28 27  1  1
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 32 34  1  6
 31 35  1  1
 36 35  1  6
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 36  1  0
 40 42  1  1
 39 43  1  6
 38 44  1  1
 44 45  1  0
 30 46  1  6
 46 47  1  0
 25 48  1  0
 22 49  1  0
 50 49  1  6
 50 51  1  0
 51 20  1  0
 50 52  1  0
 52 53  2  3
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 50  1  0
 55 57  1  1
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 61 62  1  0
 62 57  1  0
 54 63  1  6
 10 64  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11408

> <plate>
PLATE 006

> <well>
F8

> <supplier_cmpd_name>
Doramectin

> <ctcr_id>
10991

> <supplier_cmpd_id>
T0969

> <smiles>
C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C8CCCCC
8)C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Doramectin,117704-25-3,117704253,UNII-KGD7A54H5P,UNIIKGD7A54H5P,KGD7A54H5P,"UK-67,994","UK67,994",Doramectina,Doramectine,Doramectinum,"Doramectine (INN-French)","Doramectine (INNFrench)","Doramectin
um (INN-Latin)","Doramectinum (INNLatin)","Doramectina (INN-Spanish)","Doramectina (INNSpanish)","Doramectin (USAN:INN:BAN)","HSDB 7452",NCGC00185761-01,NCGC0018576101,C50H74O,T0969}

> <pdid>
PD012887

> <targets>
{Antiparasitic}

> <classes>
{Others}

> <pubchem_cids>
{9832750}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11409

> <plate>
PLATE 006

> <well>
F9

> <supplier_cmpd_name>
Isoniazid

> <ctcr_id>
2919

> <supplier_cmpd_id>
T0972

> <smiles>
NNC(=O)c1ccncc1

> <pd_targets>
{FOLA,CYP3A4,CYP2D6,CYP1A2,MPO,CYP2C19,MYMA,FFP,CYP2A6,RORC,INHA,KATG}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Oxidoreductase,"Cytochrome P450",Transferase,"Nuclear receptor","Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 family 1","Nuclear hormone recepto
r subfamily 1","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Cytochrome P450 family 2A","Nuclear hormone receptor subfamily 1 group F
","Cytochrome P450 3A4","Cytochrome P450 2D6","Cytochrome P450 1A1","Cytochrome P450 2C19","Cytochrome P450 2A6","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","1.-.-.- Oxidoreductases","Nuclear hormone receptors","CYP3 family","CYP2 family: drug metabolising subset","CYP1 family","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,"Immune System","Gene expression (Transcription)",Disease,"Metabolism of lipids","Biological oxidations","Innate Immune System","RNA Polymerase II Transcription","Infectious disease","Bios
ynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","ROS and RNS production in phagocytes","Generic Transcription Pathway","Infection with Mycobacterium t
uberculosis","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Events associated with phagocytolytic activity of PMN cells","Transcriptional regulation by RUNX3","Late
nt infection - Other responses of Mtb to phagocytosis","Biosynthesis of maresins",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","Tolerance of reactive oxygen produced by macrophages
","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{CYP1A2,CYP2C19,CYP2C8,CYP2E1,CYP3A4}

> <broad_moa>
{"FABI inhibitor"}

> <synonyms>
{54-85-3,54853,"Isonicotinic acid hydrazide",Isonicotinohydrazide,pyridine-4-carbohydrazide,pyridine4carbohydrazide,Isoniazide,Nydrazid,Rimifon,"Isonicotinic hydrazide",Laniazid,Isonicotinylhydrazine,
Andrazide,Cotinazin,Dinacrin,Hydrazid,Neoteben,Nicizina,Nicotibina,T0972,SAM002554904,1500355,Prestw-161,Isoniazid,CPD000059082,ISONIAZID}

> <pdid>
PD001926

> <targets>
{Antibiotic,Autophagy,Bacterial,Mitophagy}

> <classes>
{tuberculostatic,antibacterial,Anti-infection,Autophagy}

> <pubchem_cids>
{3767}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11  2  1  0
 11 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11410

> <plate>
PLATE 006

> <well>
F10

> <supplier_cmpd_name>
Pyridoxine

> <ctcr_id>
4871

> <supplier_cmpd_id>
T0973

> <smiles>
Cc1ncc(CO)c(CO)c1O

> <pd_targets>
{HPGD,HSD17B10,KDM4E,ALDH1A1,LMNA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Oxidoreductase,Eraser,"Lysine demethylase","Jumonji domain-containing","Other nuclear protein"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Chromatin modifying enzymes","Prostaglandin synthases","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of amino acids and derivatives","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism
","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Biosynthesis of D-series resolvins","Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase"
,"Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{DDC,PDXK}

> <broad_moa>
{"vitamin B"}

> <synonyms>
{pyridoxine,65-23-6,65236,"vitamin B6",Pyridoxol,Gravidox,Pyridoxin,"3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine","3hydroxy4,5bis(hydroxymethyl)2methylpyridine",Hydoxin,Adermine,Pyridoxolum,"3,4
-Pyridinedimethanol, 5-hydroxy-6-methyl-","3,4Pyridinedimethanol, 5hydroxy6methyl","5-Hydroxy-6-methyl-3,4-pyridinedimethanol","5Hydroxy6methyl3,4pyridinedimethanol",4,5-bis(hyd,5bis(hyd,T3O2784,T0973
,1505453,"Vitamin B6",Pyridoxine,PYRIDOXINE}

> <pdid>
PD010192

> <targets>
{Vitamin}

> <classes>
{"enzyme cofactor","vitamin B6"}

> <pubchem_cids>
{1054}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    7.0533   -0.4702    0.0000 O   0  0
    6.4430   -1.8405    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.8089   -4.6669    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16  9  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11411

> <plate>
PLATE 006

> <well>
F11

> <supplier_cmpd_name>
Floxuridine

> <ctcr_id>
2655

> <supplier_cmpd_id>
T0964

> <smiles>
OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O

> <pd_targets>
{SMN1,MAPT,TMK,TK1,ALDH1A1,TP53,CHRM1,KMT2A,MEN1,MTOR,TYMS,LMNA,TGR,SKA,UL23}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Enzyme,"Transcription factor","Membrane receptor",Reader,Transferase,Oxidoreductase,"Family A G protein-coupled receptor",Kinase,"Methyl-lysine/argini
ne binding protein","Small molecule receptor (family A GPCR)",Bromodomain,"Protein Kinase","Tudor domain","Monoamine receptor","Atypical protein kinase group","Acetylcholine receptor","Atypical protei
n kinase PIKK family","Atypical protein kinase FRAP subfamily","Other nuclear protein"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Acetylcholine receptors (muscarinic)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"
,"2.1.1.- Methyltransferases"}

> <pathway_reactome>
{"Metabolism of RNA","Neuronal System","Cell Cycle",Metabolism,"Signal Transduction","Gene expression (Transcription)","Metabolism of non-coding RNA","Transmission across Chemical Synapses",Mitotic,"B
iological oxidations","Cell Cycle Checkpoints","Signaling by GPCR","RNA Polymerase II Transcription","snRNP Assembly","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G1 phas
e and G1/S transition","Phase I - Functionalization of compounds","G1/S DNA Damage Checkpoints","GPCR ligand binding","Generic Transcription Pathway","Activation of NMDA receptors and postsynaptic eve
nts","G1/S Transition","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by TP53","Post NMDA receptor activation events"
,"G1/S-Specific Transcription","p53-Dependent G1 DNA Damage Response","Amine ligand-binding receptors","Regulation of TP53 Activity","Activation of AMPK downstream of NMDARs","Stabilization of p53","M
uscarinic acetylcholine receptors","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","M Phase","Mitotic Metaphase and A
naphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA directed DNA polymerase inhibitor","DNA synthesis inhibitor"}

> <synonyms>
{5-Fluoro-2'-deoxyuridine,5Fluoro2'deoxyuridine,"5 Fluoro 2' deoxyuridine",Floxuridin,FdUrd,Deoxyfluorouridine,"NSC 27640","Uridine, 2'-deoxy-5-fluoro-","Uridine, 2'deoxy5fluoro","Uridine, 2' deoxy 5 
fluoro",2968-28-7,2968287,"2968 28 7",5-FUD,5FUD,27640,SAM002589947,Floxuridine,CPD001496941}

> <pdid>
PD001094

> <targets>
{}

> <classes>
{"Thymidylate synthetase inhibitor"}

> <pubchem_cids>
{3363}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 30  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
   -0.1847   -6.2530    0.0000 N   0  0
   -0.7948   -7.6233    0.0000 C   0  0
   -0.1846   -8.9924    0.0000 C   0  0
   -1.0662  -10.2059    0.0000 C   0  0
   -2.5580  -10.0491    0.0000 C   0  0
   -3.1681   -8.6788    0.0000 C   0  0
   -2.2866   -7.4665    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 15  1  0
 23 18  1  0
 16 24  1  0
 24 12  1  0
 24 25  1  0
 25 26  1  0
 26  5  1  0
 26 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11412

> <plate>
PLATE 006

> <well>
G2

> <supplier_cmpd_name>
Yohimbine hydrochloride

> <ctcr_id>
1746

> <supplier_cmpd_id>
T2142

> <smiles>
COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12

> <pd_targets>
{HTR1B,HTR1F,HTR2B,HTR5A,ADRA2C,ADRA2A,ADRA2B,HTR2A,HTR1D,CYP2D6,ADRA1A,ADRA1B,ADRA1D,CACNA1C,TOP1,HTR7,DRD2,HTR1E,HTR1A,SCN1A,SCN2A,SCN3A,DRD1,DRD3,DRD4,DRD5,CDC25A,THRB,PMP22,HPGD,MTOR,HTR6,HTR2C,KC
NJ1,KCNJ10,KCNJ11,KCNJ12,KCNJ14,KCNJ15,KCNJ8,KMT2A,MEN1,MAPT,NS1,ALD,KDM4E,TGR,ALDH1A1,CHRM1,CYP1A2,NFKB1,CYP3A4,IMPA1,LMNA,TSHR,HIF1A,AMPC,ADORA2B,BLM,BCHE}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Ion channel","Transcription factor","Unclassified protein","Family A G protein-coupled receptor","Cytochrome P450","Voltage-gated ion channel",Isomerase,Phosphatase,"Nucle
ar receptor",Kinase,"Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Voltage-gated calcium channel","Voltage-gated sodium channel","Protein Phosphatase","Nuclear hormone receptor 
subfamily 1","Protein Kinase","Monoamine receptor","Cytochrome P450 family 2D","Serine/threonine/tyrosine protein phosphatase","Nuclear hormone receptor subfamily 1 group A","Atypical protein kinase g
roup","Serotonin receptor","Adrenergic receptor","Cytochrome P450 2D6","Dopamine receptor","Nuclear hormone receptor subfamily 1 group A member 2","Atypical protein kinase PIKK family","Atypical prote
in kinase FRAP subfamily","Epigenetic regulator","Other cytosolic protein","Other nuclear protein",Reader,Eraser,Oxidoreductase,Hydrolase,Bromodomain,"Lysine demethylase","Cytochrome P450 family 1","C
ytochrome P450 family 3","Peptide receptor (family A GPCR)","Jumonji domain-containing","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Glycohormone receptor","Acetylcholine receptor","Cytoch
rome P450 1A1","Cytochrome P450 3A4","Nucleotide-like receptor (family A GPCR)","Adenosine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","Cytochrome P450","Voltage-gated ion channels","DNA topoisomerases","Nuclear hormone receptors","Eicosanoid turnover","Kinases (EC 2.7.x
.x)","5-Hydroxytryptamine receptors",Adrenoceptors,"CYP2 family: drug metabolising subset","Voltage-gated calcium channels","Dopamine receptors","1A. Thyroid hormone receptors","Prostaglandin synthase
s",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily","Chromatin modifying enzymes","Inositol phosphate turnover","1.14.11.- Histone demethylases","Acetylcholine
 receptors (muscarinic)","CYP1 family","CYP3 family","Inositol monophosphatase","Glycoprotein hormone receptors","Acetylcholine turnover","Adenosine receptors"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Developmental Biology","Metabolism of proteins",Disease,"Cell Cycle","Gene expression (Transcription)","Signaling by GPCR","Biological oxidations","Nervous system de
velopment","Post-translational protein modification","Infectious disease","Cell Cycle Checkpoints","Metabolism of lipids","RNA Polymerase II Transcription","GPCR ligand binding","Phase I - Functionali
zation of compounds","Axon guidance",SUMOylation,"Leishmania infection","G1/S DNA Damage Checkpoints","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of specialized pror
esolving mediators (SPMs)","Generic Transcription Pathway","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","NCAM signaling for neurite out-growth","SUMO E3 ligase
s SUMOylate target proteins","Leishmania parasite growth and survival","p53-Independent G1/S DNA damage checkpoint","Biosynthesis of DHA-derived SPMs","Transcriptional Regulation by TP53","Amine ligan
d-binding receptors",Xenobiotics,"NCAM1 interactions","SUMOylation of DNA replication proteins","Anti-inflammatory response favouring Leishmania parasite infection","p53-Independent DNA Damage Respons
e","SUMOylation of intracellular receptors","Biosynthesis of D-series resolvins","Regulation of TP53 Activity","Serotonin receptors",Adrenoceptors,"CYP2E1 reactions","ADORA2B mediated anti-inflammator
y cytokines production","Dopamine receptors","Ubiquitin Mediated Degradation of Phosphorylated Cdc25A","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation","Neuronal System
","Immune System","Cellular responses to external stimuli","Transmission across Chemical Synapses","Cytokine Signaling in Immune system","Inositol phosphate metabolism",Mitotic,"Cellular responses to 
stress","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by Interleukins","Synthesis of IP2",IP,"and Ins in the cytosol","M Phase","Cellular response to hypoxia","Activatio
n of NMDA receptors and postsynaptic events","Ethanol oxidation","Interleukin-1 family signaling","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor A
lpha","Post NMDA receptor activation events","Interleukin-1 signaling","Biosynthesis of maresins","Mitotic Anaphase","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","Aro
matic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclea
r Envelope (NE) Reformation","DNA Repair","DNA Double-Strand Break Repair","Homology Directed Repair","Phospholipid metabolism","HDR through Homologous Recombination (HRR) or Single Strand Annealing (
SSA)","Glycerophospholipid biosynthesis","HDR through Homologous Recombination (HRR)","Synthesis of PC","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and st
rand exchange"}

> <broad_targets>
{ADRA2A,ADRA2B,ADRA2C,DRD2,DRD3,HTR1A,HTR1B,HTR1D,HTR1E,HTR1F,HTR2A,HTR2B,HTR2C,HTR5A,HTR7,KCNJ1,KCNJ10,KCNJ11,KCNJ12,KCNJ14,KCNJ15,KCNJ8}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{beta-Yohimbine,betaYohimbine,549-84-8,549848,Isorauhimbin,NSC407306,CHEBI:48565,"methyl 17-hydroxy-20xi-yohimban-16-carboxylate","methyl 17hydroxy20xiyohimban16carboxylate","3-Epirauwolscine; 3-epi-R
auwolscine","3Epirauwolscine; 3epiRauwolscine","Methyl 17-hydroxyyohimban-16-carboxylate","Methyl 17hydroxyyohimban16carboxylate",alpha-Yohimbine;Corynanthidine;Isoyohimbine,alphaYohimbine;Corynanthid
ine;Isoyohimbine,483-09-0,483090,Cor,T2142,T4429,"NSC 407306","Yohimbine hydrochloride","Rauwolscine hydrochloride",Rauhimbin}

> <pdid>
PD001539

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2866}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 20  0  0  1  0            999 V2000
   10.2003   -1.3601    0.0000 Cl  0  5
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -2.5800   -0.0305    0.0000 O   0  0
   -1.2638    2.2496    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 S   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5523   -4.4208    0.0000 S   0  0
   -1.8019   -5.7196    0.0000 N   0  0
   -4.0523   -4.4218    0.0000 O   0  0
   -3.3017   -5.7202    0.0000 O   0  0
    7.7003   -1.3601    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16  5  1  0
 16 12  2  0
 14 17  1  0
 17 18  1  0
 17 19  2  0
 17 20  2  0
M  CHG  2   1  -1  21   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11413

> <plate>
PLATE 006

> <well>
G3

> <supplier_cmpd_name>
Dorzolamide hydrochloride

> <ctcr_id>
5885

> <supplier_cmpd_id>
T2134

> <smiles>
[Cl-].CCN[C@H]1C[C@H](C)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O.[H+]

> <pd_targets>
{AMPC,CA1,CA2,CA9,CA13,CA4,CA12,CA14,CA7,CYNT,CA6,MTCA1,1272966,CA5A,CA15,CA5B,CA3,NCE103,MTCA2,TSHR,LMNA}

> <pathway_gtopdb>
{Enzyme,Hydrolase,Lyase,"Membrane receptor","Other nuclear protein","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Glycohormone receptor"}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases",Receptors,"G protein-coupled receptors","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Immune System","Transport of small molecules","Cellular responses to external stimuli",Metabolism,"Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","Cellular responses to stres
s","Reversible hydration of carbon dioxide","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","Interleukin-12 family signaling","Regul
ation of gene expression by Hypoxia-inducible Factor","Interleukin-12 signaling","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation",Disease,"Cell Cycle","Infectious d
isease",Mitotic,"Leishmania infection","M Phase","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Mitoti
c Anaphase","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CA1,CA12,CA14,CA2,CA4,CA7}

> <broad_moa>
{"carbonic anhydrase inhibitor"}

> <synonyms>
{RESTW111,CHEBI:4703,s1375,"DORZOLAMIDE HYDROCHLORIDE",130693-82-2,130693822,"Dorzolamide HCl",Trusopt,Cosopt,"Dorzolomide hydrochloride","Dorzolamide (hydrochloride)",UNII-QZO5366EW7,UNIIQZO5366EW7,M
K-507,MK507,QZO5366EW7,"Trusopt (TN)",DSSTox_CID_25530,DSSToxCID25530,DSSTox-CID-25530,"DSSTox CID 25530",DSSTox_RID_80933,DSSToxRID80933,DSSTox-RID-80933,"DSSTox RID 80933",DSSTox_GSID_,DSSToxGSID,DS
STox-GSID-,"DSSTox GSID",T2134,Prestw-1116,"Dorzolamide hydrochloride"}

> <pdid>
PD009676

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{46878360,6918132}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    2.5981    0.0000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0  2  0  0  0
    2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
    3.8971   -0.7500    0.0000 C   0  0
    5.1962   -1.5000    0.0000 C   0  0
    5.1962   -3.0000    0.0000 C   0  0  1  0  0  0
    6.1061   -2.5853    0.0000 C   0  0
    3.8971   -3.7500    0.0000 C   0  0  1  0  0  0
    4.2297   -5.2071    0.0000 C   0  0
    5.7224   -5.3544    0.0000 C   0  0
    6.3238   -3.9802    0.0000 C   0  0  2  0  0  0
    6.6076   -3.0213    0.0000 O   0  0
    7.3163   -5.0884    0.0000 C   0  0
    8.3343   -6.1901    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  2  1  0
  8  9  1  0
  9 10  1  0
 11 10  1  6
 11 12  1  0
 12  2  1  0
 12 13  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  1
 15 17  1  0
 17 11  1  0
 17 18  1  1
 18 19  1  0
 19 20  1  0
 20 15  1  0
 20 21  1  1
 20 22  1  0
 22 23  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11414

> <plate>
PLATE 006

> <well>
G4

> <supplier_cmpd_name>
Ethisterone

> <ctcr_id>
5549

> <supplier_cmpd_id>
T0301

> <smiles>
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)C#C

> <pd_targets>
{KMT2A,MEN1,PGR,SHBG,AR,PPO2,LMNA,NR3C1}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor","Secreted protein",Enzyme,"Other nuclear protein",Reader,"Nuclear receptor",Oxidoreductase,Bromodomain,"Nuclear hormone receptor subfamily 3","Nuclear ho
rmone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member
 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","RNA Polymerase II Transcription",Mitotic,"Generic Transcription Pathway","M Phase","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphas
e","FOXO-mediated transcription","RUNX2 regulates bone development","Mitotic Anaphase","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","RUNX2 regulates osteoblast diff
erentiation","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TYR}

> <broad_moa>
{"progestogen hormone"}

> <synonyms>
{ethisterone,434-03-7,434037,Aethisteron,17alpha-Ethynyltestosterone,17alphaEthynyltestosterone,Pregneninolone,Anhydrohydroxyprogesterone,Ethynyltestosterone,Aethisteronum,Ethisteronum,Etisterona,Nuge
storal,Progestoral,UNII-P201BVY1MJ,UNIIP201BVY1MJ,17alpha-Ethinyltestosterone,17alphaEthinyltestosterone,Anhydroxyprogest,Prestw-261,Ethisterone}

> <pdid>
PD001042

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5284557}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 47  0  0  1  0            999 V2000
   10.2876    2.6226    0.0000 Na  0  3
    7.7827    2.5211    0.0000 C   0  0
    7.7876    1.5211    0.0000 O   0  0
    6.4920    0.7636    0.0000 C   0  0  2  0  0  0
    5.1903    1.5091    0.0000 C   0  0  1  0  0  0
    5.1882    3.0099    0.0000 O   0  0
    6.4865    3.7630    0.0000 C   0  0
    7.3533    3.2645    0.0000 N   0  0
    6.4844    5.2630    0.0000 O   0  0
    3.8939    0.7546    0.0000 C   0  0  1  0  0  0
    2.5923    1.5001    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 N   0  0
   -6.4971    0.7454    0.0000 C   0  0
   -6.4945   -0.7546    0.0000 O   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -9.0975    0.7432    0.0000 C   0  0
  -10.3966    1.4932    0.0000 C   0  0
  -10.3966    2.9932    0.0000 C   0  0
  -11.6957    3.7431    0.0000 O   0  5
   -9.0976    3.7432    0.0000 C   0  0
   -9.0945    5.2440    0.0000 C   0  0
   -7.7937    5.9926    0.0000 C   0  0
   -7.7907    7.4934    0.0000 C   0  0
   -6.4906    8.2416    0.0000 C   0  0
   -9.0885    8.2457    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    5.2007   -1.4909    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.7754    0.0485    0.0000 C   0  0
    6.4671   -2.2361    0.0000 C   0  0
  2  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  7  9  2  0
  5 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  1
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 32 34  1  0
 29 35  2  0
 35 24  1  0
 20 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 17  1  0
 39 40  2  0
 40 14  1  0
 40 41  1  0
 12 42  1  0
 42 43  1  0
 43  4  1  0
 43 44  1  0
 43 45  1  0
M  CHG  2   1   1  28  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11415

> <plate>
PLATE 006

> <well>
G5

> <supplier_cmpd_name>
Albamycinsodium

> <ctcr_id>
10992

> <supplier_cmpd_id>
T0974

> <smiles>
[Na+].CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc([O-])c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Cathomycin,"NOVOBIOCIN SODIUM",Albamycin,"Novobiocin (Sodium)",1476-53-5,1476535,"Novobiocin sodium (Albamycin)",HY-B0425A,HYB0425A,HMS3714H09,s2492,CCG-220834,CCG220834,SW199300-2,SW1993002,T0974,Al
bamycinsodium}

> <pdid>

> <targets>
{ABCG2,DNA gyrase,Bile salt export pump,Topo I,Antibiotic,Autophagy,Bacterial}

> <classes>
{DNA Damage/DNA Repair,Membrane transporter/Ion channel,Anti-infection,Autophagy}

> <pubchem_cids>
{54726514}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 28  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 C   0  0  2  0  0  0
    1.0956    4.0166    0.0000 C   0  0
    0.4767    5.3830    0.0000 C   0  0
   -1.0140    5.2166    0.0000 C   0  0  2  0  0  0
   -2.0283    6.3192    0.0000 C   0  0
   -3.4920    5.9912    0.0000 C   0  0
   -1.5809    7.7510    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0  2  0  0  0
   -2.5202    4.6210    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  1
  9 10  1  0
  9 11  2  0
  8 12  1  0
 12  5  1  0
 12 13  1  1
 12 14  1  0
 14 15  1  0
 15 16  1  1
 17 15  1  1
 17  4  1  0
 17 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  3
 25  2  1  0
 25 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11416

> <plate>
PLATE 006

> <well>
G6

> <supplier_cmpd_name>
Medrysone

> <ctcr_id>
5684

> <supplier_cmpd_id>
T0977

> <smiles>
C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14

> <pd_targets>
{NR3C1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Protease,"Nuclear receptor","Cysteine protease","Nuclear hormone receptor subfamily 3","Cysteine protease CA clan","Nuclear hormone receptor subfamily 3 group C","Cystei
ne protease C1A family","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","FOXO-mediated transcription of oxidative stress","metabolic and neur
onal genes"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{medrysone,Hydroxymesterone,2668-66-8,2668668,Medrifar,Medrocort,Medritonic,Visudrisone,"HMS Liquifilm",6alpha-Methyl-11beta-hydroxyprogesterone,6alphaMethyl11betahydroxyprogesterone,U-8471,U8471,UNII
-D2UFC189XF,UNIID2UFC189XF,HMS,"11beta-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione","11betaHydroxy6alphamethylpregn4ene3,20dione","GSH 1043",NSC-63278,NSC63278,D2UFC,T0977,SAM002564258,Prestw-743,Medr
ysone,CPD000058693}

> <pdid>
PD001873

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{247839}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8978   -0.7554    0.0000 C   0  0
   -5.1965   -1.5076    0.0000 N   0  0
   -5.3353   -2.9884    0.0000 C   0  0
   -6.8027   -3.2993    0.0000 C   0  0
   -7.5519   -1.9998    0.0000 C   0  0
   -6.5475   -0.8857    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 N   0  0
    5.0987    2.2491    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11417

> <plate>
PLATE 006

> <well>
G7

> <supplier_cmpd_name>
Triprolidine hydrochloride

> <ctcr_id>
10993

> <supplier_cmpd_id>
T1030

> <smiles>
Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1.Cl

> <pd_targets>
{NS1,PMP22,LMNA,BLM,NPSR1,GMNN,HRH1}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein",Enzyme,"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Short pep
tide receptor (family A GPCR)","Monoamine receptor","Neuropeptide receptor","Histamine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Neuropeptide S receptor","Histamine receptors"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","DNA Repair",Disease,"Signal Transduction","Nervous system development",Mitotic,"DNA Double-Strand Break Repair","Infectious disease","Signaling by GPCR","EGR2 an
d SOX10-mediated initiation of Schwann cell myelination","M Phase","Homology Directed Repair","Leishmania infection","Mitotic G1 phase and G1/S transition","GPCR ligand binding","Mitotic Metaphase and
 Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","G1/S Transition","Class A/1 (Rhodopsin-like receptors)","Mitotic Ana
phase","HDR through Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","Amine ligand-binding receptors","N
uclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Histamine receptors","Initiation of Nuclear Envelope (NE) Refor
mation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{"Triprolidine hydrochloride","Triprolidine HCL",Venen,550-70-9,550709,Pro-Actidil,ProActidil,Pro-Entra,ProEntra,"trans-Triprolidine hydrochloride","transTriprolidine hydrochloride",6138-79-0,6138790,
UNII-NG7A104R3J,UNIING7A104R3J,"Triprolidine hydrochloride anhydrous",MLS000028751,NG7A104R3J,Actidilat,CHEBI:8,T1030}

> <pdid>
PD010033

> <targets>
{"H1 receptor"}

> <classes>
{"GPCR/G Protein",Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{5702129}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 37  0  0  0  0            999 V2000
   15.4198   -7.8739    0.0000 Cl  0  5
   12.9198   -7.8739    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  3
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6078   -5.9988    0.0000 C   0  0
    2.6109   -7.4996    0.0000 C   0  0
    3.9117   -8.2481    0.0000 C   0  0
    3.9148   -9.7490    0.0000 C   0  0
    5.2157  -10.4975    0.0000 C   0  0
    5.2188  -11.9983    0.0000 C   0  0
    6.5196  -12.7469    0.0000 C   0  0
    6.5227  -14.2477    0.0000 N   0  3
    5.2236  -14.9979    0.0000 C   0  0
    3.9245  -14.2479    0.0000 C   0  0
    5.2237  -16.4979    0.0000 C   0  0
    6.5227  -17.2478    0.0000 C   0  0
    6.5228  -18.7478    0.0000 N   0  0
    7.8217  -16.4978    0.0000 C   0  0
    9.1208  -17.2477    0.0000 C   0  0
   10.4198  -16.4977    0.0000 C   0  0
   10.4198  -14.9977    0.0000 C   0  0
    9.1207  -14.2477    0.0000 C   0  0
    7.8217  -14.9978    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  8  1  0
 13 14  2  0
 14  4  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 25  1  0
 36 31  1  0
M  CHG  4   1  -1   2  -1  14   1  25   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11418

> <plate>
PLATE 006

> <well>
G8

> <supplier_cmpd_name>
Dequalinium chloride

> <ctcr_id>
744

> <supplier_cmpd_id>
T0979

> <smiles>
[Cl-].[Cl-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34

> <pd_targets>
{POLB,LMNA,KDM4E,PMP22,NPSR1,RORC,KCNN1,KCNN2,KCNN3,APEX1,CYP3A4,NFO,KMT2A,MEN1,HSD17B10,MAPT,GMNN,CNGA1,HIF1A,ALOX15,THPO,CYP2D6,CYP1A2,RECQL,CHRM1,CNGA2,FFP,HTT,TSHR,ALDH1A1,MTOR,XIAP,KCNMA1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Epigenetic regulator","Unclassified protein","Membrane receptor","Transcription factor","Ion channel","Other cytosolic protein",Eraser,"Family A G protein-coupled rece
ptor","Nuclear receptor","Voltage-gated ion channel","Cytochrome P450",Hydrolase,Reader,Oxidoreductase,Protease,Transferase,Kinase,"Lysine demethylase","Peptide receptor (family A GPCR)","Nuclear horm
one receptor subfamily 1","Potassium channels","Cytochrome P450 family 3",Bromodomain,"Cysteine protease","Cyclic nucleotide-regulated channel","Cytochrome P450 family 2","Cytochrome P450 family 1","S
mall molecule receptor (family A GPCR)","Protein Kinase","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Calcium-activated potassiu
m channel","Cytochrome P450 family 3A","Cysteine protease CA clan","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Monoamine receptor","Glycohormone receptor","Atypical protein kinase group",
"Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cysteine protease C1A family","Cytochrome P450 2D6","Cytochrome P450 1A1","Acetylcholine receptor
","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Other protein targets","Chromatin modifying enzymes","G protein-coupled receptors","Nuclear hormone receptors","Cytochrome P450","Voltage-gated ion channels","Eicosa
noid turnover","Kinases (EC 2.7.x.x)","Inhibitors of apoptosis (IAP) protein family","1.14.11.- Histone demethylases","Neuropeptide S receptor","1F. Retinoic acid-related orphans","CYP3 family","Potas
sium channels","Cyclic nucleotide-regulated channels",Lipoxygenases,"CYP2 family: drug metabolising subset","CYP1 family","Acetylcholine receptors (muscarinic)","Glycoprotein hormone receptors",Atypic
al,"Calcium- and sodium-activated potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"DNA Repair","Cell Cycle","Developmental Biology",Disease,"Gene expression (Transcription)",Metabolism,"Neuronal System","Signal Transduction","Cellular responses to external stimuli",Hemostasis,"Org
anelle biogenesis and maintenance","Programmed Cell Death","Base Excision Repair",Mitotic,"Nervous system development","Infectious disease","RNA Polymerase II Transcription","Metabolism of lipids","Me
tabolism of amino acids and derivatives","Transmission across Chemical Synapses","Potassium Channels","Signaling by GPCR","Cellular responses to stress","Platelet activation","signaling and aggregatio
n","Biological oxidations","Cilium Assembly",Apoptosis,"Platelet homeostasis","Resolution of Abasic Sites (AP sites)","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Leishm
ania infection","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Neurotransmitter receptors and postsynaptic signal t
ransmission","Mitotic G1 phase and G1/S transition","Ca2+ activated K+ channels","GPCR downstream signalling","Cellular response to hypoxia","Platelet Aggregation (Plug Formation)","Phase I - Function
alization of compounds","GPCR ligand binding","Cargo trafficking to the periciliary membrane","Intrinsic Pathway for Apoptosis","Nitric oxide stimulates guanylate cyclase","Resolution of AP sites via 
the multiple-nucleotide patch replacement pathway","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","
Activation of NMDA receptors and postsynaptic events","G1/S Transition","G alpha (i) signalling events","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DPA-
derived SPMs","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","VxPx cargo-targeting to cilium","Transcriptional Regulation by MECP2","Ethanol oxidation","Transcri
ptional Regulation by TP53","Apoptotic factor-mediated response","cGMP effects","PCNA-Dependent Long Patch Base Excision Repair","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania par
asite infection","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Post NMDA receptor activation events","Activation of the pre-replicative complex","Visual phototransdu
ction","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Amine ligand-binding receptors","Regulation of MECP2 expression and activity","Regulation of TP53 Activity","Cytochrome c-mediated apoptotic response"
,"Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","The phototransduction casca
de","Biosynthesis of DPAn-3-derived protectins and resolvins","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors","Regulation of 
TP53 Expression and Degradation","Formation of apoptosome","Initiation of Nuclear Envelope (NE) Reformation","Activation of the phototransduction cascade","Regulation of TP53 Degradation","Regulation 
of the apoptosome activity"}

> <broad_targets>
{KCNN1,KCNN3}

> <broad_moa>
{"PKC inhibitor"}

> <synonyms>
{522-51-0,522510,"522 51 0","dequalinium chloride","Dequalinium Dichloride","Dequalinium (Chloride)",Dequadin,Labosept,Evazol,Sorot,"Dequalinii chloridum",Dekadin,Dekamin,Dequavagyn,Dequavet,Erosept,G
rocreme,Oralgol,Polycidine,Rumi,Prestw-388,"Dequalinium dichloride"}

> <pdid>
PD006879

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{10649}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    4.2566    0.5871    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.6120   -3.9767    0.0000 O   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    6.4451   -1.8434    0.0000 C   0  0
    4.8111   -4.6641    0.0000 N   0  0
    6.3036   -4.8212    0.0000 C   0  0
    7.1851   -3.6075    0.0000 O   0  0
    6.9148   -6.1919    0.0000 C   0  0
    8.4063   -6.3511    0.0000 C   0  0
    9.0143   -7.7224    0.0000 C   0  0
    8.1308   -8.9345    0.0000 C   0  0
    6.6392   -8.7754    0.0000 N   0  0
    6.0312   -7.4042    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  3 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13  2  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11419

> <plate>
PLATE 006

> <well>
G9

> <supplier_cmpd_name>
Nifenazone

> <ctcr_id>
6295

> <supplier_cmpd_id>
T0980

> <smiles>
CN1N(c2ccccc2)C(=O)C(=C1C)NC(=O)c3cccnc3

> <pd_targets>
{LMNA,POLB,KMT2A,MEN1}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle","DNA Repair",Mitotic,"Base Excision Repair","M Phase","Resolution of Abasic Sites (AP sites)","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch r
eplacement pathway","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"analgesic agent"}

> <synonyms>
{RESTW22,nifenazone,2139-47-1,2139471,Niapyrin,Nicazane,Nicodone,Nifenazon,Nicofesone,Nicophesone,Nicophezon,Nicotazone,Nikofezon,Phenicazone,Thylin,Nicopyron,Nicoreumal,Nicoron,Nicozone,Nikodon,Anico
tinoylantipyrine,Nicotinoylaminoantipyrine,N-Antipyrinylnicot,NAntipyrinylnicot,T0980,1503230,Prestw-225,Nifenazone,NIFENAZONE}

> <pdid>
PD001036

> <targets>
{}

> <classes>
{analgesic,antiinflammatory}

> <pubchem_cids>
{4487}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  1  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    0.0007    0.0004    0.0000 S   0  0
    2.6000    0.0000    0.0000 C   0  0  2  0  0  0
    2.6000   -1.5000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.1992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
  7  9  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11420

> <plate>
PLATE 006

> <well>
G10

> <supplier_cmpd_name>
Artamine

> <ctcr_id>
4015

> <supplier_cmpd_id>
T0983

> <smiles>
CC(C)(S)[C@H](N)C(O)=O

> <pd_targets>
{DAPE,ALDH1A1,CYP1A2,FFP,MAPT,ALD}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Hydrolase,Oxidoreductase,"Cytochrome P450",Transferase,"Cytochrome P450 family 1","Cytochrome P450 family 1A","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP1 family"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Biological oxidations","Transmission across Chemical Synapses","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmissio
n","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events",Xenobiotics,"Post NMDA receptor activation events","Aromatic amines can be 
N-hydroxylated or N-dealkylated by CYP1A2","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{L-Penicillamine,LPenicillamine,1113-41-3,1113413,3-Mercapto-L-valine,3MercaptoLvaline,"Penicillamine L-form","Penicillamine Lform","(R)-2-Amino-3-mercapto-3-methylbutanoic acid","(R)2Amino3mercapto3m
ethylbutanoic acid",L-(+)-beta-Mercaptovaline,L(+)betaMercaptovaline,3-sulfanyl-L-valine,3sulfanylLvaline,"(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid","(2R)2amino3methyl3sulfanylbutanoic acid",UNII
-NO1YIB7OIG,UNIINO1YIB7OIG,3,3-Dimethyl-L,3DimethylL,T0983,T0983L,Prestw-1477,Artamine,DL-Penicillamine,Penicillamine}

> <pdid>
PD001813

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{92863,6926436}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11421

> <plate>
PLATE 006

> <well>
G11

> <supplier_cmpd_name>
Fluorouracil

> <ctcr_id>
604

> <supplier_cmpd_id>
T0984

> <smiles>
Oc1ncc(F)c(O)n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{5-Fluorouracil,5Fluorouracil,fluorouracil,51-21-8,51218,5-FU,5FU,Fluoroplex,Efudex,Adrucil,Carac,"5-fluoropyrimidine-2,4(1H,3H)-dione","5fluoropyrimidine2,4(1H,3H)dione",Fluracil,Fluoroblastin,Kecime
ton,Carzonal,Timazin,Arumel,Efudix,Fluril,5-Fluoracil,5Fluoracil,Fluracilum,Queroplex,Ulup,Phthoruracil,5-fluoro-,5fluoro,19893,S1209,SAM002264615,1500305,Prestw-1203,"NSC 19893",Fluorouracil,CPD00003
8082,FLUOROURACIL,5-fluorouracil}

> <pdid>

> <targets>
{}

> <classes>
{"pyrimidine antimetabolite",antineoplastic,Anti-metabolite}

> <pubchem_cids>
{3385}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 Cl  0  0
   -2.6061    2.9986    0.0000 C   0  0
   -3.9082    3.7448    0.0000 C   0  0
   -3.9139    5.2448    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11422

> <plate>
PLATE 006

> <well>
H2

> <supplier_cmpd_name>
Chloroambucil

> <ctcr_id>
2305

> <supplier_cmpd_id>
T0975

> <smiles>
OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl

> <pd_targets>
{SLCO1B3,PMP22,HIF1A,TSHR,MAPT,CYP2D6,CHRM1,THPO,GMNN,NFKB1,LMNA,AKR1B1,TGR}

> <pathway_gtopdb>
{Transporter,"Unclassified protein","Transcription factor","Membrane receptor","Other cytosolic protein",Enzyme,"Other nuclear protein","Electrochemical transporter","Family A G protein-coupled recept
or","Cytochrome P450",Oxidoreductase,"SLC superfamily of solute carriers","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","SLC21/SLCO family of 
organic anion transporting polypeptides","Glycohormone receptor","Cytochrome P450 family 2D","Monoamine receptor","Cytochrome P450 2D6","Acetylcholine receptor"}

> <pathway_chembl>
{Transporters,Receptors,Enzymes,"SLC superfamily of solute carriers","G protein-coupled receptors","Cytochrome P450","1.-.-.- Oxidoreductases","SLCO family of organic anion transporting polypeptides",
"Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Cellular responses to external stimuli",Disease,"Neuronal System","Signal Transduction",Hemostasis,"Cell Cycle","Immune System","Metabolism of lipids","Nervous sys
tem development","Cellular responses to stress","Infectious disease","Transmission across Chemical Synapses","Biological oxidations","Signaling by GPCR","Platelet activation","signaling and aggregatio
n",Mitotic,"Cytokine Signaling in Immune system","Metabolism of steroids","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Cellular response to hypoxia","Leishmania infection","Neurot
ransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","GPCR ligand binding","Platelet Aggregation (Plug Formation)","Mitotic G1 phase and G1/S transitio
n","Signaling by Interleukins","M Phase","Bile acid and bile salt metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Leishmania parasite growth and survival","Acti
vation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","G1/S Transition","Interleukin-1 family signaling","Mitotic Meta
phase and Anaphase","Metabolism of steroid hormones","Recycling of bile acids and salts","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events",Xen
obiotics,"Amine ligand-binding receptors","Activation of the pre-replicative complex","Interleukin-1 signaling","Mitotic Anaphase","Pregnenolone biosynthesis","ADORA2B mediated anti-inflammatory cytok
ines production","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Muscarinic acetylcholine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Nuclear Envelope (NE) Reassembly","Init
iation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA inhibitor"}

> <synonyms>
{RESTW107,chlorambucil,305-03-3,305033,Ambochlorin,Chloroambucil,Leukeran,Chloraminophen,Chlorbutin,Chloraminophene,Chlorobutine,Amboclorin,Chlorbutine,Chlorobutin,Linfolizin,Linfolysin,Ecloril,Elcori
l,"Phenylbutyric acid nitrogen mustard",Chlocambucil,Lymphol,T0975,3088,C0253,SAM002564202,1500171,Prestw-1079,"NSC 3088",Chlorambucil,CPD000058372,CHLORAMBUCIL}

> <pdid>
PD002434

> <targets>
{}

> <classes>
{antineoplastic,"alkylating agent","Alkylating agent"}

> <pubchem_cids>
{2708}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  1  0            999 V2000
    7.1216   -4.0950    0.0000 Na  0  3
    4.6130   -4.5087    0.0000 C   0  0
    3.9403   -5.8494    0.0000 C   0  0
    4.6216   -7.1858    0.0000 O   0  0
    3.5612   -8.2467    0.0000 N   0  0
    2.2245   -7.5661    0.0000 C   0  0
    0.8835   -8.2398    0.0000 C   0  0
   -0.4263   -7.5195    0.0000 C   0  0
   -1.7090   -8.2972    0.0000 C   0  0
   -1.6768   -9.7968    0.0000 C   0  0
   -0.3620  -10.5188    0.0000 C   0  0
    0.9207   -9.7411    0.0000 C   0  0
    2.4742   -6.0999    0.0000 C   0  0
    1.4149   -5.0368    0.0000 C   0  0
   -0.0346   -5.4229    0.0000 O   0  0
    1.8050   -3.5876    0.0000 N   0  0
    0.7500   -2.5287    0.0000 C   0  0  1  0  0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.3101    2.0064    0.0000 C   0  0
    1.3100    2.0066    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0  1  0  0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -0.7500   -2.5287    0.0000 C   0  0
   -1.8107   -3.5893    0.0000 O   0  0
   -2.6375    0.8602    0.0000 C   0  0
   -3.7540   -0.1415    0.0000 O   0  5
   -2.9472    2.3279    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  6 13  1  0
 13  3  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 17 16  1  6
 17 18  1  0
 18 19  1  6
 19 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 18  1  0
 24 25  1  0
 25 17  1  0
 25 26  2  0
 23 27  1  1
 27 28  1  0
 27 29  2  0
M  CHG  2   1   1  28  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11423

> <plate>
PLATE 006

> <well>
H3

> <supplier_cmpd_name>
Oxacillin sodium

> <ctcr_id>
6799

> <supplier_cmpd_id>
T0985

> <smiles>
[Na+].Cc1onc(c2ccccc2)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"OXACILLIN SODIUM",1173-88-2,1173882,"Oxacillin sodium salt",Prostaphlin,Bactocill,Oxabel,Bristopen,Micropenin,Resistopen,Stapenor,"Staphcillin V","Oxacillin (sodium salt)",UNII-4TWD2995UP,UNII4TWD29
95UP,Cryptocillin,CHEBI:52134,"Sodium oxacillin",4TWD2995UP,Prestw-1475,"Oxacillin sodium"}

> <pdid>
PD052324

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{101643209,23667631}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    9.4554   -0.0975    0.0000 Cl  0  0
    6.9546   -4.2653    0.0000 C   0  0
    5.4929   -3.9285    0.0000 N   0  0
    5.0525   -2.4938    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  7  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11424

> <plate>
PLATE 006

> <well>
H4

> <supplier_cmpd_name>
Desipramine hydrochloride

> <ctcr_id>
10995

> <supplier_cmpd_id>
T0991

> <smiles>
Cl.CNCCCN1c2ccccc2CCc2ccccc12

> <pd_targets>
{SLC6A2,SLC6A4,SLC6A3,SCN1A,SCN2A,SCN3A,HTR3A,HTR7,CHRM3,KCNH2,CHRM1,THPO,CYP2D6,HRH1,HRH2,HTR2A,HTR2C,HTR1A,CYP3A4,CYP1A2,ADRA1A,HTR1B,HTR1D,HTR1F,HTR2B,HTR3B,HTR4,HTR5A,HTR5B,HTR6,CHRM2,ADRA2A,DRD2,
CHRM5,KCNJ6,NFKB1,SIGMAR1,HTT,NET,SLC29A4,ADRA2C,KCNJ5,CHRM4,PMP22,NPSR1,KMT2A,MEN1,AMPC,SLC22A3,CACNA1C,SLC22A1,SLC22A4,SLC22A2,MTOR,SCN5A,ADRB2,ADRB1,SMPD1,ADRA1B,ADRA1D,ADRA2B}

> <pathway_gtopdb>
{Transporter,"Ion channel","Membrane receptor","Unclassified protein",Enzyme,"Other cytosolic protein","Epigenetic regulator","Electrochemical transporter","Voltage-gated ion channel","Ligand-gated io
n channel","Family A G protein-coupled receptor","Cytochrome P450",Reader,Hydrolase,Kinase,"SLC superfamily of solute carriers","Voltage-gated sodium channel","5HT3 receptor","Small molecule receptor 
(family A GPCR)","Potassium channels","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","Peptide receptor (family A GPCR)",Bromodomain,"Voltage-gated calcium channel","P
rotein Kinase","SLC06 neurotransmitter transporter family","Monoamine receptor","Voltage-gated potassium channel","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cytochrome P450 family 1A","I
nwardly rectifying potassium channel","SLC28 and SLC29 families of nucleoside transporters","Short peptide receptor (family A GPCR)","SLC22 family of organic cation and anion transporters","Atypical p
rotein kinase group","Serotonin receptor","Acetylcholine receptor","Cytochrome P450 2D6","Histamine receptor","Cytochrome P450 3A4","Cytochrome P450 1A1","Adrenergic receptor","Dopamine receptor","SLC
29 Facilitative nucleoside transporter family","Neuropeptide receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Transporters,"Ion channels",Receptors,Enzymes,"Other protein targets","SLC superfamily of solute carriers","Ligand-gated ion channels","G protein-coupled receptors","Voltage-gated ion channels","Cyto
chrome P450","Sigma receptors","Kinases (EC 2.7.x.x)","Ceramide turnover","SLC6 neurotransmitter transporter family","5-HT<sub>3</sub> receptors","5-Hydroxytryptamine receptors","Acetylcholine recepto
rs (muscarinic)","Potassium channels","CYP2 family: drug metabolising subset","Histamine receptors","CYP3 family","CYP1 family",Adrenoceptors,"Dopamine receptors","SLC28 and SLC29 families of nucleosi
de transporters","Neuropeptide S receptor","SLC22 family of organic cation and anion transporters","Voltage-gated calcium channels",Atypical,"Voltage-gated sodium channels","Sphingomyelin phosphodiest
erase","Monoamine transporter subfamily","Voltage-gated potassium channels","Inwardly rectifying potassium channels","SLC29 family","Organic cation transporters (OCT)","Organic zwitterions/cation tran
sporters (OCTN)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Neuronal System",Disease,"Signal Transduction","Muscle contraction",Hemostasis,Metabolism,"Immune System","Gene expression (Transcription)","Transport of small molecules","Developmental Biology","Tr
ansmission across Chemical Synapses","Disorders of transmembrane transporters","Infectious disease","Signaling by GPCR","Cardiac conduction","Platelet activation","signaling and aggregation","Biologic
al oxidations","Metabolism of lipids","Cytokine Signaling in Immune system","RNA Polymerase II Transcription","SLC-mediated transmembrane transport","Nervous system development","Neurotransmitter clea
rance","SLC transporter disorders","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","GPCR ligand binding","Phase 3 - rapid repolarisation","Platelet Aggregation
 (Plug Formation)","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by Interleukins","SARS-CoV Infections","Generic Transcription Pathw
ay","Transport of vitamins",nucleosides,"and related molecules","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Transport of bile salts and organic acids","metal ions and amine compo
unds","Axon guidance","Sphingolipid metabolism","Serotonin clearance from the synaptic cleft","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Leishmania parasite growth and survival
","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","GABA receptor activat
ion","Interleukin-1 family signaling","Potential therapeutics for SARS","Transcriptional Regulation by MECP2","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane"
,"Organic cation/anion/zwitterion transport","NCAM signaling for neurite out-growth","Transcriptional Regulation by TP53","L1CAM interactions","Glycosphingolipid metabolism","Anti-inflammatory respons
e favouring Leishmania parasite infection","Amine ligand-binding receptors",Xenobiotics,"Biosynthesis of maresins","GABA B receptor activation","Interleukin-1 signaling","Regulation of MECP2 expressio
n and activity","Organic cation transport","NCAM1 interactions","Regulation of TP53 Activity","Interaction between L1 and Ankyrins","ADORA2B mediated anti-inflammatory cytokines production","Muscarini
c acetylcholine receptors","CYP2E1 reactions","Histamine receptors","Serotonin receptors","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2",Adrenoc
eptors,"Dopamine receptors","Activation of GABAB receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Regulation of TP53 Expression and Degradation","Inhibition  of voltage gated Ca2+ channels via
 Gbeta/gamma subunits","Regulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,ADRB2,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD2,HRH1,HTR1A,HTR2A,HTR2C,SLC6A2,SLC6A4,SMPD1}

> <broad_moa>
{"tricyclic antidepressant"}

> <synonyms>
{"10,f)azepine hydrochloride","Desipramine hydrochloride",58-28-6,58286,Norpramin,"Desipramine Hcl",Pertofrane,Pertofran,"DMI hydrochloride",Norpolake,Nortimil,"Desmethylimipramine chloride","Desipram
ine monohydrochloride",Demethylim,T0991}

> <pdid>
PD009775

> <targets>
{5-HT,Adrenergic Receptor,Dopamine Transporter,Serotonin Transporter}

> <classes>
{Neuroscience,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{65327}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 43 45  0  0  1  0            999 V2000
   14.0990   -1.8806    0.0000 Na  0  3
   11.5990   -1.8806    0.0000 Na  0  3
    1.2636   -2.2496    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5801    0.0303    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0  2  0  0  0
   -2.5981   -4.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 C   0  0  2  0  0  0
   -7.7942   -3.0000    0.0000 C   0  0
   -9.0933   -3.7501    0.0000 C   0  0  2  0  0  0
   -9.0565   -2.2505    0.0000 C   0  0
   -9.0933   -5.2501    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0
   -6.4952   -5.2500    0.0000 C   0  0  1  0  0  0
   -6.4952   -6.7500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0  1  0  0  0
   -3.0311   -4.2500    0.0000 C   0  0
  -10.3567   -4.5216    0.0000 C   0  0
  -11.6557   -3.7715    0.0000 O   0  5
  -10.3574   -6.0216    0.0000 O   0  0
    2.6003    1.4978    0.0000 O   0  0
    3.8990    0.7455    0.0000 C   0  0
    3.8964   -0.7545    0.0000 O   0  0
    5.2003    1.4932    0.0000 C   0  0
    6.4990    0.7410    0.0000 C   0  0
    7.8003    1.4887    0.0000 C   0  0
    7.8029    2.9887    0.0000 O   0  5
    9.0983    0.7369    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11  4  1  0
 11 12  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16  9  1  0
 16 17  1  6
 17 18  2  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  1  1
 22 23  1  0
 23 24  1  1
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 21  1  0
 27 28  1  6
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 14  1  0
 31 20  1  0
 31 32  1  1
 23 33  1  0
 33 34  1  0
 33 35  2  0
  6 36  1  6
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  2  0
M  CHG  4   1   1   2   1  34  -1  42  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11425

> <plate>
PLATE 006

> <well>
H5

> <supplier_cmpd_name>
Carbenoxolone disodium

> <ctcr_id>
3790

> <supplier_cmpd_id>
T0992

> <smiles>
[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C([O-])=O)OC(=O)CCC([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW83,"CARBENOXOLONE SODIUM","Carbenoxolone disodium",Biogastrone,Bioral,7421-40-1,7421401,"Carbenoxolone disodium salt",UNII-F1MP7242Z5,UNIIF1MP7242Z5,Duogastrone,Sanodin,F1MP7242Z5,Pyrogastrone,D
SSTox_CID_25572,DSSToxCID25572,DSSTox-CID-25572,"DSSTox CID 25572",DSSTox_RID_80969,DSSToxRID80969,DSSTox-RID-80969,"DSSTox RID 80969",DSSTox_GSID_45572,DSSToxGSID45572,DSSTox-GSID-45572,"DSSTox GSID 
45572",Gastrausil,Neogel,Berkobi,T0992,Prestw-837}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{636402}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 15  0  0  0  0            999 V2000
    7.5973   -0.3766    0.0000 H   0  3
    5.0973   -0.3766    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0031    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2948   -3.7517    0.0000 C   0  0
   -3.8926   -3.7566    0.0000 N   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 12  5  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11426

> <plate>
PLATE 006

> <well>
H6

> <supplier_cmpd_name>
Methoxamine hydrochloride

> <ctcr_id>
315

> <supplier_cmpd_id>
T0993

> <smiles>
[H+].[Cl-].COc1ccc(OC)c(c1)C(O)C(C)N

> <pd_targets>
{BLM,MAPK1,KMT2A,MEN1,ADRA2A,ADRA2B,ADRA2C,ADRA1B,ADRA1A,ADRA1D}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor",Kinase,Reader,"Family A G protein-coupled receptor","Protein Kinase",Bromodomain,"Small molecule receptor (family A GPCR)","CMGC protein kinase group
","Monoamine receptor","CMGC protein kinase MAPK family","Adrenergic receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","G protein-coupled receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Adrenoceptors,"Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"DNA Repair","Immune System","Signal Transduction","DNA Double-Strand Break Repair","Innate Immune System","Signaling by GPCR","Homology Directed Repair","Toll-like Receptor Cascades","GPCR ligand bi
nding","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination 
(HRR)","MyD88 cascade initiated on plasma membrane","Amine ligand-binding receptors","Homologous DNA Pairing and Strand Exchange","MAP kinase activation",Adrenoceptors,"Presynaptic phase of homologous
 DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{AKOS026749996,"METHOXAMINE HYDROCHLORIDE",61-16-5,61165,"61 16 5","Methoxamine HCl",METHOXAMINEHYDROCHLORIDE,"2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol hydrochloride","2amino1(2,5dimethoxyphenyl)pro
pan1ol hydrochloride","2 amino 1 (2,5 dimethoxyphenyl)propan 1 ol hydrochloride",MLS000069686,"Methoxamini hydrochloridum",2-amino-1-(2,2amino1(2,"2 amino 1 (2",5-dimethoxyphenyl)p,5dimethoxyphenyl)p,
"5 dimethoxyphenyl)p",T0993,Prestw-535,"Methoxamine hydrochloride"}

> <pdid>
PD010058

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{657286,6081}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    7.5844   -1.4920    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1476   -0.7184    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.2135   -2.9844    0.0000 S   0  0
    0.0000   -3.8661    0.0000 C   0  0
    1.2135   -2.9844    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
   11.3852    1.9772    0.0000 O   0  0
   11.3852    0.4772    0.0000 C   0  0
   10.0859   -0.2724    0.0000 O   0  0
   12.6852   -0.2728    0.0000 C   0  0
   13.9852    0.4772    0.0000 C   0  0
   15.2851   -0.2728    0.0000 C   0  0
   15.2851   -1.7728    0.0000 O   0  0
   16.5844    0.4768    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  2  3
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22  8  1  0
 22 18  2  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11427

> <plate>
PLATE 006

> <well>
H7

> <supplier_cmpd_name>
Ketotifen fumarate

> <ctcr_id>
4499

> <supplier_cmpd_id>
T0994

> <smiles>
CN1CCC(CC1)=C2c3ccccc3CC(=O)c4sccc24.OC(=O)\C=C\C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW37,"KETOTIFEN FUMARATE",34580-14-8,34580148,Zaditen,"Ketotifen hydrogen fumarate","HC 20,511 fumarate","Ketotifen (fumarate)","Ketotifen fumarate salt",UNII-HBD503WORO,UNIIHBD503WORO,"Ketotifen 
fumarate (Zaditor)",HBD503WORO,MLS000069701,C23H23NO5S,MFCD00079394,SMR000058,T0994,S2024,SAM001246984,1500668,Prestw-371,"Ketotifen fumarate","Ketotifen Fumarate",CPD000058462}

> <pdid>

> <targets>
{"Histamine Receptor"}

> <classes>
{antiasthmatic,"Neuronal Signaling"}

> <pubchem_cids>
{5282408}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8972    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0  1  0  0  0
   -5.3400    4.4931    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.6243    1.0594    0.0000 C   0  0
   -7.4983    2.2785    0.0000 C   0  0  1  0  0  0
   -8.9965    2.2881    0.0000 C   0  0
  -10.4964    2.2977    0.0000 C   0  0
   -6.6089    3.4864    0.0000 C   0  0  2  0  0  0
   -7.0566    4.9161    0.0000 O   0  0
   -8.5210    5.2447    0.0000 C   0  0
   -9.5369    4.1410    0.0000 C   0  0
   -8.9693    6.6761    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 17 18  3  0
 16 19  1  0
 19 12  1  0
 19 20  1  6
 20 21  1  0
 21 22  1  0
 21 23  2  0
 14 24  1  0
 24  9  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27  8  1  0
 27 28  2  3
 28  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11428

> <plate>
PLATE 006

> <well>
H8

> <supplier_cmpd_name>
Ethynodiol diacetate

> <ctcr_id>
3028

> <supplier_cmpd_id>
T0996

> <smiles>
CC(=O)O[C@H]1CCC2C3CC[C@@]4(C)C(C[C@@H](C#C)[C@@H]4OC(C)=O)C3CCC2=C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS2093J20,Pharmakon1600-01505979,Pharmakon160001505979,NSC759288,CCG-213586,CCG213586,NSC-759288,SBI-0206882.P001,SBI0206882.P001,AB01563338_01,AB0156333801,AB01563338-01,"AB01563338 01",SR-05000001
840,SR05000001840,SR-05000001840-1,SR050000018401,1505979,"ETHYNODIOL DIACETATE"}

> <pdid>

> <targets>
{}

> <classes>
{progestin}

> <pubchem_cids>
{45114155}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11429

> <plate>
PLATE 006

> <well>
H9

> <supplier_cmpd_name>
Fluorocytosine

> <ctcr_id>
10996

> <supplier_cmpd_id>
T0986

> <smiles>
Nc1c(F)cnc(=O)[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{5-Fluorocytosine,5Fluorocytosine,flucytosine,2022-85-7,2022857,Ancobon,Ancotil,5-Fluorocystosine,5Fluorocystosine,5-FC,5FC,Flucytosin,Fluocytosine,5-Fluorocytosin,5Fluorocytosin,Fluorocytosine,Fluorc
ytosine,Alcobon,4-Amino-5-fluoropyrimidin-2(1H)-one,4Amino5fluoropyrimidin2(1H)one,"Ro 2-9915","Ro 29915",Flucytosinum,4-Amino-5-fluoro-2(1H)-p,4Amino5fluoro2(1H)p,T0986}

> <pdid>

> <targets>
{"DNA synthesis"}

> <classes>
{"DNA Damage/DNA Repair"}

> <pubchem_cids>
{3366}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  2  1  0
  6  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11430

> <plate>
PLATE 006

> <well>
H10

> <supplier_cmpd_name>
Gimeracil

> <ctcr_id>
828

> <supplier_cmpd_id>
T0987

> <smiles>
OC1=CC(=O)C(=CN1)Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Gimeracil,103766-25-2,103766252,"5-Chloro-2,4-dihydroxypyridine","5Chloro2,4dihydroxypyridine",gimestat,"5-chloropyridine-2,4-diol","5chloropyridine2,4diol",5-Chloro-4-hydroxy-2(1H)-pyridone,5Chloro4
hydroxy2(1H)pyridone,5-Chloro-4-hydroxy-2(1H)-pyridinone,5Chloro4hydroxy2(1H)pyridinone,5-Chloro-4-hydroxy-1H-pyridin-2-one,5Chloro4hydroxy1Hpyridin2one,UNII-UA8SE1325T,UNIIUA8SE1325T,5-chloro-2-hydro
xypyridin-4(1H),5chloro2hydroxypyridin4(1H),S2055}

> <pdid>

> <targets>
{Dehydrogenase}

> <classes>
{Metabolism}

> <pubchem_cids>
{54679224}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 20  0  0  0  0            999 V2000
   13.8990    1.1273    0.0000 H   0  3
   11.3990    1.1273    0.0000 H   0  3
    8.8990    1.1273    0.0000 Cl  0  5
    6.3990    1.1273    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -3.8916    3.7585    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -2.5847    6.0040    0.0000 N   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 10 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  2  0
 21  7  1  0
 21 22  1  0
 22 23  1  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11431

> <plate>
PLATE 006

> <well>
H11

> <supplier_cmpd_name>
Trimetazidine dihydrochloride

> <ctcr_id>
5296

> <supplier_cmpd_id>
T0988

> <smiles>
[H+].[H+].[Cl-].[Cl-].COc1ccc(CN2CCNCC2)c(OC)c1OC

> <pd_targets>
{CTDSP1,APOBEC3A,CPT1B,CYP1A2,TGR,APOBEC3G,ACAA1}

> <pathway_gtopdb>
{Enzyme,Phosphatase,Hydrolase,Transferase,"Cytochrome P450","Protein Phosphatase","Cytochrome P450 family 1","Serine/threonine protein phosphatase","Cytochrome P450 family 1A","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP1 family"}

> <pathway_reactome>
{"Metabolism of RNA",Metabolism,Disease,"mRNA Editing","Metabolism of lipids","Biological oxidations","Infectious disease","mRNA Editing: C to U Conversion","Fatty acid metabolism","Phase I - Function
alization of compounds","HIV Infection","Formation of the Editosome","Carnitine metabolism","Cytochrome P450 - arranged by substrate type","Host Interactions of HIV factors","alpha-linolenic (omega3) 
and linoleic (omega6) acid metabolism",Xenobiotics,"APOBEC3G mediated resistance to HIV-1 infection","alpha-linolenic acid (ALA) metabolism","Aromatic amines can be N-hydroxylated or N-dealkylated by 
CYP1A2"}

> <broad_targets>
{ACAA2}

> <broad_moa>
{"3-ketoacyl CoA thiolase inhibitor"}

> <synonyms>
{"Trimetazidine dihydrochloride",13171-25-0,13171250,"1-(2,3,4-Trimethoxybenzyl)piperazine dihydrochloride","1(2,3,4Trimethoxybenzyl)piperazine dihydrochloride",Kyurinett,"Trimetazidine hydrochloride"
,"Trimetazidine (dihydrochloride)",1-((2,1((2,3,"4-trimethoxyphenyl)methyl)piperazine dihyd","4trimethoxyphenyl)methyl)piperazine dihyd",T0988,Prestw-549}

> <pdid>
PD009144

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{83201,68286961}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 33  0  0  1  0            999 V2000
    9.6216   -4.0950    0.0000 O   0  0
    7.1216   -4.0950    0.0000 Na  0  3
    4.6130   -4.5087    0.0000 C   0  0
    3.9403   -5.8494    0.0000 C   0  0
    4.6216   -7.1858    0.0000 O   0  0
    3.5612   -8.2467    0.0000 N   0  0
    2.2245   -7.5661    0.0000 C   0  0
    2.4742   -6.0999    0.0000 C   0  0
    1.4149   -5.0368    0.0000 C   0  0
   -0.0346   -5.4229    0.0000 O   0  0
    1.8050   -3.5876    0.0000 N   0  0
    0.7500   -2.5287    0.0000 C   0  0  1  0  0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.3101    2.0064    0.0000 C   0  0
    1.3100    2.0066    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0  1  0  0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -0.7500   -2.5287    0.0000 C   0  0
   -1.8107   -3.5893    0.0000 O   0  0
   -2.6375    0.8602    0.0000 C   0  0
   -3.7540   -0.1415    0.0000 O   0  5
   -2.9472    2.3279    0.0000 O   0  0
    0.8835   -8.2398    0.0000 C   0  0
   -0.4263   -7.5195    0.0000 C   0  0
   -0.4580   -6.0198    0.0000 Cl  0  0
   -1.7090   -8.2972    0.0000 C   0  0
   -1.6768   -9.7968    0.0000 C   0  0
   -0.3620  -10.5188    0.0000 C   0  0
    0.9207   -9.7411    0.0000 C   0  0
    2.2367  -10.4609    0.0000 Cl  0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  4  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 13  1  0
 19 20  1  0
 20 12  1  0
 20 21  2  0
 18 22  1  1
 22 23  1  0
 22 24  2  0
  7 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 25  1  0
 31 32  1  0
M  CHG  2   2   1  23  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11432

> <plate>
PLATE 007

> <well>
A2

> <supplier_cmpd_name>
Dicloxacillin sodium

> <ctcr_id>
3609

> <supplier_cmpd_id>
T1001

> <smiles>
O.[Na+].Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)c4c(Cl)cccc4Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Dicloxacillin sodium",13412-64-1,13412641,"DICLOXACILLIN SODIUM MONOHYDRATE","Dicloxacillin sodium hydrate","Dicloxacillin sodium salt hydrate",Diclocil,"Dicloxacillin sodium salt monohydrate",Dynap
en,Pathocil,Dycill,"Sodium dicloxacillin monohydrate",BR,T5006,T1001,S4111,Prestw-450,"Flucloxacillin sodium","Dicloxacillin Sodium"}

> <pdid>
PD002381

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{23675786}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.9040   -1.5957    0.0000 C   0  0
   -4.7856   -2.8092    0.0000 C   0  0
   -4.1755   -4.1795    0.0000 O   0  0
   -2.6837   -4.3363    0.0000 C   0  0
   -1.2077   -4.4547    0.0000 C   0  0
   -0.5962   -5.8244    0.0000 C   0  0
   -3.5829   -5.5124    0.0000 C   0  0
   -5.0756   -5.3565    0.0000 C   0  0
   -5.6861   -3.9864    0.0000 O   0  0
   -5.9572   -6.5701    0.0000 O   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 12 19  1  0
 19  8  2  0
 19 20  1  0
 20 21  1  0
 21  3  1  0
 21  7  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11433

> <plate>
PLATE 007

> <well>
A3

> <supplier_cmpd_name>
Etodolac

> <ctcr_id>
2853

> <supplier_cmpd_id>
T1002

> <smiles>
CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12

> <pd_targets>
{PTGS2,TGR,BLM,NFKB1,ALOX15,PMP22,ALDH1A1,CYP3A4,PTGS1,SLC22A6,RXRA,TSHR,CYP2C9}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Unclassified protein",Transporter,"Transcription factor","Membrane receptor",Oxidoreductase,"Cytochrome P450","Electrochemical transporter","Nuclear receptor","Famil
y A G protein-coupled receptor","Cytochrome P450 family 3","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Cy
tochrome P450 family 3A","SLC22 family of organic cation and anion transporters","Nuclear hormone receptor subfamily 2 group B","Glycohormone receptor","Cytochrome P450 family 2C","Cytochrome P450 3A4
","Nuclear hormone receptor subfamily 2 group B member 1","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Eicosanoid turnover","Cytochrome P450","SLC superfamily of solute carriers","Nuclear hormone receptors","G protein-coupled receptors",Cyclooxygenase,Lipoxygenases,"CYP
3 family","SLC22 family of organic cation and anion transporters","2B. Retinoid X receptors","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","Organic anion transporters (OATs)
"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Immune System","Developmental Biology","Transport of small molecules",Disease,"Metabolism of lipids","DNA Double-Strand Break Repair","Cytokine Signaling in Immune system","N
ervous system development","Biological oxidations","SLC-mediated transmembrane transport","Infectious disease","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","S
ignaling by Interleukins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Phase I - Functionalization of compounds","Fatty acid metabolism","Transport of bile salts and organic acids
","metal ions and amine compounds","Metabolism of steroids","Leishmania infection","Biosynthesis of DPA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Int
erleukin-1 family signaling","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Arachidonic acid metabolism","Organic cation/anion/zwitterion transport","Bile acid and bile salt metabolism","Leis
hmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Biosynthesis of DPAn-3 SPMs","HDR through Homologous Recombination (HRR)","Interleukin-1 signaling","Biosynthesis o
f maresins","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Organic anion transport","Synthesis of bile acids and bile salts","Anti-inflammatory response favouring Leishmania parasite infect
ion",Xenobiotics,"Homologous DNA Pairing and Strand Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of maresin-like SPMs"
,"Synthesis of bile acids and bile salts via 27-hydroxycholesterol","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Presynaptic phase of homologous DNA pairing and strand
 exchange"}

> <broad_targets>
{PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{etodolac,41340-25-4,41340254,"Etodolic acid",Lodine,Ultradol,"Lodine XL",AY-24236,AY24236,Etodolaco,Etodolacum,"AY 24236","AY-24,236","AY24,236",Edolan,"1,3,4,9-Tetrahydro-1,8-diethylpyrano(3,4-b)ind
ole-1-acetic acid","1,3,4,9Tetrahydro1,8diethylpyrano(3,4b)indole1acetic acid",1,8-Diethyl-1,8Diethyl1,3,4,9-tetrahydropyrano(3,9tetrahydropyrano(3,4-b)indole-1-acetic,4b)indole1acetic,SAM002589968,15
01005,S1328,Prestw-231,CPD000058443,ETODOLAC,"Etodolac (Lodine)",Etodolac}

> <pdid>
PD001509

> <targets>
{COX}

> <classes>
{"Neuronal Signaling",antiinflammatory}

> <pubchem_cids>
{3308}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 64 67  0  0  1  0            999 V2000
   -2.5342    0.6545    0.0000 C   0  0
   -1.0751    1.0026    0.0000 C   0  0
   -0.0444   -0.0846    0.0000 C   0  0  1  0  0  0
   -0.2779   -1.5858    0.0000 O   0  0
    0.8893   -2.6474    0.0000 C   0  0
    0.5280   -4.1032    0.0000 O   0  0
    2.4072   -2.2573    0.0000 C   0  0
    3.5280   -3.3637    0.0000 C   0  0  1  0  0  0
    3.0647   -4.7904    0.0000 O   0  0
    5.0831   -3.1273    0.0000 C   0  0  2  0  0  0
    5.6081   -1.7222    0.0000 C   0  0
    6.1000   -4.3227    0.0000 C   0  0  1  0  0  0
    5.4914   -5.6959    0.0000 O   0  0
    6.3748   -6.9092    0.0000 C   0  0  2  0  0  0
    7.8662   -6.7478    0.0000 O   0  0
    8.7516   -7.9586    0.0000 C   0  0  2  0  0  0
   10.2429   -7.7973    0.0000 C   0  0
    8.1458   -9.3308    0.0000 C   0  0  1  0  0  0
    9.0342  -10.5405    0.0000 O   0  0
   10.5260  -10.3769    0.0000 C   0  0  1  0  0  0
   11.4157  -11.5846    0.0000 C   0  0
   12.9065  -11.4180    0.0000 C   0  0  1  0  0  0
   14.3928  -11.2163    0.0000 C   0  0
   12.2732  -12.7778    0.0000 O   0  0
   13.5076  -10.0437    0.0000 C   0  0  1  0  0  0
   14.9983   -9.8772    0.0000 O   0  0
   12.6180   -8.8360    0.0000 C   0  0  2  0  0  0
   13.2191   -7.4617    0.0000 C   0  0
   11.1272   -9.0026    0.0000 O   0  0
    6.6545   -9.4922    0.0000 C   0  0  1  0  0  0
    5.7690   -8.2814    0.0000 C   0  0  1  0  0  0
    4.2778   -8.4429    0.0000 O   0  0
    6.0511  -10.8664    0.0000 N   0  0
    6.9382  -12.0760    0.0000 C   0  0
    4.5601  -11.0304    0.0000 C   0  0
    7.6765   -4.2613    0.0000 C   0  0  1  0  0  0
    8.4628   -5.5397    0.0000 C   0  0
    9.9631   -5.4992    0.0000 C   0  0
   10.7487   -6.7771    0.0000 O   0  0
    8.4369   -2.9455    0.0000 C   0  0
    7.4257   -1.9382    0.0000 C   0  0  1  0  0  0
    6.0860   -2.6128    0.0000 C   0  0
    7.2130   -0.4883    0.0000 C   0  0
    8.2751    0.5709    0.0000 O   0  0
    5.8106   -0.2788    0.0000 C   0  0
    5.0171    0.9169    0.0000 C   0  0
    3.6635    0.4381    0.0000 C   0  0
    2.4183    1.1151    0.0000 C   0  0
    1.3718    0.0880    0.0000 C   0  0  2  0  0  0
    1.5076   -1.4123    0.0000 C   0  0
    0.6514   -2.6449    0.0000 O   0  0
   -0.8443   -2.5207    0.0000 C   0  0  2  0  0  0
   -1.9076   -1.4626    0.0000 O   0  0
   -3.3555   -1.8542    0.0000 C   0  0  2  0  0  0
   -4.4187   -0.7961    0.0000 C   0  0
   -3.7403   -3.3040    0.0000 C   0  0  1  0  0  0
   -5.1883   -3.6957    0.0000 O   0  0
   -2.6772   -4.3622    0.0000 C   0  0  1  0  0  0
   -3.0652   -5.8120    0.0000 O   0  0
   -2.0049   -6.8730    0.0000 C   0  0
   -1.2292   -3.9705    0.0000 C   0  0  1  0  0  0
   -0.1677   -5.0315    0.0000 O   0  0
   -0.5546   -6.4807    0.0000 C   0  0
    3.5452   -1.0572    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  6
 14 13  1  6
 14 15  1  0
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  1
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  1
 22 24  1  0
 22 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  1
 27 29  1  0
 29 20  1  0
 18 30  1  0
 30 31  1  0
 31 14  1  0
 31 32  1  1
 30 33  1  6
 33 34  1  0
 33 35  1  0
 12 36  1  0
 36 37  1  6
 37 38  1  0
 38 39  2  0
 36 40  1  0
 40 41  1  0
 41 42  1  1
 41 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49  3  1  0
 49 50  1  6
 50 51  1  0
 52 51  1  1
 52 53  1  0
 53 54  1  0
 54 55  1  1
 54 56  1  0
 56 57  1  6
 56 58  1  0
 58 59  1  6
 59 60  1  0
 58 61  1  0
 61 52  1  0
 61 62  1  6
 62 63  1  0
 47 64  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11434

> <plate>
PLATE 007

> <well>
A4

> <supplier_cmpd_name>
Tylosin

> <ctcr_id>
3959

> <supplier_cmpd_id>
T1003

> <smiles>
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(=C\[C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H]
(OC)[C@H]4OC)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{Tylosin,Tylosine,Tylocine,"tylosin tartrate","Tylosin A",1401-69-0,1401690,Tilosina,Tylosinum,Tylan,UNII-YEF4JXN031,UNIIYEF4JXN031,YEF4JXN031,Fradizine,CHEBI:17658,"1401-69-0 (free base)","1401690 (f
ree base)","Vubityl 200",SR-05000002057,SR05000002057,"Tylosine (INN-French)","Tylosine (INNFrench)","Tylosinum (INN-La","Tylosinum (INNLa",1505312,"TYLOSIN TARTRATE"}

> <pdid>
PD014056

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5280440}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  1  0            999 V2000
    0.1194   -2.3933    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    2.2393   -0.8534    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0  2  0  0  0
   -0.8796    2.4866    0.0000 C   0  0  2  0  0  0
   -0.6422    3.9624    0.0000 N   0  0
    0.7599    4.4978    0.0000 C   0  0
    1.9236    3.5514    0.0000 O   0  0
    0.9982    5.9795    0.0000 C   0  0  1  0  0  0
   -0.1656    6.9259    0.0000 N   0  0
    2.4003    6.5149    0.0000 C   0  0
    2.6407    7.9956    0.0000 C   0  0
    4.0431    8.5278    0.0000 C   0  0
    5.2052    7.5794    0.0000 C   0  0
    6.6076    8.1116    0.0000 O   0  0
    4.9649    6.0988    0.0000 C   0  0
    3.5625    5.5665    0.0000 C   0  0
   -2.0931    1.6049    0.0000 C   0  0
   -3.5746    1.8395    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  0
   -3.1247   -2.0836    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  1
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
  6 19  1  0
 19 20  2  0
 19 21  1  0
 21  5  1  0
 21 22  1  0
 22  2  1  0
 22 23  1  6
 23 24  1  0
 23 25  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11435

> <plate>
PLATE 007

> <well>
A5

> <supplier_cmpd_name>
Amoxicillin

> <ctcr_id>
4342

> <supplier_cmpd_id>
T1005

> <smiles>
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O

> <pd_targets>
{KDM4E,LMNA,AMPC,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PBP1}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein",Enzyme,Eraser,Hydrolase,Protease,"Lysine demethylase","Serine protease","Jumonji domain-containing","Serine protease SE clan","Serine protease S11 famil
y"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CYP2C19,SLC15A1,SLC15A2,SLC22A6}

> <broad_moa>
{"penicillin binding protein inhibitor"}

> <synonyms>
{L-Amoxicillin,LAmoxicillin,"Amoxicillin, L-","Amoxicillin, L",26889-93-0,26889930,UNII-623M8I9SZN,UNII623M8I9SZN,"Amoxicillin related compound B",623M8I9SZN,CAS-26787-78-0,CAS26787780,"Amoxicillin tr
ihydrate impurity B (EP)",Spectrum_000048,Spectrum000048,Spectrum-000048,"Spectrum 000048",Spectrum2_000145,Spectrum2000145,Spectrum2-000145,"Spectrum2 000145",Spectrum3_000300,Spectrum3000300,Spectru
m3-000300,"Spectrum3 000300",Spectrum4_000148,Spectrum4000148,Spectrum4-000148,"Spectrum4 000148",Spectrum5_000810,Spectrum5000810,Spectrum5-000810,"Spectrum5 000810",T1005,T1005L,1500120,Amoxicillin,
"Amoxicillin trihydrate",AMOXICILLIN}

> <pdid>
PD002475

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{32324,40469541}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
   10.3146   -2.2635    0.0000 Br  0  5
    6.0523   -8.0135    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  3
    6.4897   -5.2632    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.5141   -6.7763    0.0000 C   0  0
    7.8139   -6.0275    0.0000 C   0  0
    6.5135   -7.7763    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 12  1  0
 25 20  1  0
  5 26  1  0
 26 27  1  0
 26 28  1  0
M  CHG  2   1  -1   5   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11436

> <plate>
PLATE 007

> <well>
A6

> <supplier_cmpd_name>
Propantheline bromide

> <ctcr_id>
4149

> <supplier_cmpd_id>
T1006

> <smiles>
[Br-].CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C

> <pd_targets>
{PMP22,LMNA,APEX1,RECQL,MAPT,TDP1,CHRM4,NFKB1,TSHR,CHRM1,CYP3A4,CYP1A2,CYP2D6,CHRM2,CHRM3}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein",Enzyme,"Other cytosolic protein","Membrane receptor",Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family 
A GPCR)","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 1","Cytochrome P450 family 2","Monoamine receptor","Glycohormone receptor","Cytochrome P450 family 3A","C
ytochrome P450 family 1A","Cytochrome P450 family 2D","Acetylcholine receptor","Cytochrome P450 3A4","Cytochrome P450 1A1","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Acetylcholine receptors (muscarinic)","Glycoprotein hormone receptors","CYP3 family","CYP1 family","CYP2 family: drug metabolising s
ubset"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","DNA Repair","Neuronal System","Signal Transduction","Immune System",Disease,Metabolism,"Nervous system development",Mitotic,"Base Excision Repair","Transmission 
across Chemical Synapses","DNA Double-Strand Break Repair","Signaling by GPCR","Cytokine Signaling in Immune system","Infectious disease","Metabolism of lipids","Biological oxidations","EGR2 and SOX10
-mediated initiation of Schwann cell myelination","M Phase","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and postsynaptic signal transmission","Nonhomologous End-Joining (NHEJ)"
,"GPCR ligand binding","Signaling by Interleukins","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Mitotic Metaphase and 
Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Activation of NMDA receptors and postsynaptic events","Class A/1 (Rhodopsin-like receptors)","Interleukin-1 fa
mily signaling","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision 
Repair","Post NMDA receptor activation events","Amine ligand-binding receptors","Interleukin-1 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins
",Xenobiotics,"Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","ADORA2B mediated anti-infl
ammatory cytokines production","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Reformatio
n"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"PROPANTHELINE BROMIDE",50-34-0,50340,Pro-Banthine,ProBanthine,"Propantheline (bromide)",UNII-UX9Z118X9F,UNIIUX9Z118X9F,"(2-Hydroxyethyl)diisopropylmethylammonium bromide xanthene-9-carboxylate","(2H
ydroxyethyl)diisopropylmethylammonium bromide xanthene9carboxylate",MLS000028703,UX9Z118X9F,methyl-di(propan-2-yl)-(2-(9H-xanthene-9-carbonyloxy)eth,methyldi(propan2yl)(2(9Hxanthene9carbonyloxy)eth,T1
006,SAM002554922,1500511,Prestw-827,"Propantheline bromide",CPD000058661}

> <pdid>
PD009722

> <targets>
{}

> <classes>
{anticholinergic}

> <pubchem_cids>
{9279,521275}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  1  0            999 V2000
    6.3990    1.2121    0.0000 O   0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.0479    2.0470    0.0000 C   0  0  2  0  0  0
   -3.4926    2.4305    0.0000 N   0  0
   -4.5521    1.3675    0.0000 C   0  0
   -4.1610   -0.0806    0.0000 O   0  0
   -6.0026    1.7526    0.0000 C   0  0  2  0  0  0
   -6.3937    3.2007    0.0000 N   0  0
   -7.0621    0.6896    0.0000 C   0  0
   -8.5125    1.0724    0.0000 C   0  0
   -9.5692    0.0078    0.0000 C   0  0
   -9.1756   -1.4396    0.0000 C   0  0
   -7.7253   -1.8225    0.0000 C   0  0
   -6.6686   -0.7579    0.0000 C   0  0
   -0.7488    2.7970    0.0000 C   0  0
   -0.3606    4.2459    0.0000 O   0  0
    2.6003    1.4978    0.0000 C   0  0
    2.6029    2.9978    0.0000 O   0  0
    3.8983    0.7459    0.0000 O   0  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  6
  7  8  1  0
  8  3  1  0
  6  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
  9 21  1  0
 21  5  1  0
 21 22  2  0
  4 23  1  0
 23 24  1  0
 23 25  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11437

> <plate>
PLATE 007

> <well>
A7

> <supplier_cmpd_name>
Cephalexin

> <ctcr_id>
1392

> <supplier_cmpd_id>
T1008

> <smiles>
O.CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(O)=O

> <pd_targets>
{KMT2A,BLM,MAPT,ALD,MAPK1,FFP,HPGD,TDP1,ALDH1A1,SLC15A2,PBP3,PBP2A,PBP1B,PENA,PBPA,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other cytosolic protein",Transporter,"Unclassified protein",Reader,Kinase,Transferase,Hydrolase,Oxidoreductase,"Electrochemical transporter",Protease,Bromodomain,"Prote
in Kinase","SLC superfamily of solute carriers","Serine protease","CMGC protein kinase group","SLC15 family of peptide transporters","Serine protease SE clan","CMGC protein kinase MAPK family","Serine
 protease S11 family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Eicosanoid turnover","SLC superfamily of solute carriers","2.1.1.43 Histone methyltransferases (HMTs)","CMGC: Containing CDK
",MAPK,GSK3,"CLK families","Prostaglandin synthases","SLC15 family of peptide transporters","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair","Neuronal System","Immune System",Metabolism,"Transport of small molecules","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Transmis
sion across Chemical Synapses","Innate Immune System","Metabolism of lipids","Biological oxidations","SLC-mediated transmembrane transport","Generic Transcription Pathway","Homology Directed Repair","
Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Nonhomologous End-Joining (NHEJ)","Phase I -
 Functionalization of compounds","Transport of inorganic cations/anions and amino acids/oligopeptides","Transcriptional regulation by RUNX1","HDR through Homologous Recombination (HRR) or Single Stran
d Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Proton/oligopeptide cotransporte
rs","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events","MyD88 cascade initiated
 on plasma membrane","Biosynthesis of D-series resolvins","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","MAP kinase activation","Presynaptic phase of homologou
s DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{"Cephalexin monohydrate","Cephalexin hydrate",cephalexin,23325-78-2,23325782,"23325 78 2","cefalexin monohydrate","cefalexin hydrate",Sinthecillin,Palitrex,"Cephalexin (monohydrate)",UNII-OBN7UDS42Y,
UNIIOBN7UDS42Y,"UNII OBN7UDS42Y",Prestw-358}

> <pdid>
PD001422

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{62921}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    6.4833   -9.7648    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    3.8912   -5.2578    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.5133   -2.9102    0.0000 C   0  0
    1.9910   -3.1685    0.0000 C   0  0
    2.5062   -4.5772    0.0000 C   0  0
    1.5439   -5.7278    0.0000 C   0  0
    0.0662   -5.4697    0.0000 C   0  0
   -0.8961   -6.6203    0.0000 Cl  0  0
   -0.4490   -4.0609    0.0000 C   0  0
   -1.9267   -3.8029    0.0000 Cl  0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8926   -3.7566    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 11  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 18  1  0
 24 25  1  0
 16 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 15 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11438

> <plate>
PLATE 007

> <well>
A8

> <supplier_cmpd_name>
Clevidipine butyrate

> <ctcr_id>
4176

> <supplier_cmpd_id>
T0999

> <smiles>
CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C

> <pd_targets>
{ABCB11,CACNA1C,CACNA1D,CACNA1F,CACNA1S}

> <pathway_gtopdb>
{Transporter,"Ion channel","Primary active transporter","Voltage-gated ion channel","ATP-binding cassette","Voltage-gated calcium channel","ABCB subfamily"}

> <pathway_chembl>
{Transporters,"Ion channels","ATP-binding cassette transporter family","Voltage-gated ion channels","ABCB subfamily","Voltage-gated calcium channels"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Metabolism of lipids","Nervous system development","Metabolism of steroids","Axon guidance","Bile acid and bile salt metabolism","NCAM signaling for neurite out-gr
owth","Synthesis of bile acids and bile salts","NCAM1 interactions","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{CACNA1C,CACNA1D,CACNA1F,CACNA1S}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{Clevidipine,"Clevidipine butyrate",167221-71-8,167221718,"167221 71 8",Cleviprex,Clevelox,rac-Clevidipine,racClevidipine,"rac Clevidipine",(-)-R-Clevidipine,()RClevidipine,"( ) R Clevidipine",166432-
28-6,166432286,"166432 28 6",SR-01000945183,SR01000945183,"SR 01000945183","Clevidipine (USAN:INN)","Cleviprex (TN)","H 324/38","Clevidipine, Cleviprex","Cleviprex (Clevidipine)",T0999,S2080,"Clevidip
ine Butyrate"}

> <pdid>
PD009347

> <targets>
{"Calcium Channel"}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{153994}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 35  0  0  0  0            999 V2000
    7.5987    1.1057    0.0000 Cl  0  0
    5.0987    1.1057    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 N   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 N   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -14.2989    0.7273    0.0000 C   0  0
  -15.6002    1.4750    0.0000 C   0  0
  -16.8989    0.7228    0.0000 N   0  0
  -18.2002    1.4705    0.0000 C   0  0
  -18.2028    2.9705    0.0000 N   0  0
  -19.4989    0.7182    0.0000 N   0  0
  -20.8002    1.4660    0.0000 C   0  0
  -20.8028    2.9660    0.0000 N   0  0
  -22.0989    0.7137    0.0000 N   0  0
  -23.4002    1.4614    0.0000 C   0  0
  -24.6992    0.7114    0.0000 C   0  0
  -25.9983    1.4614    0.0000 C   0  0
  -25.9983    2.9614    0.0000 C   0  0
  -27.2974    3.7114    0.0000 Cl  0  0
  -24.6993    3.7115    0.0000 C   0  0
  -23.4003    2.9615    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 34 28  1  0
  7 35  1  0
 35 36  2  0
 36  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11439

> <plate>
PLATE 007

> <well>
A9

> <supplier_cmpd_name>
Chlorhexidine

> <ctcr_id>
3984

> <supplier_cmpd_id>
T1000

> <smiles>
Cl.Cl.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1

> <pd_targets>
{TP53,MAPT,CYP3A4,ALOX15,BLM,RORC,MAPK1,USP2,KMT2A,MEN1,PLIN1,SLC47A1,TSHR,UBE2N,GBA,RCE1,TIM10,PLIN5,SMOX,MMP2,FFP,PAOX,CYP2C19,HKDC1,CYP1A2,MMP9,LMNA,HTT,CYP2D6,HNF4A,MAP4K2,CYP2C9,RAD52,TPR,HIF1A,L
EF,MC4R,SLC22A2,PAX8,SYNJ2,SLC22A3,SLC47A2,SLC22A1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other cytosolic protein","Epigenetic regulator","Unclassified protein",Transporter,"Membrane receptor","Other nuclear protein",Protease,"Cytochrome P450",Oxidoreductase
,"Nuclear receptor",Kinase,Reader,"Electrochemical transporter","Family A G protein-coupled receptor",Aminoacyltransferase,Transferase,Hydrolase,"Cysteine protease","Cytochrome P450 family 3","Nuclear
 hormone receptor subfamily 1","Protein Kinase",Bromodomain,"SLC superfamily of solute carriers","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 2","Cytochrome P450 famil
y 1","Cysteine protease CA clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","SLC47 family of multidrug and toxin extrusion transporters","Gl
ycohormone receptor","Metallo protease MAM clan","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 2D","STE protein kinase group","Metallo protease MAE clan","Short pepti
de receptor (family A GPCR)","SLC22 family of organic cation and anion transporters","Cysteine protease C1A family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","CMGC 
protein kinase MAPK family","Cysteine protease C19 family","Metallo protease M10A subfamily","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 2D6","STE protein kinase STE20 family","Cytoc
hrome P450 2C9","Metallo protease M34 family","Melanocortin receptor","CMGC protein kinase ERK1","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","Eicosanoid turnover","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Peptidases and proteinases","SLC superfamily of solute carriers","G protein-
coupled receptors","3.2.1.- Glycosidases","Inositol phosphate turnover","CYP3 family",Lipoxygenases,"1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C
) Peptidases","SLC47 family of multidrug and toxin extrusion transporters","Glycoprotein hormone receptors","MA: Metallo (M) Peptidases","CYP2 family: drug metabolising subset","CYP1 family","2A. Hepa
tocyte nuclear factor-4 receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Melanocortin receptors","SLC22 family of organic cation and anion transporters","Inositol polyp
hosphate phosphatases","Mitogen-activated protein kinases (MAP kinases)","C19: Ubiquitin-specific protease","M10: Matrix metallopeptidase","STE20 family","Organic cation transporters (OCT)","ERK subfa
mily","KHS subfamily"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System",Metabolism,"DNA Repair","Gene expression (Transcription)","Immune System","Transport of small molecules",Disease,"Developmental Biology","Cellular responses to external
 stimuli","Cell Cycle Checkpoints","Transmission across Chemical Synapses","Metabolism of lipids","DNA Double-Strand Break Repair","RNA Polymerase II Transcription","Innate Immune System","SLC-mediate
d transmembrane transport","Infectious disease","Biological oxidations","Nervous system development",Mitotic,"Cellular responses to stress","G1/S DNA Damage Checkpoints","Neurotransmitter receptors an
d postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Generic Transcription Pathway","Toll-like Receptor Cascades","Triglyceride m
etabolism","Transport of bile salts and organic acids","metal ions and amine compounds","Leishmania infection","Sphingolipid metabolism","Phase I - Functionalization of compounds","Axon guidance","M P
hase","Cellular response to hypoxia","Uptake and actions of bacterial toxins","Phospholipid metabolism","p53-Dependent G1/S DNA damage checkpoint","Activation of NMDA receptors and postsynaptic events
","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Toll Like R
eceptor 5 (TLR5) Cascade","Transcriptional Regulation by TP53","Triglyceride catabolism","Leishmania parasite growth and survival","Toll Like Receptor 4 (TLR4) Cascade","Glycosphingolipid metabolism",
"Amine Oxidase reactions","EPH-Ephrin signaling","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Nuclear Receptor transcription p
athway","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Uptake and function of anthrax toxins","Organic cation/anion/zwitterion transport","PI Metabolism","p53-Dependent G1
 DNA Damage Response","Post NMDA receptor activation events","Biosynthesis of maresins","Biosynthesis of DPAn-3 SPMs","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and 
Cell Migration","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","MyD88-independent TLR4 cascade","PAOs o
xidise polyamines to amines","EPH-ephrin mediated repulsion of cells",Xenobiotics,"Mitotic Anaphase","Regulation of MECP2 expression and activity","HDR through Single Strand Annealing (SSA)","Organic 
cation transport","Synthesis of PIPs at the plasma membrane","Stabilization of p53","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protec
tins and resolvins","Homologous DNA Pairing and Strand Exchange","MAP kinase activation","Regulation of TP53 Expression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","TRIF
(TICAM1)-mediated TLR4 signaling","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Autodegradation of the E3 ubiquitin ligase C
OP1","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","IKK complex recruitment mediated by RIP1
","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS026750041,"Chlorhexidine dihydrochloride",3697-42-5,3697425,"CHLORHEXIDINE HYDROCHLORIDE","Chlorhexidine HCl",chlorhexidine,chlorhexidinedihydrochloride,UNII-E64XL9U38K,UNIIE64XL9U38K,AY-5312,AY5
312,"Chlorhexidine (dihydrochloride)",C22H32Cl4N10,E64XL9U38K,Chlorhexi,T1147,T1000,1500177,"Chlorhexidine hydrochloride",Chlorhexidine,CHLORHEXIDINE}

> <pdid>
PD009668

> <targets>
{}

> <classes>
{disinfectant,"antibacterial (topical)"}

> <pubchem_cids>
{66810670,9571016,62517}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 23  0  0  0  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    3.8900   -1.4008    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15  9  1  0
  6 16  1  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19  2  1  0
 19 20  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11440

> <plate>
PLATE 007

> <well>
A10

> <supplier_cmpd_name>
Aquacrine

> <ctcr_id>
7976

> <supplier_cmpd_id>
T1009

> <smiles>
CC12CCC3C(CCc4cc(O)ccc34)C1CCC2=O

> <pd_targets>
{MAPT,SERPINA6,HSD17B1,HIF1A,BLM,HSD17B10,CYP3A4,CYP1A2,PGR,ESR1,ESR2,LMNA,NFKB1,PMP22,STS,AR,NFO,CYP19A1,ALOX15,SHBG,HTR2B,SLC6A4,ABCG2,SLCO1A1}

> <pathway_gtopdb>
{"Other cytosolic protein","Secreted protein",Enzyme,"Transcription factor","Other nuclear protein","Unclassified protein","Membrane receptor",Transporter,Oxidoreductase,"Cytochrome P450","Nuclear rec
eptor",Hydrolase,"Family A G protein-coupled receptor","Electrochemical transporter","Primary active transporter","Cytochrome P450 family 3","Cytochrome P450 family 1","Nuclear hormone receptor subfam
ily 3","Cytochrome P450 family 19","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","ATP-binding cassette","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Nuclea
r hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group A","Cytochrome P450 family 19A","Monoamine receptor","SLC06 neurotransmitter transporter family","ABCG subfamily","S
LC21/SLCO family of organic anion transporting polypeptides","Cytochrome P450 3A4","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 g
roup A member 1","Nuclear hormone receptor subfamily 3 group A member 2","Nuclear hormone receptor subfamily 3 group C member 4","Cytochrome P450 19A1","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","Nuclear hormone receptors","Eicosanoid turnover","G protein-coupled receptors","SLC superfamily of solute carriers","ATP-binding cassette transporter
 family","CYP3 family","CYP1 family","Steroid hormone receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families",Lipoxygenases,"5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","
ABCG subfamily","3A. Estrogen receptors","3C. 3-Ketosteroid receptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Signal Transduction","Cellular responses to external stimuli","DNA Repair","Gene expression (Transcription)","Cell Cycle","Immune System","Developmental Biology","Transm
ission across Chemical Synapses","Metabolism of lipids","Signaling by GPCR","Cellular responses to stress","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives","Biological oxid
ations","RNA Polymerase II Transcription","Intracellular signaling by second messengers",Mitotic,"Cytokine Signaling in Immune system","Nervous system development","Abacavir transport and metabolism",
"Neurotransmitter receptors and postsynaptic signal transmission","Metabolism of steroids","GPCR downstream signalling","Cellular response to hypoxia","Homology Directed Repair","Branched-chain amino 
acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Generic Transcription Pathway","PIP3 activates AKT signaling","M Phase","Signal
ing by Interleukins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Sphingolipid metabolism","GPCR ligand binding","Neurotransmitter clearance","Abacavir transmembrane transport","A
ctivation of NMDA receptors and postsynaptic events","Metabolism of steroid hormones","G alpha (i) signalling events","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","HDR th
rough Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX1","Negative
 regulation of the PI3K/AKT network","Mitotic Metaphase and Anaphase","Interleukin-1 family signaling","Glycosphingolipid metabolism","Transcriptional regulation by RUNX2","Biosynthesis of DPA-derived
 SPMs","Class A/1 (Rhodopsin-like receptors)","Serotonin clearance from the synaptic cleft","Post NMDA receptor activation events","Glucocorticoid biosynthesis","Visual phototransduction","HDR through
 Homologous Recombination (HRR)","Biosynthesis of maresins",Xenobiotics,"RUNX1 regulates estrogen receptor mediated transcription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Mitotic Anaphase","
Interleukin-1 signaling","RUNX2 regulates bone development","Endogenous sterols","Biosynthesis of DPAn-3 SPMs","Amine ligand-binding receptors","Activation of AMPK downstream of NMDARs","The canonical
 retinoid cycle in rods (twilight vision)","Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear 
Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","RUNX2 regulates osteoblast differentiation","Biosynthesis of DPAn-3-derived protectins and resolvins","Serotonin receptors","Pre
synaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ESR1,ESR2}

> <broad_moa>
{"estrogen receptor agonist","estrogenic hormone"}

> <synonyms>
{Estrone-d4,Estroned4,"Estrone d4",Estrona,"Menformon A",E1;Oestrone,"Unden (pharmaceutical)",Crinovaryl,Cristallovar,Endofolliculina,Follestrine,Follestrol,Hormofollin,Hormovarine,Ketodestrin,Sollicu
lin,Thelestrin,Thynestron,Aquacrine,Crystogen,De,NSC9699}

> <pdid>
PD002339

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{698}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 24  0  0  0  0            999 V2000
   10.1894    1.1269    0.0000 H   0  3
    7.6894    1.1269    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.1937    3.0092    0.0000 O   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -5.1894    6.0109    0.0000 N   0  0
   -5.1873    7.5117    0.0000 C   0  0
   -6.4848    8.2644    0.0000 C   0  0
   -3.8869    8.2595    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 12 22  1  0
 22 23  2  0
 23  9  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11441

> <plate>
PLATE 007

> <well>
A11

> <supplier_cmpd_name>
Acebutolol hydrochloride

> <ctcr_id>
6599

> <supplier_cmpd_id>
T1012

> <smiles>
[H+].[Cl-].CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O

> <pd_targets>
{KDM4E,ADRB1,HTR1A,SLC22A1,ADRB2}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor",Transporter,Eraser,"Family A G protein-coupled receptor","Electrochemical transporter","Lysine demethylase","Small molecule receptor (family A GPCR)","SLC s
uperfamily of solute carriers","Jumonji domain-containing","Monoamine receptor","SLC22 family of organic cation and anion transporters","Adrenergic receptor","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","G protein-coupled receptors","SLC superfamily of solute carriers","1.14.11.- Histone demethylases",Adrenoceptors,"5-Hydroxytryptamine rec
eptors","SLC22 family of organic cation and anion transporters","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Disease,"Signal Transduction","Transport of small molecules","Infectious disease","Signaling by GPCR","SLC-mediated transmembrane transport","Leishmania infection","GPCR ligand binding","Transport of
 bile salts and organic acids","metal ions and amine compounds","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Organic cation/anion/zwitterion transport","Anti-infla
mmatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Organic cation transport","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors"}

> <broad_targets>
{ADRB1}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{NCGC00018215-06,NCGC0001821506,NCGC00094830-01,NCGC0009483001,"Acebutolol hydrochloride",34381-68-5,34381685,"Acebutolol HCL",Sectral,"Acebutolol (hydrochloride)",Prent,C18H29ClN2O4,MLS000069553,CHEB
I:2380,IL-17803A,IL17803A,"M&B 17803A",SMR000058800,DSSTox_CID_25461,DSSToxCID25461,DSSTox-CID-25461,"DSSTox CID 25461",DSSTox_R,DSSToxR,DSSTox-R,"DSSTox R",T1012,S4010,SAM002264591,1500665,Prestw-69,
"Acebutolol HCl",CPD000058800,"ACEBUTOLOL HYDROCHLORIDE"}

> <pdid>
PD009749

> <targets>
{"Adrenergic Receptor"}

> <classes>
{antianginal,"Neuronal Signaling",antiarrhythmic,antihypertensive}

> <pubchem_cids>
{441307,36816,657184}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 42  0  0  1  0            999 V2000
   14.0990    0.0045    0.0000 O   0  0
   11.5990    0.0045    0.0000 O   0  0
    9.0983   -0.7368    0.0000 N   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0  2  0  0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0  1  0  0  0
   -1.2935    3.7495    0.0000 O   0  0
   -1.2883    5.2495    0.0000 C   0  0  2  0  0  0
    0.0156    5.9928    0.0000 C   0  0
    1.3109    5.2364    0.0000 N   0  0
   -2.5848    6.0040    0.0000 C   0  0  1  0  0  0
   -2.5796    7.5040    0.0000 O   0  0
   -3.8864    5.2585    0.0000 C   0  0  2  0  0  0
   -5.1828    6.0129    0.0000 O   0  0
   -3.8915    3.7585    0.0000 C   0  0  1  0  0  0
   -5.1932    3.0130    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0  1  0  0  0
   -2.6004   -2.9949    0.0000 O   0  0
   -3.9021   -3.7405    0.0000 C   0  0  2  0  0  0
   -5.1977   -2.9829    0.0000 C   0  0
   -5.1903   -1.4829    0.0000 O   0  0
   -3.9072   -5.2404    0.0000 C   0  0  1  0  0  0
   -5.2088   -5.9860    0.0000 O   0  0
   -2.6108   -5.9949    0.0000 C   0  0  2  0  0  0
   -2.6160   -7.4949    0.0000 N   0  0
   -1.3092   -5.2494    0.0000 C   0  0  1  0  0  0
   -0.0127   -6.0039    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  2  0
  8 10  1  0
 11 10  1  1
 11 12  1  0
 12 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  1  6
 17 16  1  6
 17 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  1  0
 19 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  1
 24 26  1  0
 26 17  1  0
 26 27  1  6
 15 28  1  0
 28 29  1  1
 28 30  1  0
 30 11  1  0
 30 31  1  6
 32 31  1  6
 32 33  1  0
 33 34  1  0
 34 35  1  1
 35 36  1  0
 34 37  1  0
 37 38  1  6
 37 39  1  0
 39 40  1  1
 39 41  1  0
 41 32  1  0
 41 42  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11442

> <plate>
PLATE 007

> <well>
B2

> <supplier_cmpd_name>
Amikacin

> <ctcr_id>
5520

> <supplier_cmpd_id>
T1013

> <smiles>
O.O.NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O

> <pd_targets>
{LMNA,RPSL}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial 30S ribosomal subunit inhibitor"}

> <synonyms>
{CHEMBL4303360,HMS2096O11,HMS3713O11,CCG-220395,CCG220395,SR-01000722004,SR01000722004,SR-01000722004-2,SR010007220042,T1013,Prestw-395,Amikacin,"Amikacin hydrate"}

> <pdid>
PD010002

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{20848878}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  1  0            999 V2000
    2.2090   -0.3353    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    2.2500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  1  0  0  0
    2.7095   -0.7710    0.0000 O   0  0
    3.4182   -2.8395    0.0000 C   0  0
    4.8815   -2.5100    0.0000 O   0  0
    2.9720   -4.2725    0.0000 C   0  0
    3.9887   -5.3754    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  6  4  1  1
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16  6  1  0
 16 10  1  0
 16 17  1  1
  7 18  1  0
 18  2  1  0
 18 19  1  1
 19 20  1  0
 20 21  1  0
 21  2  1  0
 21 22  1  6
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11443

> <plate>
PLATE 007

> <well>
B3

> <supplier_cmpd_name>
Prednisone

> <ctcr_id>
4035

> <supplier_cmpd_id>
T1018

> <smiles>
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO

> <pd_targets>
{HIF1A,HSD17B10,NR3C1,KMT2A,MEN1,RORC,ALDH1A1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator",Oxidoreductase,"Nuclear receptor",Reader,"Nuclear hormone receptor subfamily 3",Bromodomain,"Nuclear hormone receptor subfamily 1","Nuclear hormon
e receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","1F. Retinoic acid-related orphans","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"Gene expression (Transcription)","Cellular responses to stress","Metabolism of amino acids and derivatives","RNA Polymerase II Transcription","Bio
logical oxidations","Cellular response to hypoxia","Branched-chain amino acid catabolism","Generic Transcription Pathway","Phase I - Functionalization of compounds","Oxygen-dependent proline hydroxyla
tion of Hypoxia-inducible Factor Alpha","FOXO-mediated transcription","Transcriptional regulation by RUNX3","Ethanol oxidation","FOXO-mediated transcription of oxidative stress","metabolic and neurona
l genes","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{HSD11B1,NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{prednisone,53-03-2,53032,Dehydrocortisone,Decortin,Deltasone,Meticorten,Orasone,Rectodelt,Ultracorten,Dacortin,Encorton,"1,2-Dehydrocortisone","1,2Dehydrocortisone",Deltacortisone,Deltacortone,Ancort
one,Colisone,Decortancyl,Decortisyl,Deltison,Encortone,Paracort,Prednilon,SAM002264641,Prestw-77,CPD001227202,Prednisone}

> <pdid>
PD001789

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5865}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 34  0  0  0  0            999 V2000
    8.8990   -0.0062    0.0000 H   0  3
    6.3990   -0.0062    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -5.2029    2.9932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
   -9.0763    2.2508    0.0000 C   0  0
   -7.7782    3.0025    0.0000 N   0  0
  -10.4029    2.9849    0.0000 C   0  0
  -11.7028    3.7334    0.0000 C   0  0
   -9.1049    3.7367    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -11.6968   -0.7682    0.0000 C   0  0
  -12.9948   -1.5200    0.0000 C   0  0
  -14.2949   -0.7719    0.0000 C   0  0
  -15.5920   -1.5268    0.0000 O   0  0
  -15.5878   -3.0268    0.0000 C   0  0
  -14.2970    0.7281    0.0000 C   0  0
  -15.5963    1.4794    0.0000 O   0  0
  -15.5963    2.9794    0.0000 C   0  0
  -12.9991    1.4800    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  3  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 16 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  2  0
 31 22  1  0
  8 32  1  0
 32 33  2  0
 33  5  1  0
 33 34  1  0
 34 35  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11444

> <plate>
PLATE 007

> <well>
B4

> <supplier_cmpd_name>
Verapamil hydrochloride

> <ctcr_id>
5698

> <supplier_cmpd_id>
T1010

> <smiles>
[H+].[Cl-].COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC

> <pd_targets>
{SCN1A,SCN2A,SCN3A,CACNA1C,CACNA1D,CACNA1S,ABCB1,TPCN1,CYP3A4,ADRA1A,PMP22,LMNA,NPSR1,KCNH2,TSPO,SLC29A4,KCNC2,KCNA7,CHRM2,TPCN2,KCNA10,CYP2C19,ABCB11,CYP2D6,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,CYP2C8,
CRT,CYP2J2,TSHR,NFO,RECQL,KMT2A,MEN1,ABCG2,ABCC1,SLC22A1,HTR2A,HTR2C,ABCB1A,HRH2,HTR1A,DRD3,SLCO1B1,KCNA3,SCN5A,ABCB1B,HTR2B,CACNA1F,SLC6A4,KCNJ6,NALCN,CACNA1B,KCNJ11,CACNA1G,CACNA1H,MAPT,GAA,HTT}

> <pathway_gtopdb>
{"Ion channel",Transporter,Enzyme,"Membrane receptor","Unclassified protein","Other nuclear protein","Epigenetic regulator","Voltage-gated ion channel","Primary active transporter","Cytochrome P450","
Family A G protein-coupled receptor","Electrochemical transporter",Hydrolase,Reader,"Voltage-gated sodium channel","Voltage-gated calcium channel","ATP-binding cassette","Cytochrome P450 family 3","Sm
all molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Potassium channels","SLC superfamily of solute carriers","Cytochrome P450 family 2",Bromodomain,"ABCB subfamily","Cytochrome 
P450 family 3A","Monoamine receptor","Short peptide receptor (family A GPCR)","Voltage-gated potassium channel","SLC28 and SLC29 families of nucleoside transporters","Cytochrome P450 family 2C","Cytoc
hrome P450 family 2D","Glycohormone receptor","ABCG subfamily","ABCC subfamily","SLC22 family of organic cation and anion transporters","SLC21/SLCO family of organic anion transporting polypeptides","
SLC06 neurotransmitter transporter family","Inwardly rectifying potassium channel","Cytochrome P450 3A4","Adrenergic receptor","Neuropeptide receptor","SLC29 Facilitative nucleoside transporter family
","Acetylcholine receptor","Cytochrome P450 2C19","Cytochrome P450 2D6","Cytochrome P450 2C8","Serotonin receptor","Histamine receptor","Dopamine receptor","Other cytosolic protein"}

> <pathway_chembl>
{Transporters,"Ion channels",Enzymes,Receptors,"Other protein targets","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","G protein-coupled receptors","Mitochond
rial-associated proteins","SLC superfamily of solute carriers","Other ion channels","ABCB subfamily","CatSper and Two-Pore channels","Voltage-gated calcium channels","CYP3 family",Adrenoceptors,"Neuro
peptide S receptor","Potassium channels","SLC28 and SLC29 families of nucleoside transporters","Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising subset","Glycoprotein hormone rece
ptors","ABCG subfamily","ABCC subfamily","SLC22 family of organic cation and anion transporters","5-Hydroxytryptamine receptors","Histamine receptors","Dopamine receptors","SLCO family of organic anio
n transporting polypeptides","Voltage-gated sodium channels","SLC6 neurotransmitter transporter family","Sodium leak channel",non-selective,"Voltage-gated potassium channels","SLC29 family","Organic c
ation transporters (OCT)","Monoamine transporter subfamily","Inwardly rectifying potassium channels","3.2.1.- Glycosidases"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Developmental Biology","Signal Transduction","Cell Cycle",Disease,"Muscle contraction","Neuronal System","Abacavir transport and metabolism","Ion channel tr
ansport","Nervous system development","Metabolism of lipids","Signaling by GPCR",Mitotic,"Infectious disease","Cardiac conduction","SLC-mediated transmembrane transport","Integration of energy metabol
ism","Potassium Channels","Biological oxidations","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Abacavir transmembrane transport","Stimuli-sensing channels","Axon 
guidance","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Leishmania infection","Phase 3 -
 rapid repolarisation","Metabolism of steroids","Transport of vitamins",nucleosides,"and related molecules","Regulation of insulin secretion","Voltage gated Potassium channels","Phase I - Functionaliz
ation of compounds","Fatty acid metabolism","Transport of bile salts and organic acids","metal ions and amine compounds","Neurotransmitter clearance","Neurotransmitter receptors and postsynaptic signa
l transmission","Presynaptic depolarization and calcium channel opening","ABC transporter disorders","NCAM signaling for neurite out-growth","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-li
ke receptors)","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Metabolism of steroid hormones","Transport of nucleosides and free purine and pyrimidine bases across the pla
sma membrane","Glucagon-like Peptide-1 (GLP1) regulates insulin secretion","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Arachidonic acid metabolism","Organic ca
tion/anion/zwitterion transport","L1CAM interactions","Serotonin clearance from the synaptic cleft","GABA receptor activation","Defective ABCC8 can cause hypo- and hyper-glycemias","NCAM1 interactions
","Biosynthesis of maresins","Amine ligand-binding receptors","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Pregnenolone biosynthesis",Xenobiotics,"Synthesis
 of bile acids and bile salts","Fatty acids","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Organic cation transport","Recycling of bile acids and salts","Interaction between L1 and Ankyrins","GABA
 B receptor activation","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine recepto
rs","CYP2E1 reactions","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Serotonin receptors","Dopamine receptors","Activation of GABAB receptors","Initiation of Nuclear Envelope
 (NE) Reformation","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Gene expression (Transcription)","Diseases of metabolism","RNA Polymerase II Transcription","Diseases of carbo
hydrate metabolism","Generic Transcription Pathway","Activation of NMDA receptors and postsynaptic events","Glycogen storage diseases","Transcriptional Regulation by MECP2","Post NMDA receptor activat
ion events","Glycogen storage disease type II (GAA)","Regulation of MECP2 expression and activity","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{CACNA1A,CACNA1B,CACNA1C,CACNA1D,CACNA1F,CACNA1G,CACNA1I,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,CYP3A4,KCNA10,KCNA7,KCNH2,KCNJ11,NALCN,SCN5A,SLC29A4,SLC6A4}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"Verapamil hydrochloride",152-11-4,152114,"Verapamil HCl",Manidon,Cordilox,"Calcan hydrochloride","(+/-)-VERAPAMIL HYDROCHLORIDE","(+/)VERAPAMIL HYDROCHLORIDE",Cardibeltin,Cardiabeltin,Cardioprotect,
Veroptinstada,Berkatens,Calaptin,Cardiagutt,Caveril,Civicor,Coraver,NSC657799,2300307,Prestw-141,"NSC 657799","VERAPAMIL HYDROCHLORIDE"}

> <pdid>
PD009864

> <targets>
{}

> <classes>
{"Ca channel blocker",antiarrhythmic,"adrenegic blocker","coronary vasodilator"}

> <pubchem_cids>
{62969,16639402,657390}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 49 55  0  0  0  0            999 V2000
    8.8145   -2.9122    0.0000 C   0  0
    7.3222   -3.0635    0.0000 C   0  0
    6.4437   -1.8466    0.0000 C   0  0
    7.0583   -0.4784    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 C   0  0
   -6.5050    5.2446    0.0000 C   0  0
   -7.8065    5.9905    0.0000 C   0  0
   -9.1031    5.2364    0.0000 C   0  0
  -10.4068    5.9800    0.0000 O   0  0
  -11.7031    5.2236    0.0000 C   0  0
  -13.0067    5.9672    0.0000 C   0  0
  -14.3561    5.3419    0.0000 C   0  0
  -15.3634    6.4534    0.0000 O   0  0
  -14.6175    7.7548    0.0000 C   0  0
  -16.0996    7.8819    0.0000 C   0  0
  -16.9783    6.6652    0.0000 N   0  0
  -18.4648    6.6588    0.0000 C   0  0
  -18.9050    5.2249    0.0000 N   0  0
  -17.6773    4.3631    0.0000 C   0  0
  -16.4783    5.2644    0.0000 N   0  0
  -13.1493    7.4476    0.0000 O   0  0
  -13.7278    8.9473    0.0000 C   0  0
  -12.2381    8.7717    0.0000 C   0  0
  -11.3411    9.9739    0.0000 C   0  0
  -11.9338   11.3519    0.0000 C   0  0
  -11.0369   12.5541    0.0000 Cl  0  0
  -13.4235   11.5275    0.0000 C   0  0
  -14.3205   10.3253    0.0000 C   0  0
  -15.8102   10.5009    0.0000 Cl  0  0
   -9.0983    3.7364    0.0000 C   0  0
   -7.7969    2.9905    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9  5  1  0
  9 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 34  1  0
 32 39  1  0
 39 29  1  0
 32 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 43 45  1  0
 45 46  2  0
 46 40  1  0
 46 47  1  0
 26 48  1  0
 48 49  2  0
 49 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11445

> <plate>
PLATE 007

> <well>
B5

> <supplier_cmpd_name>
Itraconazole

> <ctcr_id>
6413

> <supplier_cmpd_id>
T1011

> <smiles>
CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4

> <pd_targets>
{MAPK1,LMNA,MAPT,CYP3A4,CYP8B1,HIF1A,ABCB1,KMT2A,MEN1,CYP51B,ABCB11,AVPR2,ABCB1A,ABCB1B,CCR4,CXCR1,FYN,CYP51A1,ERG11}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Other cytosolic protein","Transcription factor",Transporter,"Epigenetic regulator","Membrane receptor",Kinase,"Cytochrome P450",Oxidoreductase,"Primary active transpor
ter",Protease,Reader,"Family A G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 3","ATP-binding cassette","Cysteine protease",Bromodomain,"Cytochrome P450 family 51","Peptide recep
tor (family A GPCR)","CMGC protein kinase group","Cytochrome P450 family 3A","ABCB subfamily","Cysteine protease CA clan","Cytochrome P450 family 51A","Short peptide receptor (family A GPCR)","Chemoki
ne receptor","TK protein kinase group","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Cysteine protease C1A family","Cytochrome P450 51A1","Vasopressin and oxytocin receptor","CC chemokine r
eceptor","CXC chemokine receptor","Tyrosine protein kinase Src family","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Kinases (EC 2.7.x.x)","Cytochrome P450","ATP-binding cassette transporter family","G protein-coupled receptors","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,
"CLK families","CYP3 family",CYP5,"CYP7 and CYP8 families","ABCB subfamily","Vasopressin and oxytocin receptors","Chemokine receptors","Receptor kinases",CYP39,"CYP46 and CYP51 families","Mitogen-acti
vated protein kinases (MAP kinases)","TK: Tyrosine kinase","ERK subfamily","Non-receptor tyrosine kinases (nRTKs)","Src family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Neuronal System",Metabolism,"Cellular responses to external stimuli",Disease,"Signal Transduction","Innate Immune System",Mitotic,"Transmission across Chemical Synapses"
,"Metabolism of lipids","Biological oxidations","Cellular responses to stress","Abacavir transport and metabolism","Infectious disease","Signaling by GPCR","Toll-like Receptor Cascades","M Phase","Neu
rotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular response to hypoxia","Aba
cavir transmembrane transport","Metabolism of steroids","Leishmania infection","GPCR ligand binding","HIV Infection","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Activation 
of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha",
"Bile acid and bile salt metabolism","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Host Interactions of HIV factors","MyD88 cascade initiated on plasma membrane","M
itotic Anaphase","Post NMDA receptor activation events","Biosynthesis of maresins","Endogenous sterols","Synthesis of bile acids and bile salts","Anti-inflammatory response favouring Leishmania parasi
te infection","Peptide ligand-binding receptors","The role of Nef in HIV-1 replication and disease pathogenesis","MAP kinase activation","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstre
am of NMDARs","Biosynthesis of maresin-like SPMs","Sterols are 12-hydroxylated by CYP8B1","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","ADORA2B mediated anti-inflammatory cyt
okines production","Chemokine receptors bind chemokines","Nef and signal transduction","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAP
K targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{itraconazole,84625-61-6,84625616,Sporanox,"Itraconazolum (Latin)",ITRAZOLE,Itraconazol,MLS000863291,SMR000058959,"R 51211",R-51211,R51211,1217512-35-0,1217512350,"Itraconazole Impurity E",SR-01000003
153,SR01000003153,252964-65-1,252964651,Itraconzaole,Itraconazole-d3,Itraconazoled3,Itraconazole-d5,Itraconazoled5,t,T1011,I6657,SAM001246679,Prestw-1139,S2476,Itraconazole,CPD000058959}

> <pdid>
PD002960

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3793}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 43  0  0  1  0            999 V2000
    6.3990   -6.3774    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -5.1961   -7.5000    0.0000 C   0  0  2  0  0  0
   -6.4764   -6.7185    0.0000 O   0  0
   -3.8971   -8.2500    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0  2  0  0  0
   -1.2998   -8.2531    0.0000 O   0  0
   -1.3019   -9.7539    0.0000 C   0  0
   -0.0055  -10.5085    0.0000 C   0  0
   -0.0107  -12.0085    0.0000 C   0  0
    1.2858  -12.7630    0.0000 N   0  0
   -1.3123  -12.7540    0.0000 C   0  0
   -1.3175  -14.2540    0.0000 O   0  0
   -2.6087  -11.9995    0.0000 C   0  0
   -3.9104  -12.7450    0.0000 C   0  0
   -2.6036  -10.4995    0.0000 O   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1596   -8.9800    0.0000 C   0  0
   -6.4587   -9.7299    0.0000 O   0  0
   -3.8602   -9.7310    0.0000 C   0  0
   -3.8599  -11.2310    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 21  1  0
 19 30  1  0
 30 14  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 11  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36  4  1  0
 36  8  2  0
 16 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11446

> <plate>
PLATE 007

> <well>
B6

> <supplier_cmpd_name>
Doxorubicin hydrochloride

> <ctcr_id>
3694

> <supplier_cmpd_id>
T1020

> <smiles>
Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO

> <pd_targets>
{HSP90AA1,HSP90AB1,HIF1A,MAPT,RORC,MAPK1,POLB,SKA,FTL,KEAP1,NFE2L2,S100A4,THRB,STX1,ALDH1A1,FFP,NS1,ALD,GLF,KMT2A,MEN1,RECQL,KDM4E,STAT6,APAF1,BLM,USP2,TGR,NPSR1,CYP3A4,TIM23,BRCA1,POL,"REVERSE TRANSC
RIPTASE",HINDIIIR,NR5A1,TOP1,TOP2A,TOP2B,RAD51,HTR1B,HTR4,CISD1,LANA1,TERT,RNASE1,ALOX15,CASP9,CASP1,MMP2,ABCB1,PAX8,DHCR7,EBP,ABCC1,CHRM1,ERBB2,LCK,EPAS1,SLCO1B3,AURKA,FYN,ABCC4,NS3,HTT}

> <pathway_gtopdb>
{"Other cytosolic protein","Transcription factor",Enzyme,"Unclassified protein","Epigenetic regulator","Membrane receptor",Transporter,"Nuclear receptor",Kinase,Oxidoreductase,Transferase,Isomerase,Re
ader,Eraser,Protease,"Family A G protein-coupled receptor","Cytochrome P450",Hydrolase,"Primary active transporter","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Protein Kinase
",Bromodomain,"Lysine demethylase","Cysteine protease","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 5","Small molecule receptor (family A GPCR)","M
etallo protease","ATP-binding cassette","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group A","
Jumonji domain-containing","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 5 group A","Monoamine receptor","Cystein
e protease CD clan","Metallo protease MAM clan","ABCB subfamily","ABCC subfamily","TK protein kinase group","SLC21/SLCO family of organic anion transporting polypeptides","Other protein kinase group",
"Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine protease C1A family","Cysteine protease C19 
family","Neuropeptide receptor","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 5 group A member 1","Serotonin receptor","Cysteine protease C14 family","Metallo protease M10A subfamily","Ace
tylcholine receptor","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Other protein kinase AUR family","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA","Serine prot
ease","Serine protease PA clan","Serine protease S29 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Transcription factors","Peptidases and proteinases","G protein
-coupled receptors","Cytochrome P450","Heat shock proteins","DNA topoisomerases","Eicosanoid turnover","ATP-binding cassette transporter family","Catalytic receptors","SLC superfamily of solute carrie
rs","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1A. Thyroid hormone receptors","1.14.11.- Histone demethylases","STAT transcription factors","CA: Cysteine (C) 
Peptidases","Neuropeptide S receptor","CYP3 family","5A. Fushi tarazu F1-like receptors","5-Hydroxytryptamine receptors",Lipoxygenases,"CD: Cysteine (C) Peptidases","MA: Metallo (M) Peptidases","ABCB 
subfamily","ABCC subfamily","Acetylcholine receptors (muscarinic)","Receptor kinases","SLCO family of organic anion transporting polypeptides","Mitogen-activated protein kinases (MAP kinases)","C19: U
biquitin-specific protease","C14: Caspase","M10: Matrix metallopeptidase","TK: Tyrosine kinase","Other protein kinases","ERK subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinase
s (nRTKs)","Aurora kinase (Aur) family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Neuronal System","Gene expression (Transcription)","Immune System","DNA Repair","Vesicle-mediated transport","Metabolism of proteins",Metabolism,"Programmed 
Cell Death",Disease,"Cell Cycle","Signal Transduction",Autophagy,"Developmental Biology",Hemostasis,"Cellular responses to stress","Transmission across Chemical Synapses","RNA Polymerase II Transcript
ion","Innate Immune System","Base Excision Repair","Membrane Trafficking","Post-translational protein modification","Biological oxidations",Apoptosis,"DNA Double-Strand Break Repair","Infectious disea
se","Metabolism of lipids",Mitotic,"Signaling by GPCR","Chromosome Maintenance","Chaperone Mediated Autophagy","Nervous system development","Abacavir transport and metabolism","Platelet activation","s
ignaling and aggregation","Cellular response to hypoxia","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Toll-like Receptor Cascades","Resolution of 
Abasic Sites (AP sites)","trans-Golgi Network Vesicle Budding",SUMOylation,"Phase I - Functionalization of compounds","Cytosolic sensors of pathogen-associated DNA","Intrinsic Pathway for Apoptosis","
Homology Directed Repair","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G2-G2/M phases","Mitotic G1 phase and G1/S transition","GPCR ligand binding","Telo
mere Maintenance","Axon guidance","Abacavir transmembrane transport","Fatty acid metabolism","HIV Infection","Metabolism of steroids","Response to elevated platelet cytosolic Ca2+","Oxygen-dependent p
roline hydroxylation of Hypoxia-inducible Factor Alpha","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5) Cascade","Resolution o
f AP sites via the multiple-nucleotide patch replacement pathway","Golgi Associated Vesicle Biogenesis","SUMO E3 ligases SUMOylate target proteins","Ethanol oxidation","STING mediated induction of hos
t immune responses","Apoptotic factor-mediated response","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by TP53","Leishmania parasite growth 
and survival","Biosynthesis of DHA-derived SPMs","G2/M Transition","G0 and Early G1","Class A/1 (Rhodopsin-like receptors)","Extension of Telomeres","Biosynthesis of DPA-derived SPMs","EPH-Ephrin sign
aling","Arachidonic acid metabolism","Semaphorin interactions","Host Interactions of HIV factors","Bile acid and bile salt metabolism","Platelet degranulation","Post NMDA receptor activation events","
RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma membrane","PCNA-Dependent Long Patch Base Excision Repair","SUMOylation of intracellular receptors","STAT6-mediat
ed induction of chemokines","Cytochrome c-mediated apoptotic response","HDR through Homologous Recombination (HRR)","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania paras
ite infection","Biosynthesis of maresins","Centrosome maturation","SUMOylation of DNA replication proteins","Transcription of E2F targets under negative control by DREAM complex","Amine ligand-binding
 receptors","Telomere Extension By Telomerase","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of Cell Death Genes","EPH-ephrin mediated repulsion of cells","Synthesis of Leukotrienes (LT)
 and Eoxins (EX)","Sema4D in semaphorin signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Recycling of bile acids and salts","Activation of AMPK downstream of NMDARs","MAP ki
nase activation","Formation of apoptosome","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","Biosy
nthesis of maresin-like SPMs","Loss of proteins required for interphase microtubule organization from the centrosome","Serotonin receptors","Biosynthesis of DPAn-3-derived protectins and resolvins","T
P53 Regulates Transcription of Caspase Activators and Caspases","Muscarinic acetylcholine receptors","Sema4D induced cell migration and growth-cone collapse","Nef-mediates down modulation of cell surf
ace receptors by recruiting them to clathrin adapters","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","MAPK targets/ Nuclear events mediated by MAP kinases","Regul
ation of the apoptosome activity","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","Nef Mediated CD4 Down-regul
ation","ERK/MAPK targets","ERKs are inactivated","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX1","Regulation of MECP2 expression and activity","RUNX1 regulates genes involv
ed in megakaryocyte differentiation and platelet function"}

> <broad_targets>
{CHD1,TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{"ADM hydrochloride",25316-40-9,25316409,"Hydroxydaunorubicin hydrochloride","Epirubicin HCl","FI 6804","4-epi-Adriamycin hydrochloride","4'epiAdriamycin hydrochloride",56390-09-1,56390091,MLS00270210
7,"DOX HCl",NSC123127,"Doxorubicin, Hydrochloride",14-Hydroxydaunorubicin,14Hydroxydaunorubicin,"Doxorubicin hydrochloride_AOD",T0125,T1020,123127,NSC256942,"NSC 123127","Epirubicin hydrochloride","Do
xorubicin hydrochloride"}

> <pdid>
PD000383

> <targets>
{}

> <classes>
{"Topoisomerase II Inhibitors"}

> <pubchem_cids>
{32874,5458238,68441416}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  1  0            999 V2000
    7.8083   -0.6274    0.0000 Cl  0  0
    5.3077   -0.6882    0.0000 N   0  0
    4.0197   -1.4569    0.0000 C   0  0  2  0  0  0
    3.2676   -2.7548    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  3  1  0
  5  6  1  1
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11447

> <plate>
PLATE 007

> <well>
B7

> <supplier_cmpd_name>
Tranylcypromine (2-PCPA) hydrochloride

> <ctcr_id>
10998

> <supplier_cmpd_id>
T1025

> <smiles>
Cl.N[C@@H]1C[C@H]1c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{KDM1A,MAOA,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{98647,1986-47-6,1986476,"trans-2-Phenylcyclopropanamine hydrochloride","trans2Phenylcyclopropanamine hydrochloride","Tranylcypromine hydrochloride","trans-2-Phenylcyclopropylamine hydrochloride","tra
ns2Phenylcyclopropylamine hydrochloride","(1R,2S)-2-phenyl-cyclopropylamine hydrochloride","(1R,2S)2phenylcyclopropylamine hydrochloride",37388-05-9,37388059,"2-PCPA Hydrochloride","2PCPA Hydrochlorid
e",(1R,2S)-2-Phenylcyclopro,2S)2Phenylcyclopro,T1025,"Tranylcypromine (2-PCPA) hydrochloride"}

> <pdid>
PD013254

> <targets>
{MAO}

> <classes>
{Metabolism}

> <pubchem_cids>
{2723716}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 29  0  0  1  0            999 V2000
    6.2131   -0.5115    0.0000 C   0  0
    6.3863   -2.0014    0.0000 C   0  0  1  0  0  0
    5.4921   -3.1605    0.0000 C   0  0  2  0  0  0
    3.9989   -3.3121    0.0000 N   0  0
    3.1203   -2.0953    0.0000 C   0  0
    3.7348   -0.7270    0.0000 O   0  0
    1.6271   -2.2470    0.0000 C   0  0
    1.0150   -3.6174    0.0000 N   0  0
    1.8950   -4.8332    0.0000 O   0  0
    1.2829   -6.2035    0.0000 C   0  0
   -0.2091   -6.3581    0.0000 C   0  0
    0.4029   -4.9888    0.0000 C   0  0
    2.1629   -7.4193    0.0000 C   0  0
    3.6549   -7.2647    0.0000 O   0  0
    1.5511   -8.7889    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 S   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -2.6401    0.8578    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 N   0  0
    6.6050   -4.1115    0.0000 C   0  0
    6.7410   -5.6053    0.0000 O   0  0
    7.5507   -2.9471    0.0000 N   0  0
    9.0375   -2.7930    0.0000 S   0  0
    9.6491   -1.4234    0.0000 O   0  0
    9.9181   -4.0073    0.0000 O   0  0
   10.5294   -2.6377    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  1
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  2  0
  7 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 16  1  0
  3 22  1  0
 22 23  2  0
 22 24  1  0
 24  2  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 25 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11448

> <plate>
PLATE 007

> <well>
B8

> <supplier_cmpd_name>
Aztreonam

> <ctcr_id>
4065

> <supplier_cmpd_id>
T1029

> <smiles>
C[C@H]1[C@H](NC(=O)C(=N\OC(C)(C)C(O)=O)/c2csc(N)n2)C(=O)N1[S](O)(=O)=O

> <pd_targets>
{IMPA1,BLAACC-4,AMPC,"BLA LAT-2",BLAPER-2,MRCA,DACA,DACB,DACC,FTSI,MRCB,MRDA,PBPC}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Hydrolase,Protease,"Serine protease","Serine protease SE clan","Serine protease unclassified","Serine protease S11 family"}

> <pathway_chembl>
{Enzymes,"Inositol phosphate turnover","Inositol monophosphatase"}

> <pathway_reactome>
{Metabolism,"Inositol phosphate metabolism","Synthesis of IP2",IP,"and Ins in the cytosol"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{RESTW18,SQ-26776,SQ26776,78110-38-0,78110380,Primbactam,aztreonam,Azactam,SQ-28429,SQ28429,Azthreonam,MFCD00072145,NSC646279,CHEMBL158,"SQ 26776",UNII-G2B4VE5GH8,UNIIG2B4VE5GH8,NSC-646279,C13H17N5O8S
2,G2B4VE5GH8,CHEBI:161680,"Squibb 26776",SR-01000841814,SR01000841814,"Aztreonam (Azactam, Cayston)",Azetre,T1029,Prestw-185,Aztreonam}

> <pdid>
PD000615

> <targets>
{Antibiotic,Bacterial}

> <classes>
{Anti-infection}

> <pubchem_cids>
{9568617,5742832}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  1  0            999 V2000
    0.2951   -8.3214    0.0000 C   0  0
    1.7951   -8.3214    0.0000 C   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5497   -4.4224    0.0000 S   0  0  1  0  0  0
    4.0497   -4.4250    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    4.0452   -7.0225    0.0000 N   0  0
    4.7951   -8.3215    0.0000 C   0  0
    4.0450   -9.6205    0.0000 C   0  0
    2.5450   -9.6205    0.0000 C   0  0
    1.7973  -10.9218    0.0000 O   0  0
    2.5495  -12.2205    0.0000 C   0  0
    1.8017  -13.5217    0.0000 C   0  0
    2.5535  -14.8197    0.0000 F   0  0
    0.3017  -13.5243    0.0000 F   0  0
    1.0537  -14.8219    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  5  4  1  6
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15  7  2  0
  3 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19  2  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11449

> <plate>
PLATE 007

> <well>
B9

> <supplier_cmpd_name>
R-(+)-Lansoprazole

> <ctcr_id>
7290

> <supplier_cmpd_id>
T1021

> <smiles>
Cc1c(C[S@@](=O)c2[nH]c3ccccc3n2)nccc1OCC(F)(F)F

> <pd_targets>
{AMPC,LMNA,GLA,ALDH1A1,FFP,CYP2D6,CYP3A4,CYP2C9,FASN,REP,RAB9A,TSHR,MAPT,CYP2C19,RORC,ALOX15,KDM4E,HIF1A,ALD,NPC1,PHOSPHO1,CYP1A2,CYP2C8,DDAH1,HSD17B10,PMP22,HPGD,GAA,ATP4A,ATP4B,ATP1A1,ATP1A2,ATP1A3,
ATP1A4,ATP1B1,ATP1B2,ATP1B3,FXYD2,CHRM1,IDO2,IDO1,ENGASE,ABCB1,SARM1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor","Other cytosolic protein","Transcription factor","Epigenetic regulator",Transporter,"Unclassified protein",Hydrolase,Oxidoreductase,Transferase,"Cyt
ochrome P450","Family A G protein-coupled receptor","Nuclear receptor",Eraser,Phosphatase,"Primary active transporter","Cytochrome P450 family 2","Cytochrome P450 family 3","Peptide receptor (family A
 GPCR)","Nuclear hormone receptor subfamily 1","Lysine demethylase","Cytochrome P450 family 1","P-type ATPase","Small molecule receptor (family A GPCR)","ATP-binding cassette","Cytochrome P450 family 
2D","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group F","Jumonji domain-containing","Cytochrome P450 family 1A","Hydrogen pot
assium ATPase","Sodium potassium ATPase","Monoamine receptor","ABCB subfamily","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 2C19","Nuclear hormone receptor subfam
ily 1 group F member 3","Cytochrome P450 1A1","Cytochrome P450 2C8","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,Transporters,"Cytochrome P450","2.3.1.-  Acyltransferases","Anti-infective targets","G protein-coupled receptors","Nuclear hormone receptors","Eicosanoid tur
nover","Chromatin modifying enzymes","SLC superfamily of solute carriers","L-Arginine turnover","3.2.1.- Glycosidases","1.13.11.- Dioxygenases","ATP-binding cassette transporter family","P-type ATPase
s","CYP2 family: drug metabolising subset","CYP3 family","Viral protein targets","Glycoprotein hormone receptors","1F. Retinoic acid-related orphans",Lipoxygenases,"1.14.11.- Histone demethylases","SL
C65 NPC-type cholesterol transporters","CYP1 family","Dimethylarginine dimethylaminohydrolases","Prostaglandin synthases","Acetylcholine receptors (muscarinic)","ABCB subfamily","P2C P-type ATPases","
Coronavirus (CoV) proteins",H<sup>+</sup>/K<sup>+</sup>-ATPases}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,"Signal Transduction","Neuronal System","Gene expression (Transcription)","Cellular responses to external stimuli","Transport of small molecules","Developmental Biolog
y","Metabolism of proteins",Mitotic,"Metabolism of lipids","Biological oxidations","Infectious disease","Signaling by Rho GTPases","Transmission across Chemical Synapses","RNA Polymerase II Transcript
ion","Cellular responses to stress","Plasma lipoprotein assembly",remodeling,"and clearance","Metabolism of nitric oxide: NOS3 activation and regulation","Metabolism of amino acids and derivatives","N
ervous system development","Diseases of metabolism","Signaling by GPCR","Post-translational protein modification","Abacavir transport and metabolism","Ion channel transport","M Phase","Sphingolipid me
tabolism","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","SARS-CoV Infections","Rho GTPase cycle","Leishmania infection
","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Cellular response to hypoxia","Plasma lipoprotein clearance","Phospholipid metabolism","eNOS activa
tion","Branched-chain amino acid catabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Diseases of carbohydrate metabolism","GPCR ligand binding","Tryptophan catabolism","Aspar
agine N-linked glycosylation","Abacavir transmembrane transport","Ion transport by P-type ATPases","Mitotic Metaphase and Anaphase","Glycosphingolipid metabolism","Ethanol oxidation","Cytochrome P450 
- arranged by substrate type","Biosynthesis of DHA-derived SPMs","Regulation of cholesterol biosynthesis by SREBP (SREBF)","SARS-CoV-2 Infection","RHOBTB GTPase Cycle","Leishmania parasite growth and 
survival","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible F
actor Alpha","LDL clearance","Glycerophospholipid biosynthesis","Glycogen storage diseases","Class A/1 (Rhodopsin-like receptors)","N-glycan trimming in the ER and Calnexin/Calreticulin cycle","Mitoti
c Anaphase",Xenobiotics,"Biosynthesis of maresins","Activation of gene expression by SREBF (SREBP)","SARS-CoV-2 Genome Replication and Transcription","RHOBTB3 ATPase cycle","Anti-inflammatory response
 favouring Leishmania parasite infection","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Synthesis of PC","Biosynthesis of D
-series resolvins","Glycogen storage disease type II (GAA)","Amine ligand-binding receptors","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Replication of t
he SARS-CoV-2 genome","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can
 be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation","Immune System","Innate Immune System","Toll-like Receptor Cascade
s","Toll Like Receptor 4 (TLR4) Cascade","MyD88-independent TLR4 cascade","TRIF(TICAM1)-mediated TLR4 signaling","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{ATP4A,ATP4B}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{dexlansoprazole,(R)-Lansoprazole,(R)Lansoprazole,138530-94-6,138530946,dexilant,Kapidex,R-(+)-LANSOPRAZOLE,R(+)LANSOPRAZOLE,"Dexilant Solutab","TAK 390",TAK-390,TAK390,UNII-UYE4T5I70X,UNIIUYE4T5I70X,
"T 168390",UYE4T5I70X,T-168390,T168390,TAK-390MR,TAK390MR,C16H14F3N3O2S,(r)-(+)-lansoprazole,(r)(+)lansoprazole,"Dexlansoprazole (INN/USAN)",Dexlansop,T0674,T1021,S4099,Lansoprazole,R-(+)-Lansoprazole
,Dexlansoprazole}

> <pdid>
PD000804

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{9578005}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 51 53  0  0  0  0            999 V2000
   -2.5993   -0.0041    0.0000 C   0  0
   -1.3013    0.7478    0.0000 C   0  0
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
    1.3000   -2.2500    0.0000 C   0  0
    1.3000   -3.7500    0.0000 O   0  0
    2.6000   -1.5000    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000   -2.2500    0.0000 C   0  0
    4.4162   -3.6593    0.0000 O   0  0
    3.4546   -4.8116    0.0000 C   0  0
    3.9685   -6.2208    0.0000 C   0  0
    3.0050   -7.3705    0.0000 C   0  0
    2.0137   -8.4963    0.0000 C   0  0
    4.4690   -7.5907    0.0000 O   0  0
    5.4329   -6.4414    0.0000 C   0  0
    1.5277   -7.1110    0.0000 C   0  0
    0.5642   -8.2607    0.0000 O   0  0
    1.0137   -5.7018    0.0000 C   0  0
   -0.4637   -5.4423    0.0000 C   0  0
    1.9771   -4.5521    0.0000 O   0  0
    5.2000   -1.5000    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000   -2.2500    0.0000 C   0  0
    6.4969   -3.7508    0.0000 O   0  0
    7.7946   -4.5047    0.0000 C   0  0
    9.0943   -3.7556    0.0000 O   0  0
   10.3928   -4.5065    0.0000 C   0  0
   11.6923   -3.7573    0.0000 C   0  0
   10.3918   -6.0065    0.0000 C   0  0
    9.0923   -6.7556    0.0000 C   0  0
    7.7937   -6.0048    0.0000 C   0  0
    6.4942   -6.7539    0.0000 O   0  0
    9.0944   -8.2565    0.0000 N   0  0
   10.3940   -9.0055    0.0000 C   0  0
    7.7962   -9.0079    0.0000 C   0  0
    7.8000   -1.5000    0.0000 C   0  0
    7.7644   -2.9996    0.0000 C   0  0
    9.0812   -0.7199    0.0000 O   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6164    1.4691    0.0000 C   0  0
   -0.0163    1.4692    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 11  1  0
  9 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 26  1  0
 32 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
 24 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  0
 45 47  1  0
 47 48  1  0
 47 49  1  0
 49  3  1  0
 49 50  1  0
 49 51  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11450

> <plate>
PLATE 007

> <well>
B10

> <supplier_cmpd_name>
Erythromycin

> <ctcr_id>
3384

> <supplier_cmpd_id>
T1032

> <smiles>
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O

> <pd_targets>
{MLNR,CYP3A4,ALB,KCNH2,AMPC,AOX1,ABCB1,CYP1B1,ABCB1A}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Secreted protein","Ion channel",Transporter,"Family A G protein-coupled receptor","Cytochrome P450","Voltage-gated ion channel",Hydrolase,Oxidoreductase,"Primary active tr
ansporter","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Potassium channels","ATP-binding cassette","Cytochrome P450 family 1","Short peptide receptor (family A GPCR)","Cytochrome P45
0 family 3A","Voltage-gated potassium channel","ABCB subfamily","Cytochrome P450 family 1B","Motilin receptor","Cytochrome P450 3A4","Cytochrome P450 1B1"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Cytochrome P450","Voltage-gated ion channels","ATP-binding cassette transporter family","Motilin receptor","CYP3 family","
Potassium channels","ABCB subfamily","CYP1 family","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Muscle contraction","Signaling by GPCR","Metabolism of lipids","Cardiac conduction","Metabolism of vitamins and cofactors","Abacavir transport and metabolism","Biolo
gical oxidations","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Phase 3 - rapid repolarisation","Metabolism of water-soluble vitamins and 
cofactors","Abacavir transmembrane transport","Phase I - Functionalization of compounds","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism",
"Vitamins B6 activation to pyridoxal phosphate","Cytochrome P450 - arranged by substrate type","Peptide ligand-binding receptors","Biosynthesis of maresins","Recycling of bile acids and salts","Endoge
nous sterols","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{MLNR}

> <broad_moa>
{"NFkB pathway inhibitor"}

> <synonyms>
{Erythromid,Pantomicina,Propiocine,Abboticin,Dotycin,Erycinum,Eryderm,Ilocaps,Erycin,Kesso-Mycin,KessoMycin,Taimoxin-F,TaimoxinF,Erythrogran,Ilotycin,ERYC,erythro,Eritrocina,Erythroguent,Torlamicina,E
rmycin,Erycette,Robimycin,Stiemycin,Erycen,Erygel,Erytab,Inderm,T1032,S1635,Erythromycin}

> <pdid>
PD002345

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3255}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 48 51  0  0  1  0            999 V2000
    4.0029   -0.2165    0.0000 Na  0  3
  -10.6943    0.2001    0.0000 C   0  0
   -9.9301    1.4909    0.0000 C   0  0
   -8.4426    1.4991    0.0000 C   0  0  1  0  0  0
   -9.0671    0.1352    0.0000 C   0  0
   -7.9630   -0.8801    0.0000 C   0  0
   -6.6761   -0.1347    0.0000 C   0  0  1  0  0  0
   -6.9526    1.3266    0.0000 O   0  0
   -5.3236   -0.7540    0.0000 C   0  0  2  0  0  0
   -5.1390   -2.2426    0.0000 C   0  0
   -5.3236    0.7390    0.0000 C   0  0
   -3.8909    1.2065    0.0000 C   0  0
   -3.0162    0.0000    0.0000 C   0  0  1  0  0  0
   -2.2621    1.2970    0.0000 C   0  0
   -0.7540    1.2970    0.0000 C   0  0  2  0  0  0
   -0.0060    2.5971    0.0000 O   0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0
    1.5000    0.0000    0.0000 C   0  0
   -0.7540   -1.2970    0.0000 C   0  0  2  0  0  0
   -2.2621   -1.2970    0.0000 O   0  0
   -0.0020   -2.5958    0.0000 C   0  0  1  0  0  0
    1.4980   -2.5934    0.0000 C   0  0
   -0.7499   -3.8970    0.0000 C   0  0  1  0  0  0
   -2.2508   -3.8963    0.0000 O   0  0
   -3.0010   -2.5974    0.0000 C   0  0
    0.0022   -5.1958    0.0000 C   0  0  2  0  0  0
    1.5022   -5.1934    0.0000 C   0  0
   -0.7458   -6.4969    0.0000 C   0  0
   -2.2458   -6.4994    0.0000 O   0  5
    0.0059   -7.7950    0.0000 O   0  0
   -3.8909   -1.2065    0.0000 O   0  0
   -7.6650    2.7675    0.0000 C   0  0  2  0  0  0
   -6.1811    2.8662    0.0000 O   0  0
   -5.8306    4.3247    0.0000 C   0  0  2  0  0  0
   -7.1094    5.1087    0.0000 C   0  0
   -8.2502    4.1347    0.0000 C   0  0  2  0  0  0
   -9.7108    4.4765    0.0000 C   0  0
   -4.4440    4.8987    0.0000 C   0  0  1  0  0  0
   -3.3281    3.8937    0.0000 O   0  0
   -1.9029    4.3616    0.0000 C   0  0  1  0  0  0
   -0.4897    4.8642    0.0000 O   0  0
   -2.2419    2.9205    0.0000 C   0  0
   -3.6669    2.4520    0.0000 O   0  0
   -1.5955    5.8297    0.0000 C   0  0  2  0  0  0
   -0.1703    6.2976    0.0000 C   0  0
   -2.7133    6.8300    0.0000 C   0  0
   -4.1384    6.3622    0.0000 C   0  0  2  0  0  0
   -5.2565    7.3622    0.0000 C   0  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  7  6  1  1
  7  8  1  0
  8  4  1  0
  7  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  1  0
 13 12  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  1
 20 13  1  0
 19 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  6
 24 25  1  0
 23 26  1  0
 26 27  1  6
 26 28  1  0
 28 29  1  0
 28 30  2  0
 13 31  1  0
 31  9  1  0
  4 32  1  0
 32 33  1  1
 34 33  1  6
 34 35  1  0
 35 36  1  0
 36 32  1  0
 36 37  1  1
 34 38  1  0
 38 39  1  6
 39 40  1  0
 40 41  1  1
 40 42  1  0
 42 43  1  0
 40 44  1  0
 44 45  1  1
 44 46  1  0
 46 47  1  0
 47 38  1  0
 47 48  1  1
M  CHG  2   1   1  29  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11451

> <plate>
PLATE 007

> <well>
B11

> <supplier_cmpd_name>
Monensin sodium salt

> <ctcr_id>
2748

> <supplier_cmpd_id>
T1033

> <smiles>
[Na+].CC[C@]1(CC[C@@H](O1)[C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@H](O3)[C@@H](C)[C@@H](OC)[C@H](C)C([O-])=O)O2)[C@@H]4O[C@H](C[C@@H]4C)[C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW74,"Monensin sodium salt","Monensin sodium",22373-78-0,22373780,"Sodium monensin",DSSTox_CID_25573,DSSToxCID25573,DSSTox-CID-25573,"DSSTox CID 25573",DSSTox_RID_80970,DSSToxRID80970,DSSTox-RID-8
0970,"DSSTox RID 80970",DSSTox_GSID_45573,DSSToxGSID45573,DSSTox-GSID-45573,"DSSTox GSID 45573","Monensin A sodium salt",NSC343257,dioxaspiro(4.5)decan-9-yl)-3-methoxy-2-methylpentanoate,dioxaspiro(4.
5)decan9yl)3methoxy2methylpentanoate,C36H61NaO11,NCGC00017089-01,NCGC0001708901,CAS,T1033,Prestw-748}

> <pdid>

> <targets>
{Antibiotic,Bacterial,Sodium Channel}

> <classes>
{Anti-infection,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{23667299}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 58 63  0  0  1  0            999 V2000
    2.2495    2.6548    0.0000 C   0  0
    3.6576    2.1380    0.0000 C   0  0
    4.8089    3.0995    0.0000 O   0  0
    3.9139    0.6592    0.0000 O   0  0
    2.7600   -0.3100    0.0000 C   0  0  1  0  0  0
    3.4900    0.9500    0.0000 C   0  0
    4.7600    0.2300    0.0000 O   0  0
    4.0400   -1.0400    0.0000 C   0  0  2  0  0  0
    4.0400   -2.4900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  2  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    1.4900   -1.0400    0.0000 C   0  0  2  0  0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  1  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -6.2103   -1.0379    0.0000 C   0  0
   -6.2111   -2.0379    0.0000 O   0  0
   -7.5097   -0.2869    0.0000 C   0  0  2  0  0  0
   -7.5086    1.2131    0.0000 O   0  0
   -8.8103   -1.0359    0.0000 C   0  0  1  0  0  0
   -8.8084   -2.5367    0.0000 N   0  0
   -7.5082   -3.2863    0.0000 C   0  0
   -6.6426   -2.7855    0.0000 O   0  0
   -7.5062   -4.7871    0.0000 O   0  0
   -6.2060   -5.5367    0.0000 C   0  0
   -6.2047   -6.5367    0.0000 C   0  0
   -4.9077   -4.7855    0.0000 C   0  0
   -4.9061   -6.2852    0.0000 C   0  0
  -10.1097   -0.2849    0.0000 C   0  0
  -11.4107   -1.0316    0.0000 C   0  0
  -12.7078   -0.2783    0.0000 C   0  0
  -12.7041    1.2217    0.0000 C   0  0
  -11.4032    1.9684    0.0000 C   0  0
  -10.1060    1.2152    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
   -1.0600   -1.4900    0.0000 O   0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  5  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  6
 14 12  1  6
 14  5  1  0
 14 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 15 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  1
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 39 42  1  0
 34 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 28 49  1  0
 49 50  2  3
 50 51  1  0
 51 52  1  1
 51 53  1  0
 53 12  1  0
 53 54  2  0
 50 55  1  0
 55 25  1  0
 55 56  1  0
 55 57  1  0
 49 58  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11452

> <plate>
PLATE 007

> <well>
C2

> <supplier_cmpd_name>
Docetaxel

> <ctcr_id>
4639

> <supplier_cmpd_id>
T1034

> <smiles>
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

> <pd_targets>
{MAPK1,FFP,FTL,KMT2A,MEN1,RORC,KIF11,EGFR,GHRHR,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,NOD2,ABCB11,CYP3A4,TACR2,TUBB5,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Epigenetic regulator","Transcription factor","Other cytosolic protein","Membrane receptor","Structural protein",Transporter,Kinase,Transferase,Reader,"Nuclear receptor"
,"Family B G protein-coupled receptor","Primary active transporter","Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Peptide
 receptor (family B GPCR)","ATP-binding cassette","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","TK protein k
inase group","Glucagon-like receptor","ABCB subfamily","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase MAPK fam
ily","Nuclear hormone receptor subfamily 1 group F member 3","Tyrosine protein kinase EGFR family","Growth hormone-releasing hormone receptor","Cytochrome P450 3A4","Neurokinin receptor","Nuclear horm
one receptor subfamily 1 group I member 2","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors",Kinesins,"Catalytic receptors","G protein-coupled receptors","ATP-binding cassette transporte
r family","Cytochrome P450",Tubulins,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","Receptor kinases","Glucagon receptor family","Pattern recognition receptors","
ABCB subfamily","CYP3 family","Tachykinin receptors","1I. Vitamin D receptor-like receptors","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","NOD-like receptor family","ERK sub
family","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Vesicle-mediated transport","Gene expression (Transcription)","Signal Transduction",Disease,Metabolism,"Cell Cycle","Metabolism of proteins","Innate Immune System","Membrane Traffick
ing","RNA Polymerase II Transcription","Signaling by GPCR","Infectious disease","Metabolism of lipids",Mitotic,"Post-translational protein modification","Toll-like Receptor Cascades","trans-Golgi Netw
ork Vesicle Budding","Generic Transcription Pathway","Intra-Golgi and retrograde Golgi-to-ER traffic","GPCR downstream signalling","Leishmania infection","Metabolism of steroids","Biosynthesis of spec
ialized proresolving mediators (SPMs)","GPCR ligand binding","Mitotic G2-G2/M phases",SUMOylation,"Toll Like Receptor 5 (TLR5) Cascade","Golgi Associated Vesicle Biogenesis","Transcriptional regulatio
n by RUNX3","Golgi-to-ER retrograde transport","G alpha (q) signalling events","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Biosynthesis of DHA-derived SPMs","Class 
A/1 (Rhodopsin-like receptors)","G2/M Transition","SUMO E3 ligases SUMOylate target proteins","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","COPI-de
pendent Golgi-to-ER retrograde traffic","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts"
,"Biosynthesis of maresins","Peptide ligand-binding receptors","Centrosome maturation","SUMOylation of intracellular receptors","MAP kinase activation","EGFR Transactivation by Gastrin","ADORA2B media
ted anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of maresin-like SPMs","Tachykinin receptors bind tachykinins","Loss of 
proteins required for interphase microtubule organization from the centrosome","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Loss of Nlp from mi
totic centrosomes","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{BCL2,MAP2,MAP4,MAPT,NR1I2,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3D,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{RESTW118,"Docetaxel (Taxotere)",SMR000059010,Docetaxel/,MLS000069455,MLS000759480,MLS001423968,SCHEMBL5553029,CHEMBL1510899,MolPort-006-823-826,MolPort006823826,HMS2051A12,HMS3715N15,"Docetaxel(Taxot
ere)/UK 427857",ABP000473,ABP000761,BBL102375,STL556176,ZINC95546207,A,T0186,T1034,SAM001246689,Prestw-1180,"Docetaxel trihydrate",Docetaxel,CPD000059010}

> <pdid>
PD003020

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11970251}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 43 47  0  0  1  0            999 V2000
    6.4990   -5.2473    0.0000 C   0  0
    6.4987   -3.7473    0.0000 O   0  0
    5.1993   -2.9963    0.0000 C   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    6.4947   -0.7442    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1953   -1.5031    0.0000 O   0  0
   -5.1932   -3.0039    0.0000 C   0  0  2  0  0  0
   -3.8915   -3.7495    0.0000 O   0  0
   -3.8863   -5.2495    0.0000 C   0  0  2  0  0  0
   -2.5825   -5.9928    0.0000 C   0  0
   -1.2864   -5.2360    0.0000 O   0  0
    0.0175   -5.9792    0.0000 C   0  0  2  0  0  0
    0.0228   -7.4793    0.0000 O   0  0
    1.3244   -8.2248    0.0000 C   0  0  1  0  0  0
    1.3297   -9.7248    0.0000 C   0  0
    2.6209   -7.4702    0.0000 C   0  0  2  0  0  0
    3.9225   -8.2157    0.0000 O   0  0
    2.6156   -5.9703    0.0000 C   0  0  1  0  0  0
    3.9120   -5.2157    0.0000 O   0  0
    1.3140   -5.2248    0.0000 C   0  0  1  0  0  0
    1.3088   -3.7248    0.0000 O   0  0
   -5.1828   -6.0040    0.0000 C   0  0  1  0  0  0
   -5.1776   -7.5040    0.0000 O   0  0
   -6.4844   -5.2585    0.0000 C   0  0  2  0  0  0
   -7.7808   -6.0130    0.0000 O   0  0
   -6.4896   -3.7585    0.0000 C   0  0  1  0  0  0
   -7.7912   -3.0131    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
 10  6  1  1
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  6
 23 24  1  0
 25 24  1  1
 25 26  1  0
 26 27  1  0
 27 28  1  6
 27 29  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  6
 31 33  1  0
 33 25  1  0
 33 34  1  6
 22 35  1  0
 35 36  1  1
 35 37  1  0
 37 38  1  6
 37 39  1  0
 39 20  1  0
 39 40  1  1
 18 41  1  0
 41 42  2  0
 42 14  1  0
 42 43  1  0
 43 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11453

> <plate>
PLATE 007

> <well>
C3

> <supplier_cmpd_name>
Hesperidin

> <ctcr_id>
1646

> <supplier_cmpd_id>
T1035

> <smiles>
COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2

> <pd_targets>
{APBA1,CACNA1B,CTDSP1,CALM1,GSK3B,POLB,KDM1A,TDP1}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Unclassified protein","Epigenetic regulator","Voltage-gated ion channel",Phosphatase,Kinase,Eraser,Hydrolase,"Voltage-gated calcium channel","Protein Phosphatase","Protein Kinas
e","Lysine demethylase","Serine/threonine protein phosphatase","CMGC protein kinase group","Lysine-specific demethylase","CMGC protein kinase GSK family"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Voltage-gated ion channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases","Voltage-gate
d calcium channels","Glycogen synthase kinase (GSK) family","GSK subfamily"}

> <pathway_reactome>
{"Neuronal System",Disease,"DNA Repair","Signal Transduction","Transmission across Chemical Synapses","Infectious disease","Base Excision Repair","Intracellular signaling by second messengers","DNA Do
uble-Strand Break Repair","Neurotransmitter receptors and postsynaptic signal transmission","SARS-CoV Infections","Resolution of Abasic Sites (AP sites)","PIP3 activates AKT signaling","Presynaptic de
polarization and calcium channel opening","Nonhomologous End-Joining (NHEJ)","Activation of NMDA receptors and postsynaptic events","SARS-CoV-1 Infection","Resolution of AP sites via the multiple-nucl
eotide patch replacement pathway","PTEN Regulation","Post NMDA receptor activation events","SARS-CoV-1 Genome Replication and Transcription","PCNA-Dependent Long Patch Base Excision Repair","Regulatio
n of PTEN gene transcription","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Replication of the SARS-CoV-1 genome","Ras activation upon Ca2+ influx through NMDA re
ceptor"}

> <broad_targets>
{AURKB,CACNA1B}

> <broad_moa>
{"flavanone glycoside"}

> <synonyms>
{RESTW40,"RESTW 40",hesperidin,520-26-3,520263,"520 26 3",Cirantin,Hesperidoside,"Hesper bitabs",Hesperetin-rutinosid,Hesperetinrutinosid,"Hesperetin rutinosid",Hesperidine,Ciratin,(S)-(-)-Hesperidin,
(S)()Hesperidin,"(S) ( ) Hesperidin","NSC 441",T1035,Prestw-400,Hesperidin}

> <pdid>
PD001967

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{10621}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  6  0  0  0  0            999 V2000
    7.7000    1.1254    0.0000 Cl  0  5
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    1.3000    2.2500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.1992    0.0004    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11454

> <plate>
PLATE 007

> <well>
C4

> <supplier_cmpd_name>
Choline chloride

> <ctcr_id>
3425

> <supplier_cmpd_id>
T1039

> <smiles>
[Cl-].C[N+](C)(C)CCO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"CHOLINE CHLORIDE",67-48-1,67481,Hepacholine,Biocolina,Biocoline,Lipotril,"2-Hydroxy-N,N,N-trimethylethanaminium chloride","2HydroxyN,N,Ntrimethylethanaminium chloride",Paresan,"(2-Hydroxyethyl)trime
thylammonium chloride","(2Hydroxyethyl)trimethylammonium chloride","Luridin chloride","Choline hydrochloride","Bilineurin chloride",H,T1039,1503428,"Choline chloride"}

> <pdid>

> <targets>
{}

> <classes>
{hepatoprotectant,choleretic,lipotropic}

> <pubchem_cids>
{522265,6209}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  0  0            999 V2000
    9.6216   -4.0985    0.0000 O   0  0
    7.1216   -4.0985    0.0000 Na  0  3
    4.6130   -4.5087    0.0000 C   0  0
    3.9403   -5.8494    0.0000 C   0  0
    4.6216   -7.1858    0.0000 O   0  0
    3.5612   -8.2467    0.0000 N   0  0
    2.2245   -7.5661    0.0000 C   0  0
    0.8835   -8.2398    0.0000 C   0  0
    0.9207   -9.7411    0.0000 C   0  0
   -0.3620  -10.5188    0.0000 C   0  0
   -1.6768   -9.7968    0.0000 C   0  0
   -1.7090   -8.2972    0.0000 C   0  0
   -0.4263   -7.5195    0.0000 C   0  0
   -0.4580   -6.0198    0.0000 Cl  0  0
    2.4742   -6.0999    0.0000 C   0  0
    1.4149   -5.0368    0.0000 C   0  0
   -0.0346   -5.4229    0.0000 O   0  0
    1.8050   -3.5876    0.0000 N   0  0
    0.7500   -2.5287    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.3101    2.0064    0.0000 C   0  0
    1.3100    2.0066    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -0.7500   -2.5287    0.0000 C   0  0
   -1.8107   -3.5893    0.0000 O   0  0
   -2.6394    0.8543    0.0000 C   0  0
   -3.7527   -0.1510    0.0000 O   0  0
   -2.9539    2.3210    0.0000 O   0  5
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
  7 15  1  0
 15  4  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 20  1  0
 26 27  1  0
 27 19  1  0
 27 28  2  0
 25 29  1  0
 29 30  2  0
 29 31  1  0
M  CHG  2   2   1  31  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11455

> <plate>
PLATE 007

> <well>
C5

> <supplier_cmpd_name>
Cloxacillin sodium monohydrate

> <ctcr_id>
3077

> <supplier_cmpd_id>
T1031

> <smiles>
O.[Na+].Cc1onc(c2ccccc2Cl)c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Cloxacillin (sodium)",AKOS026750008,DB-055454,DB055454,FT-0603190,FT0603190,A837001,T1031,S2564,"Cloxacillin sodium monohydrate","Cloxacillin Sodium"}

> <pdid>
PD002410

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{23702393}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 93 99  0  0  0  0            999 V2000
   -7.3203   -8.8397    0.0000 C   0  0
   -8.2383   -7.6535    0.0000 C   0  0
   -7.6693   -6.2647    0.0000 C   0  0
   -6.1822   -6.0622    0.0000 N   0  0
   -5.6132   -4.6734    0.0000 C   0  0
   -6.5313   -3.4872    0.0000 O   0  0
   -4.1262   -4.4708    0.0000 C   0  0
   -3.5571   -3.0820    0.0000 C   0  0
   -2.0908   -2.8527    0.0000 C   0  0
   -1.1033   -3.9818    0.0000 C   0  0
   -2.9413   -1.7187    0.0000 C   0  0
   -4.4387   -1.7161    0.0000 C   0  0
   -5.1885   -0.4160    0.0000 C   0  0
   -4.4375    0.8824    0.0000 N   0  0
   -6.6885   -0.4143    0.0000 O   0  0
   -1.9490   -0.4961    0.0000 C   0  0
   -0.6201   -0.9922    0.0000 N   0  0
   -0.6556   -2.5160    0.0000 C   0  0
    0.6024   -3.3133    0.0000 C   0  0
    1.8782   -2.5160    0.0000 C   0  0
    1.8782   -0.9922    0.0000 N   0  0
    3.4374   -0.6379    0.0000 C   0  0
    4.1993    0.3367    0.0000 C   0  0
    3.5082    1.4529    0.0000 C   0  0
    3.8705    2.9748    0.0000 N   0  0
    1.9313    3.3133    0.0000 C   0  0
    0.6556    4.0930    0.0000 C   0  0
   -0.5847    3.2956    0.0000 C   0  0
   -1.9475    3.9370    0.0000 N   0  5
   -1.9313    1.3112    0.0000 C   0  0
   -3.3639    0.8666    0.0000 C   0  0
   -2.8881    2.6755    0.0000 C   0  0
   -3.6749    1.3984    0.0000 C   0  0
   -3.9731    3.6955    0.0000 C   0  0
   -5.4162    3.2832    0.0000 C   0  0
   -5.7800    1.8280    0.0000 N   0  0
   -6.4949    4.3255    0.0000 O   0  0
   -0.7467    1.8309    0.0000 C   0  0
   -3.4583    4.4239    0.0000 C   0  0
   -2.8588    5.7997    0.0000 C   0  0
   -3.7498    7.0075    0.0000 C   0  0
   -5.2403    6.8393    0.0000 N   0  0
   -3.1506    8.3826    0.0000 O   0  0
    0.6385    5.5929    0.0000 C   0  0
    3.3488    3.8981    0.0000 C   0  0
    2.2527    4.9220    0.0000 C   0  0
    4.7848    4.2876    0.0000 C   0  0
    5.1918    5.7322    0.0000 C   0  0
    4.1445    6.8060    0.0000 N   0  0
    6.6453    6.1027    0.0000 O   0  0
    1.9950    1.3160    0.0000 C   0  0
    6.0963    1.4591    0.0000 C   0  0
    6.4628    0.0037    0.0000 C   0  0
    7.9062   -0.4076    0.0000 C   0  0
    8.9831    0.6366    0.0000 N   0  0
    8.2724   -1.8622    0.0000 O   0  0
    4.2347   -1.9136    0.0000 C   0  0
    5.0463   -0.6521    0.0000 C   0  0
    4.8800   -3.2677    0.0000 C   0  0
    3.2779   -3.0830    0.0000 C   0  0
    3.6455   -4.5352    0.0000 C   0  0
    2.5703   -5.5823    0.0000 C   0  0
    2.9386   -7.0372    0.0000 C   0  0
    4.3821   -7.4450    0.0000 N   0  0
    1.8640   -8.0837    0.0000 O   0  0
    0.5977   -4.8133    0.0000 C   0  0
   -9.7254   -7.8561    0.0000 O   0  0
  -10.2944   -9.2448    0.0000 P   0  0
   -8.8081   -9.0431    0.0000 O   0  5
   -9.3763  -10.4311    0.0000 O   0  0
  -11.7815   -9.4474    0.0000 O   0  0
  -12.3505  -10.8362    0.0000 C   0  0
  -13.7987  -11.1747    0.0000 C   0  0
  -14.9393  -10.2005    0.0000 O   0  0
  -13.9076  -12.6708    0.0000 C   0  0
  -12.5184  -13.2366    0.0000 O   0  0
  -11.5510  -12.0903    0.0000 C   0  0
  -10.0562  -12.1906    0.0000 C   0  0
   -9.3940  -13.5366    0.0000 O   0  0
  -15.1825  -13.4624    0.0000 N   0  0
  -15.1520  -14.9503    0.0000 C   0  0
  -16.5760  -15.4217    0.0000 N   0  0
  -17.4636  -14.2135    0.0000 C   0  0
  -18.9563  -14.0649    0.0000 C   0  0
  -19.5739  -12.6980    0.0000 C   0  0
  -21.0665  -12.5494    0.0000 C   0  0
  -18.6989  -11.4796    0.0000 C   0  0
  -19.3166  -10.1127    0.0000 C   0  0
  -17.2063  -11.6282    0.0000 C   0  0
  -16.5887  -12.9951    0.0000 C   0  0
   11.4820   -0.3866    0.0000 Co  0  2
   12.7813    0.3630    0.0000 C   0  0
   14.0805    1.1125    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 11 16  1  0
 16 17  1  0
 17 18  2  3
 18  9  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 16  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 32 38  1  0
 38 28  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  2  0
 27 44  1  0
 26 45  1  0
 45 46  1  0
 45 47  1  0
 47 48  1  0
 48 49  1  0
 48 50  2  0
 45 51  1  0
 51 24  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 54 56  2  0
 22 57  1  0
 57 58  1  0
 57 59  1  0
 57 60  1  0
 60 20  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 64  1  0
 63 65  2  0
 19 66  1  0
  2 67  1  0
 67 68  1  0
 68 69  1  0
 68 70  2  0
 68 71  1  0
 71 72  1  0
 72 73  1  0
 73 74  1  0
 73 75  1  0
 75 76  1  0
 76 77  1  0
 77 72  1  0
 77 78  1  0
 78 79  1  0
 75 80  1  0
 80 81  1  0
 81 82  2  0
 82 83  1  0
 83 84  2  0
 84 85  1  0
 85 86  1  0
 85 87  2  0
 87 88  1  0
 87 89  1  0
 89 90  2  0
 90 80  1  0
 90 83  1  0
 91 92  1  0
 92 93  3  0
M  CHG  3  29  -1  69  -1  91   2
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11456

> <plate>
PLATE 007

> <well>
C6

> <supplier_cmpd_name>
Cyanocobalamin

> <ctcr_id>
6430

> <supplier_cmpd_id>
T1040

> <smiles>
CC(CNC(=O)CCC1(C)C(CC(N)=O)C2N=C1\C(=C3/N=C(/C=C4/N=C(/C(=C5/[N-]C2(C)C(C)(CC(N)=O)C5CCC(N)=O)C)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(C)C3CCC(N)=O)C)O[P]([O-])(=O)OC6C(O)C(OC6CO)n7cnc8cc(C)c(C)cc78.[Co++]C#N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"vitamin B12",cyanocobalamin,68-19-9,68199,"Vitamin B12 (charged)",Cyanocob(III)alamin,"Vitamin B12 complex",Cyanocobalamine,MFCD00151092,DSSTox_CID_24346,DSSToxCID24346,DSSTox-CID-24346,"DSSTox CID 
24346",DSSTox_RID_80159,DSSToxRID80159,DSSTox-RID-80159,"DSSTox RID 80159",DSSTox_GSID_44346,DSSToxGSID44346,DSSTox-GSID-44346,"DSSTox GSID 44346",C63H88CoN14O14P,CAS-68-19-9,CAS68199,NCGC00016302-01,
NCGC0001630201,Prestwick_564,Prestwick564,Prestwick-564,"Prestwick 564",S1902,"Vitamin B12"}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5311498}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  2  0
 10  2  1  0
 10 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11457

> <plate>
PLATE 007

> <well>
C7

> <supplier_cmpd_name>
Clopidol

> <ctcr_id>
4845

> <supplier_cmpd_id>
T1044

> <smiles>
Cc1nc(C)c(Cl)c(O)c1Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NCGC00095166-02,NCGC0009516602,"NCGC00095166 02",Clopidol,2971-90-6,2971906,"2971 90 6","3,5-dichloro-2,6-dimethylpyridin-4-ol","3,5dichloro2,6dimethylpyridin4ol","3,5 dichloro 2,6 dimethylpyridin 4 
ol",Meticlorpindol,Coyden,"Coccidiostat C",Meti,1505319,CLOPIDOL}

> <pdid>
PD000943

> <targets>
{}

> <classes>
{coccidiostat,antiplatelet}

> <pubchem_cids>
{18087}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    2.5679   -3.2546    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    5.0525   -2.4938    0.0000 C   0  0
    5.4929   -3.9285    0.0000 N   0  0
    6.9546   -4.2653    0.0000 C   0  0
    4.4707   -5.0263    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
   10.7554    1.3968    0.0000 O   0  0
   10.7554   -0.1032    0.0000 C   0  0
    9.4561   -0.8528    0.0000 O   0  0
   12.0554   -0.8532    0.0000 C   0  0
   13.3554   -0.1032    0.0000 C   0  0
   13.3568    1.3976    0.0000 C   0  0
   12.0582    2.1485    0.0000 O   0  0
   14.6561    2.1472    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  2  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  8  1  0
 22 17  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11458

> <plate>
PLATE 007

> <well>
C8

> <supplier_cmpd_name>
Trimipramine maleate

> <ctcr_id>
1292

> <supplier_cmpd_id>
T1045

> <smiles>
CC(CN(C)C)CN1c2ccccc2CCc3ccccc13.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CHEBI:35030,"Trimipramine maleate",521-78-8,521788,"Trimipramine maleate salt","Trimipramine hydrogen maleate","Trimipramine (maleate)","Trimipramine Maleate, BP","Surmontil maleate",UNII-D28E1043W5,
UNIID28E1043W5,UNII-I412286V22,UNIII412286V22,D28E1043W5,Trimeprimine,T1045,1503117,Prestw-806,"TRIMIPRAMINE MALEATE"}

> <pdid>

> <targets>
{}

> <classes>
{antidepressant}

> <pubchem_cids>
{17756745,5282318}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 13  0  0  0  0            999 V2000
   10.1943   -1.8787    0.0000 H   0  3
    7.6943   -1.8787    0.0000 Cl  0  5
    5.1937   -3.0093    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11459

> <plate>
PLATE 007

> <well>
C9

> <supplier_cmpd_name>
Mexiletine hydrochloride

> <ctcr_id>
6844

> <supplier_cmpd_id>
T1046

> <smiles>
[H+].[Cl-].CC(N)COc1c(C)cccc1C

> <pd_targets>
{SCN4A,SCN5A,SCN1A,SCN9A,LMNA,SCN2A,SCN3A,SCN10A,KCNH2,CACNA1C,CACNA1D,CACNA1F,CACNA1S,SCN11A,SCN7A,SCN8A,KCNK3,HTR2B,AHR}

> <pathway_gtopdb>
{"Ion channel","Other nuclear protein","Membrane receptor","Transcription factor","Voltage-gated ion channel","Family A G protein-coupled receptor","Voltage-gated sodium channel","Potassium channels",
"Voltage-gated calcium channel","Small molecule receptor (family A GPCR)","Voltage-gated potassium channel","Two-pore domain potassium channel","Monoamine receptor","Serotonin receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,"Other protein targets","Voltage-gated ion channels","G protein-coupled receptors","Aryl hydrocarbon receptor","Voltage-gated sodium channels","Potassium channels","5-Hydroxy
tryptamine receptors","Voltage-gated potassium channels","Two P domain potassium channels"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","Muscle contraction","Neuronal System","Signal Transduction",Metabolism,"Nervous system development",Mitotic,"Cardiac conduction","Potassium Channels","Signaling 
by GPCR","Biological oxidations","Axon guidance","M Phase","Phase 3 - rapid repolarisation","Tandem pore domain potassium channels","GPCR ligand binding","Phase I - Functionalization of compounds","L1
CAM interactions","Mitotic Metaphase and Anaphase","TWIK-releated acid-sensitive K+ channel (TASK)","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Interaction b
etween L1 and Ankyrins","Mitotic Anaphase","Amine ligand-binding receptors","Endogenous sterols","Nuclear Envelope (NE) Reassembly","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformati
on"}

> <broad_targets>
{PLAU,SCN4A,SCN5A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{AKOS026750013,FT-0601136,FT0601136,Mexitil,CHEBI:6917,"1-Methyl-2-(2,6-xylyloxy)ethylamine hydrochloride","1Methyl2(2,6xylyloxy)ethylamine hydrochloride","1-(2,6-Dimethylphenoxy)-2-aminopropane hydro
chloride","1(2,6Dimethylphenoxy)2aminopropane hydrochloride","(+-)-1-Methyl-2-(2,6-xylyloxy)ethylamine hydrochloride","(+)1Methyl2(2,6xylyloxy)ethylamine hydrochloride",1-(2,1(2,6-dimethylphen,6dimeth
ylphen,SAM002264606,1503929,Prestw-241,CPD000326711,"MEXILETINE HYDROCHLORIDE","Mexiletine hydrochloride"}

> <pdid>
PD006078

> <targets>
{}

> <classes>
{antiarrhythmic}

> <pubchem_cids>
{20148681,44724350,21467}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 23  0  0  1  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    3.8900   -1.4008    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15  9  1  0
  6 16  1  0
 16  2  1  0
 16 17  1  1
 17 18  1  0
 18 19  1  0
 19  2  1  0
 19 20  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11460

> <plate>
PLATE 007

> <well>
C10

> <supplier_cmpd_name>
Estradiol

> <ctcr_id>
390

> <supplier_cmpd_id>
T1048

> <smiles>
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O

> <pd_targets>
{ESR1,ESR2,AR,AOX1,SHBG,GPER1,LMNA,MAPT,PMP22,ALOX15,SULT1A1,TSHR,ESRRA,KCNMA1,CYP3A4,BLM,PGR,SERPINA6,HSD17B10,ALDH1A1,CYP1B1,RECQL,ESRRB,SMN1,SLC22A1,SLC6A4,SLC22A3,CACNA1C,GPBAR1,NR3C1,CYP2B6,STS,S
LC6A3,SLCO1A1,SLC22A2,NR1I2,CHRNA4,MT-ATP6,BECN1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Secreted protein","Membrane receptor","Other nuclear protein","Other cytosolic protein","Unclassified protein","Ion channel","Epigenetic regulator",Transporter,"Nuclear
 receptor",Oxidoreductase,"Family A G protein-coupled receptor",Transferase,"Voltage-gated ion channel","Cytochrome P450",Reader,"Electrochemical transporter",Hydrolase,"Ligand-gated ion channel","Nuc
lear hormone receptor subfamily 3","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Potassium channels","Cytochrome P450 family 3","Cytochrome P450 family 1","Methyl-lysin
e/arginine binding protein","SLC superfamily of solute carriers","Voltage-gated calcium channel","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Nicotinic acetylcholine receptor","N
uclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subfamily 3 group C","Lipid-like ligand receptor (family A GPCR)","Glycohormone receptor","Nuclear hormone receptor subfamily 3 g
roup B","Calcium-activated potassium channel","Cytochrome P450 family 3A","Cytochrome P450 family 1B","Tudor domain","SLC22 family of organic cation and anion transporters","SLC06 neurotransmitter tra
nsporter family","Cytochrome P450 family 2B","SLC21/SLCO family of organic anion transporting polypeptides","Nuclear hormone receptor subfamily 1 group I","Nicotinic acetylcholine receptor alpha subun
it","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group A member 2","Nuclear hormone receptor subfamily 3 group C member 4","Steroid-like ligand recepto
r","Nuclear hormone receptor subfamily 3 group B member 1","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 3 group C member 3","Cytochrome P450 1B1","Nuclear hormone receptor subfamily 3 gro
up B member 2","Nuclear hormone receptor subfamily 3 group C member 1","Cytochrome P450 2B6","Nuclear hormone receptor subfamily 1 group I member 2"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"Nuclear hormone receptors","G protein-coupled receptors","Eicosanoid turnover","Voltage-gated ion channels","Cytochrome P450","SLC superfamily of solute
 carriers","Ligand-gated ion channels","F-type and V-type ATPases","Steroid hormone receptors","G protein-coupled estrogen receptor",Lipoxygenases,"Glycoprotein hormone receptors","3B. Estrogen-relate
d receptors","Potassium channels","CYP3 family","CYP1 family","SLC22 family of organic cation and anion transporters","SLC6 neurotransmitter transporter family","Voltage-gated calcium channels","Bile 
acid receptor","CYP2 family: drug metabolising subset","1I. Vitamin D receptor-like receptors","Nicotinic acetylcholine receptors","F-type ATPase","3A. Estrogen receptors","3C. 3-Ketosteroid receptors
","Calcium- and sodium-activated potassium channels","Organic cation transporters (OCT)","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction",Metabolism,"Cell Cycle","Neuronal System","Developmental Biology",Disease,Hemostasis,"DNA Repair","Metabolism of RNA","Transport of small molec
ules","Metabolism of proteins","RNA Polymerase II Transcription","Intracellular signaling by second messengers","Metabolism of vitamins and cofactors","Signaling by GPCR",Mitotic,"Transmission across 
Chemical Synapses","Nervous system development","Metabolism of lipids","Biological oxidations","Infectious disease","Platelet homeostasis","DNA Double-Strand Break Repair","Metabolism of amino acids a
nd derivatives","Metabolism of non-coding RNA","SLC-mediated transmembrane transport","Disorders of transmembrane transporters","Post-translational protein modification","The citric acid (TCA) cycle a
nd respiratory electron transport","Generic Transcription Pathway","PIP3 activates AKT signaling","Metabolism of water-soluble vitamins and cofactors","GPCR ligand binding","M Phase","Neurotransmitter
 receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of specialized proresolving mediators (SPMs)","Phase II - Conjugation of
 compounds","Leishmania infection","Nitric oxide stimulates guanylate cyclase","Homology Directed Repair","Metabolism of steroids","Branched-chain amino acid catabolism","Phase I - Functionalization o
f compounds","snRNP Assembly","Transport of bile salts and organic acids","metal ions and amine compounds","Neurotransmitter clearance","Axon guidance","Sphingolipid metabolism","SLC transporter disor
ders",SUMOylation,"Respiratory electron transport","ATP synthesis by chemiosmotic coupling","and heat production by uncoupling proteins.","SARS-CoV Infections","Transcriptional regulation by RUNX1","N
egative regulation of the PI3K/AKT network","Transcriptional regulation by RUNX2","Vitamins B6 activation to pyridoxal phosphate","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase
","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DPA-derived SPMs","Cytosolic sulfonation of small molecules","Leishmania parasite growth and survival","cGMP effects","Biosynt
hesis of DHA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Metabolism of steroid hormones","Ethanol oxidation","Cytochrome P450 - arranged by substrate t
ype","Nuclear Receptor transcription pathway","Organic cation/anion/zwitterion transport","Serotonin clearance from the synaptic cleft","NCAM signaling for neurite out-growth","FOXO-mediated transcrip
tion","Glycosphingolipid metabolism","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","SUMO E3 ligases SUMOylate target proteins","Acetylcholine binding and downstream events","Format
ion of ATP by chemiosmotic coupling","SARS-CoV-1 Infection","RUNX1 regulates estrogen receptor mediated transcription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","RUNX2 regulates bone developmen
t","Peptide ligand-binding receptors","Mitotic Anaphase","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Regu
lation of RUNX2 expression and activity","Biosynthesis of maresins","HDR through Homologous Recombination (HRR)","Glucocorticoid biosynthesis","Endogenous sterols","Organic cation transport","NCAM1 in
teractions","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes",Xenobiotics,"SUMOylation of intracellular receptors","Postsynaptic nicotinic acetylcholine receptors","Tran
slation of Replicase and Assembly of the Replication Transcription Complex","RUNX2 regulates osteoblast differentiation","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","B
iosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","CYP2
E1 reactions","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchan
ge"}

> <broad_targets>
{ESR1,ESR2,GPER1,KCNMA1,NR1I2}

> <broad_moa>
{"estrogen receptor agonist"}

> <synonyms>
{RESTW44,estradiol,beta-Estradiol,betaEstradiol,17beta-Estradiol,17betaEstradiol,50-28-2,50282,Oestradiol,Dihydrofolliculin,Estrace,Ovocyclin,Vivelle,progynon,Dihydrotheelin,Dihydroxyestrin,Aquadiol,D
iogynets,Gynergon,Gynoestryl,Diogyn,Oestroglandol,Aerodiol,Corpagen,Dimenformon,Estrovite,T3378,T1048,SAM001247032,Prestw-441,17±-Estradiol,Estradiol,CPD000059126,"Estradiol-17 beta"}

> <pdid>
PD002343

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5757}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
   14.2969   -2.2679    0.0000 C   0  0
   12.9965   -3.0156    0.0000 C   0  0
   11.6976   -2.2637    0.0000 N   0  0
   11.6967   -0.7629    0.0000 C   0  0
   10.3977   -0.0128    0.0000 C   0  0
   10.3966   -3.0118    0.0000 C   0  0
    9.0977   -2.2599    0.0000 C   0  0
    7.7988   -1.5080    0.0000 C   0  0
    6.4999   -0.7561    0.0000 C   0  0
    5.1988   -1.5042    0.0000 O   0  0
    3.8999   -0.7523    0.0000 C   0  0
    3.9021    0.7477    0.0000 O   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.6001   -0.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5996   -3.0013    0.0000 C   0  0
    1.3010   -3.7520    0.0000 C   0  0
    1.3018   -5.2520    0.0000 C   0  0
    2.6012   -6.0013    0.0000 C   0  0
    3.8998   -5.2506    0.0000 C   0  0
    3.8990   -3.7506    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  3  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 13 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11461

> <plate>
PLATE 007

> <well>
C11

> <supplier_cmpd_name>
Oxybutynin hydrochloride

> <ctcr_id>
4547

> <supplier_cmpd_id>
T1049

> <smiles>
CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2

> <pd_targets>
{KMT2A,MEN1,PMP22,NPSR1,RECQL,CHRM1,GPM3,CHRM2,CHRM5,CHRM4,ABCB11,CHRM3,DRD3,SLC6A3,SLC6A2,SIGMAR1,CYP2C19,HTR2B,CACNA1C,NFKB1,CYP3A4,CYP2C9,CYP1A2,THPO,CYP2D6,PKM,KCNH2}

> <pathway_gtopdb>
{"Epigenetic regulator","Unclassified protein","Membrane receptor",Enzyme,Transporter,"Ion channel","Other cytosolic protein",Reader,"Family A G protein-coupled receptor","Primary active transporter",
"Electrochemical transporter","Cytochrome P450","Voltage-gated ion channel",Bromodomain,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","ATP-binding cassette","SLC superfa
mily of solute carriers","Cytochrome P450 family 2","Voltage-gated calcium channel","Cytochrome P450 family 3","Cytochrome P450 family 1","Potassium channels","Short peptide receptor (family A GPCR)",
"Monoamine receptor","ABCB subfamily","SLC06 neurotransmitter transporter family","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Volta
ge-gated potassium channel","Neuropeptide receptor","Acetylcholine receptor","Dopamine receptor","Cytochrome P450 2C19","Serotonin receptor","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P45
0 1A1","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,Transporters,"Other protein targets",Enzymes,"Ion channels","G protein-coupled receptors","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Sigma receptors","C
ytochrome P450","Voltage-gated ion channels","2.7.1.40 Pyruvate kinases","Neuropeptide S receptor","Acetylcholine receptors (muscarinic)","ABCB subfamily","Dopamine receptors","SLC6 neurotransmitter t
ransporter family","CYP2 family: drug metabolising subset","5-Hydroxytryptamine receptors","Voltage-gated calcium channels","CYP3 family","CYP1 family","Potassium channels","Monoamine transporter subf
amily","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Signal Transduction",Metabolism,"Immune System",Hemostasis,"Muscle contraction","Nervous system development","Infectious disease","Signaling by GPCR","Metabolism of l
ipids","Disorders of transmembrane transporters","Biological oxidations","Cytokine Signaling in Immune system","Platelet activation","signaling and aggregation","Metabolism of carbohydrates","Cardiac 
conduction","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Leishmania infection","GPCR ligand binding","Metabolism of steroids","SLC transporter disorders","SARS-CoV Infections","Ph
ase I - Functionalization of compounds","Axon guidance","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","Platelet Aggregation (Plug Formation)","Glucose metabol
ism","Phase 3 - rapid repolarisation","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Defective SLC6A3 causes Parkinsonism-dyston
ia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)","Potential therapeutics for SARS","Cytochrome P450 - arranged by substrate type","NCAM signaling for neurite out-growth","I
nterleukin-1 family signaling","Biosynthesis of DHA-derived SPMs",Glycolysis,"Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Synthesis of bile ac
ids and bile salts",Xenobiotics,"NCAM1 interactions","Interleukin-1 signaling","Biosynthesis of maresins","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors"
,"Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Dopamine receptors","CYP2E1 reactions","Serotonin receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of mare
sin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"Oxybutynin (USAN:INN:BAN)",oxybutynin,5633-20-5,5633205,Ditropan,Oxytrol,Oxibutyninum,Oxybutyninum,Oxybutynine,Oxibutinina,"Oxybutynine (INN-French)","Oxybutynine (INNFrench)","Oxybutyninum (INN-Lat
in)","Oxybutyninum (INNLatin)",Oxybutinin,"Oxibutinina (INN-Spanish)","Oxibutinina (INNSpanish)",(RS)-oxybutynin,(RS)oxybutynin,4-Diethylamino-2-b,4Diethylamino2b,T1049L,T1049,S1754,Oxybutynin,"Oxybut
ynin hydrochloride"}

> <pdid>
PD009572

> <targets>
{Others,AChR}

> <classes>
{}

> <pubchem_cids>
{4634}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    8.8990    4.2667    0.0000 H   0  3
    6.3990    4.2667    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -1.2991    5.2507    0.0000 N   0  0
   -0.0012    6.0029    0.0000 C   0  0
   -0.0036    7.5029    0.0000 C   0  0
   -1.3039    8.2509    0.0000 N   0  0
   -2.6017    7.4988    0.0000 C   0  0
   -2.5993    5.9988    0.0000 C   0  0
   -1.3093    9.7517    0.0000 C   0  0
   -0.0128   10.5060    0.0000 O   0  0
   -2.6114   10.4982    0.0000 C   0  0
   -2.7567   11.9783    0.0000 O   0  0
   -4.2255   12.2827    0.0000 C   0  0
   -4.9689   10.9799    0.0000 C   0  0
   -3.9596    9.8703    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13  7  1  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15 16  1  0
 16 17  1  0
  9 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 21 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11462

> <plate>
PLATE 007

> <well>
D2

> <supplier_cmpd_name>
Prazosin hydrochloride

> <ctcr_id>
179

> <supplier_cmpd_id>
T1050

> <smiles>
[H+].[Cl-].COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4

> <pd_targets>
{SCN1A,SCN2A,SCN3A,GLA,ADRA2A,RORC,GAA,KDM4E,ADRA1D,ADRA1A,ADRA2B,ADRA2C,HTR7,HTR1B,HSD17B10,MAPK1,LEF,HPGD,ADRA1B,CSN2,CACNA1C,ALDH1A1,HIF1A,TP53,CYP3A4,CYP1A2,HTR1D,OPRM1,DRD2,KMT2A,MEN1,NFKB1,CHRM1
,THPO,MAPT,ADORA3,KCNH2,HTR1A,NQO2,SLC22A1,HTR2A,HTR2B,HTR2C,MMP1,LMNA,NFO,GMNN,TGR,PMP22,NS1,ALD,MTOR,SLC22A3,DRD4,MMP9,SLC47A2,SLC22A2,SLC47A1,ABCC4,LMP1}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Membrane receptor","Transcription factor","Epigenetic regulator","Secreted protein","Other cytosolic protein","Unclassified protein",Transporter,"Other nuclear protein","Voltage
-gated ion channel",Hydrolase,"Family A G protein-coupled receptor","Nuclear receptor",Eraser,Oxidoreductase,Kinase,Protease,"Cytochrome P450",Reader,"Electrochemical transporter","Primary active tran
sporter","Voltage-gated sodium channel","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Lysine demethylase","Protein Kinase","Metallo protease","Voltage-gated calcium
 channel","Cytochrome P450 family 3","Cytochrome P450 family 1","Peptide receptor (family A GPCR)",Bromodomain,"Potassium channels","SLC superfamily of solute carriers","ATP-binding cassette","Monoami
ne receptor","Nuclear hormone receptor subfamily 1 group F","Jumonji domain-containing","CMGC protein kinase group","Metallo protease MAE clan","Cytochrome P450 family 3A","Cytochrome P450 family 1A",
"Short peptide receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Voltage-gated potassium channel","SLC22 family of organic cation and anion transporters","Metallo protease MAM clan
","Atypical protein kinase group","SLC47 family of multidrug and toxin extrusion transporters","ABCC subfamily","Adrenergic receptor","Nuclear hormone receptor subfamily 1 group F member 3","Serotonin
 receptor","CMGC protein kinase MAPK family","Metallo protease M34 family","Cytochrome P450 3A4","Cytochrome P450 1A1","Opioid receptor","Dopamine receptor","Acetylcholine receptor","Adenosine recepto
r","Metallo protease M10A subfamily","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Nuclear hormone receptors","3.2.1.- Glycosidases","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Eicosanoid turnove
r","Voltage-gated ion channels","Cytochrome P450","SLC superfamily of solute carriers","Peptidases and proteinases","ATP-binding cassette transporter family",Adrenoceptors,"1F. Retinoic acid-related o
rphans","1.14.11.- Histone demethylases","5-Hydroxytryptamine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Prostaglandin synthases","Voltage-gated calcium channels","CYP3 family","CYP1 
family","Opioid receptors","Dopamine receptors","Acetylcholine receptors (muscarinic)","Adenosine receptors","Potassium channels","SLC22 family of organic cation and anion transporters","MA: Metallo (
M) Peptidases",Atypical,"SLC47 family of multidrug and toxin extrusion transporters","ABCC subfamily","Mitogen-activated protein kinases (MAP kinases)","Voltage-gated potassium channels","Organic cati
on transporters (OCT)","M10: Matrix metallopeptidase","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Gene expression (Transcription)",Disease,"Immune System","Developmental Biology","Cellular responses to external stimuli","Cell Cycle",Hemostasis,"Neuronal System","
Muscle contraction","Transport of small molecules","Metabolism of lipids","Signaling by GPCR","RNA Polymerase II Transcription","Diseases of metabolism","Infectious disease","Metabolism of amino acids
 and derivatives","Innate Immune System","Nervous system development","Biological oxidations","Cellular responses to stress","Cell Cycle Checkpoints","Cytokine Signaling in Immune system","Platelet ac
tivation","signaling and aggregation","Transmission across Chemical Synapses","Cardiac conduction","SLC-mediated transmembrane transport",Mitotic,"Sphingolipid metabolism","GPCR ligand binding","Gener
ic Transcription Pathway","Diseases of carbohydrate metabolism","Leishmania infection","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Uptake and actions of bacterial toxins","Bi
osynthesis of specialized proresolving mediators (SPMs)","Axon guidance","Phase I - Functionalization of compounds","Cellular response to hypoxia","G1/S DNA Damage Checkpoints","GPCR downstream signal
ling","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","Neurotransmitter receptors and postsynaptic signal transmission","Phase 3 - rapid repolarisation","Transport of bile salts an
d organic acids","metal ions and amine compounds","M Phase","Mitotic G1 phase and G1/S transition","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Response to elevated platelet cytos
olic Ca2+","Glycosphingolipid metabolism","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX3","Glycogen storage diseases","Leishmania parasite growth and survival","Toll Like 
Receptor 5 (TLR5) Cascade","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","NCAM signaling for neurite out-growth","Ethanol oxidation","Oxygen-dependent proline hydroxylatio
n of Hypoxia-inducible Factor Alpha","p53-Dependent G1/S DNA damage checkpoint","Cytochrome P450 - arranged by substrate type","G alpha (i) signalling events","Interleukin-1 family signaling","Activat
ion of NMDA receptors and postsynaptic events","Organic cation/anion/zwitterion transport","Interleukin-4 and Interleukin-13 signaling","Mitotic Metaphase and Anaphase","G1/S Transition","Transcriptio
nal Regulation by TP53","EPH-Ephrin signaling","Platelet degranulation","Amine ligand-binding receptors","RUNX3 Regulates Immune Response and Cell Migration","Glycogen storage disease type II (GAA)","
Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","Biosynthesis of D-series resolvins","NCAM1 interactions","p53-Dependent G1 DNA Damage 
Response","Biosynthesis of maresins",Xenobiotics,"Opioid Signalling","Interleukin-1 signaling","Post NMDA receptor activation events","Nucleotide-like (purinergic) receptors","Organic cation transport
","Mitotic Anaphase","Activation of the pre-replicative complex","Regulation of TP53 Activity","EPH-ephrin mediated repulsion of cells",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines prod
uction","Serotonin receptors","MAP kinase activation","Stabilization of p53","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","G-protein activatio
n","Dopamine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic acetylcholine receptors","Activation of AMPK downstream of NMDARs","Adenosine P1 receptors","Nuclear Envelope (NE) Reas
sembly","Regulation of TP53 Expression and Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Re
formation","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,KCNH2,KCNH6,KCNH7}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{"Prazosin clorhidrato",CHEBI:8365,"Prazosin HCI",AKOS026750015,FT-0630458,FT0630458,FT-0674002,FT0674002,"1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)piperazine HCl","1(4Amino6,7dimethoxy2qu
inazolinyl)4(2furoyl)piperazine HCl","Prazosin hydrochloride",19237-84-4,19237844,"Prazosin HCl",Minipress,Vasoflex,Fura,1500495,Prestw-947,"PRAZOSIN HYDROCHLORIDE"}

> <pdid>
PD010017

> <targets>
{}

> <classes>
{antihypertensive}

> <pubchem_cids>
{657274,68546}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 17  0  0  0  0            999 V2000
   15.1943   -1.8789    0.0000 O   0  0
   12.6943   -1.8789    0.0000 O   0  0
   10.1943   -1.8789    0.0000 O   0  0
    7.6943   -1.8789    0.0000 Na  0  3
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7537    0.0000 C   0  0
    3.9019    0.7463    0.0000 C   0  0
    5.2031    1.4926    0.0000 C   0  0
    6.4999    0.7389    0.0000 C   0  0
    6.4957   -0.7611    0.0000 N   0  0
    5.1945   -1.5074    0.0000 C   0  0
    3.8933   -3.7570    0.0000 P   0  0
    3.8912   -5.2570    0.0000 O   0  0
    5.1912   -4.5090    0.0000 O   0  0
    5.1937   -3.0093    0.0000 O   0  0
    1.2704   -2.2385    0.0000 P   0  0
   -0.0294   -2.9873    0.0000 O   0  0
   -0.0281   -1.4875    0.0000 O   0  0
    1.2713   -0.7385    0.0000 O   0  5
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  6 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
  6 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
M  CHG  2   4   1  21  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11463

> <plate>
PLATE 007

> <well>
D3

> <supplier_cmpd_name>
Risedronate Sodium

> <ctcr_id>
3058

> <supplier_cmpd_id>
T1041

> <smiles>
O.O.O.[Na+].OC(Cc1cccnc1)(P(=O)(O)O)P(=O)(O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS2093H12,MFCD21091147,"Monosodium Risedronate Hemipentahydrate",T1041,1505944,"Risedronate Sodium","RISEDRONATE SODIUM HYDRATE"}

> <pdid>

> <targets>
{}

> <classes>
{"calcium regulator"}

> <pubchem_cids>
{45114147}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
   12.6008    1.2633    0.0000 Cl  0  0
   -0.4790    3.2447    0.0000 C   0  0
   -0.4497    1.7450    0.0000 N   0  0
    0.0899   -0.9624    0.0000 C   0  0
   -1.2593   -1.0074    0.0000 C   0  0
   -2.2487   -1.7270    0.0000 C   0  0
   -1.9429   -0.3058    0.0000 C   0  0
   -0.6656    0.3688    0.0000 C   0  0
    0.7196   -0.2249    0.0000 C   0  0
    1.9159   -0.1079    0.0000 C   0  0
    1.2773   -1.5561    0.0000 C   0  0
    3.1391    0.7273    0.0000 N   0  0
    4.4927    0.0791    0.0000 C   0  0
    4.6076   -1.4165    0.0000 O   0  0
    5.7314    0.9265    0.0000 C   0  0
    5.7531    2.4136    0.0000 N   0  0
    7.1915    2.8392    0.0000 N   0  0
    7.6927    4.2530    0.0000 C   0  0
    8.0400    1.6033    0.0000 C   0  0
    9.5272    1.4071    0.0000 C   0  0
   10.1008    0.0211    0.0000 C   0  0
    9.1873   -1.1687    0.0000 C   0  0
    7.7002   -0.9725    0.0000 C   0  0
    7.1266    0.4135    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  4  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 15  1  0
 24 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11464

> <plate>
PLATE 007

> <well>
D4

> <supplier_cmpd_name>
Granisetron hydrochloride

> <ctcr_id>
3291

> <supplier_cmpd_id>
T1042

> <smiles>
Cl.CN1C2CCCC1CC(C2)NC(=O)c3nn(C)c4ccccc34

> <pd_targets>
{KCNH2,HTR3A,HTR3B,HTR3C,HTR3D,HTR3E,CHRNA4,CHRNB2,SLC22A2,SLC47A1,CHRNA3}

> <pathway_gtopdb>
{"Ion channel",Transporter,"Voltage-gated ion channel","Ligand-gated ion channel","Electrochemical transporter","Potassium channels","5HT3 receptor","Nicotinic acetylcholine receptor","SLC superfamily
 of solute carriers","Voltage-gated potassium channel","Nicotinic acetylcholine receptor alpha subunit","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and toxin ext
rusion transporters"}

> <pathway_chembl>
{"Ion channels",Transporters,"Voltage-gated ion channels","Ligand-gated ion channels","SLC superfamily of solute carriers","Potassium channels","5-HT<sub>3</sub> receptors","SLC22 family of organic ca
tion and anion transporters","SLC47 family of multidrug and toxin extrusion transporters","Nicotinic acetylcholine receptors","Voltage-gated potassium channels","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Muscle contraction","Neuronal System","Transport of small molecules","Cardiac conduction","Transmission across Chemical Synapses","SLC-mediated transmembrane transport","Phase 3 - rapid repolarisati
on","Neurotransmitter receptors and postsynaptic signal transmission","Transport of bile salts and organic acids","metal ions and amine compounds","Organic cation/anion/zwitterion transport","Acetylch
oline binding and downstream events","Organic cation transport","Postsynaptic nicotinic acetylcholine receptors","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors"}

> <broad_targets>
{HTR3A}

> <broad_moa>
{"serotonin receptor antagonist"}

> <synonyms>
{"Granisetron hydrochloride","Granisetron HCl",107007-99-8,107007998,Kytril,"Granisetron (Hydrochloride)",C18H24N4O.HCl,"BRL 43694A","BRL 43694",GranisetronHydrochloride,SCHEMBL33433,MLS003915623,CHEM
BL1237080,HY-B0071A,HYB0071A,BRL-43694A,BRL43694A,Pharmakon1600-01502365,Pharmakon160001502365,BCP021,S1345}

> <pdid>
PD009662

> <targets>
{"5-HT Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{65264,57516016}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.6003    1.4978    0.0000 C   0  0
    3.8990    0.7455    0.0000 C   0  0
    5.2003    1.4932    0.0000 C   0  0
    5.2029    2.9932    0.0000 C   0  0
    6.4990    0.7410    0.0000 C   0  0
    7.8003    1.4887    0.0000 C   0  0
    9.0990    0.7365    0.0000 C   0  0
   10.4003    1.4842    0.0000 C   0  0
   10.4029    2.9842    0.0000 C   0  0
   11.6989    0.7320    0.0000 C   0  0
   11.6978   -0.7689    0.0000 C   0  0
   10.3979   -1.5174    0.0000 O   0  0
   12.9957   -1.5207    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    1.3164    2.2191    0.0000 C   0  0
   -1.3163    2.2193    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
  3 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11465

> <plate>
PLATE 007

> <well>
D5

> <supplier_cmpd_name>
Tretinoin

> <ctcr_id>
4718

> <supplier_cmpd_id>
T1051

> <smiles>
CC1=C(\C=C\C(C)=C\C=C\C(C)=C/C(O)=O)C(C)(C)CCC1

> <pd_targets>
{RARB,RARG,PPARD,NR2E1,RARA,RXRA,RXRB,FFP,RXRG,ALDH1A1,TGR,RORC,CYP3A4,CRABP1,RORB,PIN1,S1PR1,CRABP2,GROES,GROL,HIF1A,KDM4E,FTL,MAPT,MAPK1,RORA,TST,DUSP1,GMNN,NR2C2,KMT2A,MEN1,HSPD1,HSPE1,BLM,RECQL,AD
ORA3,HTR2B,IDO2,RARRES1,THRB,ABCB11,MAPK14,PMP22,ADRA2B,MTOR,OR51E2,NR1H2,NR1H3,NR4A1,VKORC1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Auxiliary transport protein","Membrane receptor","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Nuclear receptor",Transferase,Oxidoreductase,"
Cytochrome P450","Fatty acid binding protein family",Isomerase,"Family A G protein-coupled receptor",Eraser,Protease,Kinase,Phosphatase,Reader,"Nuclear hormone receptor subfamily 1","Nuclear hormone r
eceptor subfamily 2","Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Lysine demethylase","Cysteine protease","Protein Kinase","Protein Phosphatase",Bromodomain,"Nuclear hormone r
eceptor subfamily 1 group B","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 2 group E","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subf
amily 1 group F","Cytochrome P450 family 3A","Lipid-like ligand receptor (family A GPCR)","Jumonji domain-containing","Cysteine protease CA clan","CMGC protein kinase group","Serine/threonine/tyrosine
 protein phosphatase","Nuclear hormone receptor subfamily 2 group C","Nucleotide-like receptor (family A GPCR)","Monoamine receptor","Nuclear hormone receptor subfamily 1 group B member 2","Nuclear ho
rmone receptor subfamily 1 group B member 3","Nuclear hormone receptor subfamily 1 group C member 2","Nuclear hormone receptor subfamily 2 group E member 1","Nuclear hormone receptor subfamily 1 group
 B member 1","Nuclear hormone receptor subfamily 2 group B member 1","Nuclear hormone receptor subfamily 2 group B member 2","Nuclear hormone receptor subfamily 2 group B member 3","Nuclear hormone re
ceptor subfamily 1 group F member 3","Cytochrome P450 3A4","EDG receptor","Cysteine protease C1A family","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 1","Nucl
ear hormone receptor subfamily 2 group C member 2","Adenosine receptor","Serotonin receptor","CMGC protein kinase ERK1",Transporter,"Primary active transporter","ATP-binding cassette","Nuclear hormone
 receptor subfamily 1 group A","ABCB subfamily","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group A member 2","Adrenergic receptor","Atypical protein kinase PIKK family","CMG
C protein kinase p38 subfamily","Atypical protein kinase FRAP subfamily","Nuclear hormone receptor subfamily 4","Nuclear hormone receptor subfamily 1 group H","Nuclear hormone receptor subfamily 4 gro
up A","Nuclear hormone receptor subfamily 1 group H member 3","Nuclear hormone receptor subfamily 4 group A member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Cytochrome P450","Fatty acid-binding proteins","Peptidyl-prolyl cis/trans isomerases","G protein-coupled receptors","Chromatin m
odifying enzymes","Kinases (EC 2.7.x.x)","1.13.11.- Dioxygenases","1B. Retinoic acid receptors","1C. Peroxisome proliferator-activated receptors","2E. Tailless-like receptors","2B. Retinoid X receptor
s","1F. Retinoic acid-related orphans","CYP3 family","Lysophospholipid (S1P) receptors","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","2C. Testicular receptors","Ade
nosine receptors","5-Hydroxytryptamine receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily",Transporters,"ATP-binding cassette transporter family","1A. Thyroid hormone receptor
s","ABCB subfamily",Adrenoceptors,Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","p38 subfamily","FRAP subfamily","1.-.-.- Oxidoreductases","1H. Liver X receptor-like recepto
rs","4A. Nerve growth factor IB-like receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Signal Transduction","Metabolism of proteins","Cellular responses to external stimuli","Vesicle-mediated transport","Neuronal System","Immune System","Ce
ll Cycle","DNA Repair","RNA Polymerase II Transcription","The citric acid (TCA) cycle and respiratory electron transport","Intracellular signaling by second messengers","Post-translational protein mod
ification","Metabolism of lipids","Biological oxidations","Signaling by Nuclear Receptors","Signaling by GPCR","Cellular responses to stress","Membrane Trafficking","Transmission across Chemical Synap
ses","Innate Immune System","Metabolism of amino acids and derivatives","MAPK family signaling cascades",Mitotic,"DNA Double-Strand Break Repair","Generic Transcription Pathway","Pyruvate metabolism a
nd Citric Acid (TCA) cycle","PIP3 activates AKT signaling",SUMOylation,"Metabolism of steroids","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","
Signaling by Retinoic Acid","GPCR ligand binding","Cellular response to hypoxia","trans-Golgi Network Vesicle Budding","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Rece
ptor Cascades","Sulfur amino acid metabolism","MAPK1/MAPK3 signaling","Mitotic G1 phase and G1/S transition","Homology Directed Repair","Tryptophan catabolism","Nuclear Receptor transcription pathway"
,"Pyruvate metabolism","PTEN Regulation","SUMO E3 ligases SUMOylate target proteins","Bile acid and bile salt metabolism","Ethanol oxidation","Transcriptional regulation by RUNX3","Biosynthesis of DHA
-derived SPMs","RA biosynthesis pathway","Transcriptional Regulation by TP53","Class A/1 (Rhodopsin-like receptors)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Golgi A
ssociated Vesicle Biogenesis","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","Degradation of cysteine and homocysteine","RAF/MAP kinase cascade","G1/S Tra
nsition","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Regulation of pyruvate dehydrogenase (PDH) complex","Regulation of PTEN gene transcription","SUMOylation of intr
acellular receptors","Synthesis of bile acids and bile salts","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Regulation of TP53 Activity","Lysosphingolipid and LPA re
ceptors","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","Sulfide oxidation to sulfate","Negative regulation of MAPK pathway","Activation of the pre-replicative com
plex","HDR through Homologous Recombination (HRR)","Nucleotide-like (purinergic) receptors","Amine ligand-binding receptors","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Biosynt
hesis of maresin-like SPMs","Regulation of TP53 Activity through Acetylation","Activation of AMPK downstream of NMDARs","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","Adenosine 
P1 receptors","Serotonin receptors","PI5P Regulates TP53 Acetylation","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","ERK/MAPK
 targets","ERKs are inactivated","Developmental Biology","Nervous system development","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR downstream signalling","G alpha (s) signall
ing events","Olfactory Signaling Pathway","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol",Adrenoceptors,"Regulation of TP53 Expression and Degradation","Regulation of TP53 Degra
dation","Activation of the AP-1 family of transcription factors",Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of vitamins and cofactors","PI3K
/AKT Signaling in Cancer","Metabolism of fat-soluble vitamins","Constitutive Signaling by AKT1 E17K in Cancer","Metabolism of vitamin K"}

> <broad_targets>
{ALDH1A1,ALDH1A2,GPRC5A,NR0B1,NR2C2,PPARD,RARA,RARB,RARG,RARRES1,RORB,RORC,RXRB,RXRG}

> <broad_moa>
{"retinoid receptor agonist","retinoid receptor ligand"}

> <synonyms>
{Isotretinoin,"13-cis-Retinoic acid","13cisRetinoic acid",4759-48-2,4759482,Accutane,Roaccutane,"Neovitamin A acid","13-cis-Vitamin A acid","13cisVitamin A acid","13-cis retinoic acid","13cis retinoic
 acid",Claravis,Amnesteem,Isotrex,Teriosal,Sotret,ISOTRETINON,isotretinoino,Isotretinoine,Isotretinoinum,Roaccutan,1,T1611,T1051,SAM002548955,1502013,Prestw-256,Tretinoin,CPD000471891}

> <pdid>
PD001430

> <targets>
{}

> <classes>
{antineoplastic,antiacne}

> <pubchem_cids>
{5282379}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    3.8634    3.7731    0.0000 Cl  0  0
    3.8627    2.2731    0.0000 C   0  0
    2.5631    1.5224    0.0000 C   0  0
    2.5625    0.0216    0.0000 N   0  0
    1.2990   -0.7500    0.0000 P   0  0
    1.2623   -2.2495    0.0000 O   0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2494    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  5  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11466

> <plate>
PLATE 007

> <well>
D6

> <supplier_cmpd_name>
Ifosfamide

> <ctcr_id>
6550

> <supplier_cmpd_id>
T1055

> <smiles>
ClCCN[P]1(=O)OCCCN1CCCl

> <pd_targets>
{KMT2A,MEN1,LMNA,AMPC}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein",Enzyme,Reader,Hydrolase,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CYP2A6,CYP2B6,CYP2C18,CYP2C19,CYP2C8,CYP2C9,CYP3A4,CYP3A5,CYP3A7,PTGS1}

> <broad_moa>
{"DNA alkylating agent"}

> <synonyms>
{ifosfamide,Isophosphamide,3778-73-2,3778732,Iphosphamide,Isofosfamide,Ifosfamid,Mitoxana,Ifex,Iphosphamid,Isoendoxan,Naxamide,I-Phosphamide,IPhosphamide,Holoxan,Cyfos,Ifsofamide,"Holoxan 1000","ASTA 
Z 4942",Ifosfamida,Ifosfamidum,"MJF 9325",isosfamide,NCI-C01638,NCIC01638,MJ,T1055,109724,S1302,1505480,Prestw-833,"NSC 109724",Ifosfamide,IFOSFAMIDE}

> <pdid>
PD000385

> <targets>
{DNA Alkylator/Crosslinker}

> <classes>
{antineoplastic,Alkylating agent,Cell Cycle/DNA Damage}

> <pubchem_cids>
{3690}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 15  0  0  0  0            999 V2000
   10.1894   -2.2553    0.0000 H   0  3
    7.6894   -2.2553    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11467

> <plate>
PLATE 007

> <well>
D7

> <supplier_cmpd_name>
Isoprenaline hydrochloride

> <ctcr_id>
33

> <supplier_cmpd_id>
T1056

> <smiles>
[H+].[Cl-].CC(C)NCC(O)c1ccc(O)c(O)c1

> <pd_targets>
{TSHR,ALDOA,ADRB3,ADRB1,ADRB2,FFP,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,MAPT,ALOX15,ALD,HSD17B10,KDM4E,TDP1,PMP22,RXFP1,MAPK1,AMPC,BLM,POLB,NS1,GAA,TAS2R46,TAS2R31,TAS2R50,TAS2R10,TAS2R41,DRD3,TAS
2R45,MTOR,DRD4,TAS2R14,TAS2R4,DRD2,TAS2R3,TAS2R40,TAS2R39,TAS2R9,TAS2R8,TAS2R13,TAS2R43,TAS2R16,TAS2R19,TAS2R7,TAS2R42,TAS2R60,TAS2R38,TAS2R30,TAS2R1,TAS2R5,TAS2R20,PIK3R1,PIK3R2,PIK3R3,PDE4,MPI,TGR,N
FKB1,HIF1A,CYP3A4,CYP1A2,KMT2A,MEN1,HPGD,LMNA,CYP2C19,ALDH1A1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other cytosolic protein","Epigenetic regulator","Unclassified protein","Family A G protein-coupled receptor",Lyase,Transferase,Oxidoreductase,Eraser,Hydrolase,Kinase,"Tast
e family G protein-coupled receptor",Isomerase,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Lysine demethylase","Protein Kinase","Taste receptor (taste family GPCR)","
Glycohormone receptor","Monoamine receptor","Jumonji domain-containing","Relaxin-like peptide receptor (family A GPCR)","CMGC protein kinase group","Atypical protein kinase group","Adrenergic receptor
","Relaxin receptor","CMGC protein kinase MAPK family","Dopamine receptor","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","Transcription fact
or","Other nuclear protein","Cytochrome P450",Reader,"Cytochrome P450 family 3","Cytochrome P450 family 1",Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 3A","Cytochrome P450 family 1A
","Cytochrome P450 family 2C","Cytochrome P450 3A4","Cytochrome P450 1A1","Cytochrome P450 2C19"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","3.2.1.- Glycosidases","Glycerophospholipid turnover","Glycoprotein hormone 
receptors",Adrenoceptors,Lipoxygenases,"1.14.11.- Histone demethylases","Relaxin family peptide receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Orphan and other 7TM receptors","Dopamine re
ceptors",Atypical,"Phosphatidylinositol kinases","Mitogen-activated protein kinases (MAP kinases)","Taste 2 receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","
FRAP subfamily","Cytochrome P450","CYP3 family","CYP1 family","Prostaglandin synthases","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Disease,Hemostasis,"Neuronal System",Metabolism,"DNA Repair","Developmental Biology","Immune System","Signal Transduction","Gene expression (Transcription)","Metabolism of proteins","Infectious disea
se","Platelet activation","signaling and aggregation","Transmission across Chemical Synapses","Metabolism of lipids","Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Nervo
us system development","Innate Immune System","Base Excision Repair","Diseases of metabolism","Signaling by GPCR","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor re
ceptors and second messengers","Signaling by Receptor Tyrosine Kinases","Adaptive Immune System","Post-translational protein modification","Leishmania infection","Response to elevated platelet cytosol
ic Ca2+","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Nonhomologous End-Joining
 (NHEJ)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Receptor Cascades","Homology Directed Repair","Resolution of Abasic Sites (AP sites)","Diseases of carbohydrate met
abolism","GPCR downstream signalling","GPCR ligand binding","Generic Transcription Pathway","Signaling by FGFR in disease","Signaling by Insulin receptor","Costimulation by the CD28 family","Asparagin
e N-linked glycosylation","Leishmania parasite growth and survival","Platelet degranulation","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DPA-derived SPMs","Toll Like Recept
or 5 (TLR5) Cascade","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycogen storage dise
ases","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","Insulin receptor signalling cascade","CD28 co-stimula
tion","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosaccharide","LLO) and transfer to a nascent protein","Anti-inflammatory response favouring Leishmania parasite infection","Pos
t NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","HDR through Homologous Recombination (HRR)","PCNA-Dependent Long Patch Base Excision Repa
ir","Glycogen storage disease type II (GAA)","Amine ligand-binding receptors","Regulation of TP53 Activity","FGFR1 mutant receptor activation","IRS-mediated signalling","CD28 dependent PI3K/Akt signal
ing","Synthesis of substrates in N-glycan biosythesis","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins an
d resolvins","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","Dopamine receptors","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI
3K Cascade",Adrenoceptors,"Synthesis of GDP-mannose","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degrad
ation","ERK/MAPK targets","ERKs are inactivated","Cellular responses to external stimuli","Cell Cycle","Cytokine Signaling in Immune system","Cellular responses to stress","Biological oxidations",Mito
tic,"Signaling by Interleukins","Cellular response to hypoxia","Phase I - Functionalization of compounds","M Phase","Interleukin-1 family signaling","Oxygen-dependent proline hydroxylation of Hypoxia-
inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Ethanol oxidation","Interleukin-1 signaling","Biosynthesis o
f maresins",Xenobiotics,"Biosynthesis of D-series resolvins","Mitotic Anaphase","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated 
or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{AKOS026750017,"l-Isoprenaline hydrochloride","lIsoprenaline hydrochloride",MCULE-1456958404,MCULE1456958404,"(2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)-propan-2-ylazanium;chloride","(2(3,4dihydroxyphen
yl)2hydroxyethyl)propan2ylazanium;chloride","Isoprenaline hydrochloride","ISOPROTERENOL HYDROCHLORIDE",51-30-9,51309,Isuprel,"Isoprenaline HCl",Euspiran,Aerolo,S2566,SAM002554906,1500357,CPD000058267}

> <pdid>
PD009570

> <targets>
{"Adrenergic Receptor"}

> <classes>
{bronchodilator,"Neuronal Signaling"}

> <pubchem_cids>
{57513594,13701,5807}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 47  0  0  0  0            999 V2000
    4.8086   -5.7146    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 O   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4990   -0.7410    0.0000 C   0  0
   -7.8525   -1.3573    0.0000 C   0  0
   -8.1608   -2.8253    0.0000 C   0  0
   -8.8523   -0.2391    0.0000 O   0  0
   -8.0978    1.0573    0.0000 C   0  0
   -8.7032    2.4298    0.0000 O   0  0
   -6.6317    0.7404    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.1815   -9.7846    0.0000 C   0  0
    2.6502  -10.0894    0.0000 C   0  0
    3.1207  -11.5137    0.0000 C   0  0
    2.1224  -12.6333    0.0000 C   0  0
    0.6537  -12.3286    0.0000 C   0  0
    0.1832  -10.9042    0.0000 C   0  0
   -1.2862  -10.5994    0.0000 C   0  0
   -1.8838   -9.2375    0.0000 N   0  0
   -3.3745   -9.4039    0.0000 O   0  0
   -3.6769  -10.8731    0.0000 C   0  0
   -5.0433  -11.4920    0.0000 O   0  0
   -2.3731  -11.6147    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 15  1  0
 10 22  2  0
 22  6  1  0
 22 23  1  0
 23  4  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 28 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 36 37  1  0
 37 38  2  3
 38 39  1  0
 39 40  1  0
 40 41  2  0
 40 42  1  0
 42 37  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11468

> <plate>
PLATE 007

> <well>
D8

> <supplier_cmpd_name>
Azilsartan

> <ctcr_id>
2900

> <supplier_cmpd_id>
T1057

> <smiles>
CCOc1nc2cccc(C(=O)OCC3=C(C)OC(=O)O3)c2n1Cc4ccc(cc4)c5ccccc5C6=NOC(=O)N6

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Azilsartan Medoxomil",S3057,Azilsartan}

> <pdid>

> <targets>
{RAAS}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{11238823}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 10  0  0  0  0            999 V2000
   10.1000   -1.1221    0.0000 N   0  0
    7.6000   -1.1221    0.0000 N   0  0
    5.1000   -1.1221    0.0000 Pt  0  2
    1.2999   -3.3035    0.0000 O   0  5
    1.3000   -1.8035    0.0000 C   0  0
    2.5993   -1.0540    0.0000 O   0  0
    0.0000   -1.0607    0.0000 C   0  0
    1.0607    0.0000    0.0000 C   0  0
    0.0000    1.0607    0.0000 C   0  0
   -1.0607    0.0000    0.0000 C   0  0
   -1.3001   -1.8040    0.0000 C   0  0
   -2.5989   -1.0535    0.0000 O   0  5
   -1.3012   -3.3040    0.0000 O   0  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  7  1  0
  7 11  1  0
 11 12  1  0
 11 13  2  0
M  CHG  3   3   2   4  -1  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11469

> <plate>
PLATE 007

> <well>
D9

> <supplier_cmpd_name>
Carboplatin

> <ctcr_id>
1428

> <supplier_cmpd_id>
T1058

> <smiles>
N.N.[Pt++].[O-]C(=O)C1(CCC1)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Paraplatin,UNII-BG3F62OND5,UNIIBG3F62OND5,BG3F62OND5,"cis-Diammine(1,1-cyclobutanedicarboxylato) platinum","cisDiammine(1,1cyclobutanedicarboxylato) platinum","platinum, diammine (1,1-cyclobutane-dic
arboxylato(2-)-0,0')-,(SP-4-2)","platinum, diammine (1,1cyclobutanedicarboxylato(2)0,0'),(SP42)","cis-Diamine(1,1-cyclobutanedicarboxylato)platinum(II)","cisDiamine(1,1cyclobutanedicarboxylato)platinu
m(II)",AMY33401,s1215,CCG-2683,CCG2683,T1058,S1215,1502106,Carboplatin,carboplatin,CARBOPLATIN}

> <pdid>

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{antineoplastic,convulsant,"DNA Damage"}

> <pubchem_cids>
{10339178}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    2.3946    6.2666    0.0000 C   0  0
    1.7758    7.6330    0.0000 C   0  0
    0.2850    7.4666    0.0000 C   0  0
   -0.7319    8.5693    0.0000 O   0  0
    0.0000    6.0000    0.0000 C   0  0  2  0  0  0
   -1.2212    6.8710    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12  7  1  0
 12 13  1  1
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16  6  1  0
 16 17  1  0
 17  3  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21  2  1  0
 21 22  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11470

> <plate>
PLATE 007

> <well>
D10

> <supplier_cmpd_name>
Formestane

> <ctcr_id>
3187

> <supplier_cmpd_id>
T1099

> <smiles>
CC1=C2CCC3C4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{KBio3_002475,KBio3002475,KBio3-002475,"KBio3 002475",Spectrum_001593,Spectrum001593,Spectrum-001593,"Spectrum 001593",SpecPlus_000828,SpecPlus000828,SpecPlus-000828,"SpecPlus 000828",Spectrum2_000029
,Spectrum2000029,Spectrum2-000029,"Spectrum2 000029",Spectrum3_001618,Spectrum3001618,Spectrum3-001618,"Spectrum3 001618",Spectrum4_000590,Spectrum4000590,Spectrum4-000590,"Spectrum4 000590",Spectrum5
_001328,Spectrum5001328,Spectrum5-001328,"Spectrum5 001328",BSPBio_003255,BSPBio003255,BSPBio-003255,"BSPBio 003255",KBioGR_001060,KBioGR001060,KBioGR-001060,"KBioGR 001060",KBioSS_002073,KBioSS002073
,KBioSS-002073,"KBioSS 002073",DivK1c_006924,DivK1c006924,DivK1c-006924,"DivK1c 006924",SPECTRUM1504116,SPBio_000097,SPBio000097,SPBio-000097,"SPBio 000097",KBio1_001868,KBio1001868,KBio1-001868,"KBio
1 001868",KBio2_002073,KBio2002073,KBio2-002073,"KBio2 002073",KBio2_004641,KBio2004641,KBio2-004641,"KBio2 004641",KBio2_0,KBio20,KBio2-0,"KBio2 0",1504116,FORMESTANE}

> <pdid>
PD001277

> <targets>
{}

> <classes>
{antineoplastic,"aromatase inhibitor"}

> <pubchem_cids>
{6708789}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 F   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 C   0  0
   -2.5936   -6.0031    0.0000 O   0  0
    0.0042   -5.9990    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15  2  1  0
 15 16  1  0
 16  5  1  0
 16 10  2  0
 13 17  1  0
 17 18  1  0
 17 19  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11471

> <plate>
PLATE 007

> <well>
D11

> <supplier_cmpd_name>
Flumequine

> <ctcr_id>
3707

> <supplier_cmpd_id>
T1060

> <smiles>
CC1CCc2cc(F)cc3C(=O)C(=CN1c23)C(O)=O

> <pd_targets>
{ALD}

> <pathway_gtopdb>
{Enzyme}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{flumequine,42835-25-6,42835256,R-802,R802,Apurone,Flumigal,MLS000069546,CHEBI:85269,MFCD00079298,NCGC00018211-03,NCGC0001821103,Flumequinum,Flumequino,Flumiquil,Flumisol,Imequyl,SMR000058826,Flumix,"
R 802 (bactericide)",DSSTox_CID_25623,DSSToxCID25623,DSSTox-CID-25623,"DSSTox CID 25623",DSSTox_RID_81008,DSSToxRID81008,DSSTox-RID-81008,"DSSTox RID 81008",DSSTox_GSID_45623,DSSToxGSID45623,DSSTox-GS
ID-45623,"DSSTox GSID 45623",T1060,1500992,Prestw-204,Flumequine,FLUMEQUINE}

> <pdid>
PD001520

> <targets>
{Antibiotic,Bacterial,Topoisomerase}

> <classes>
{antibacterial,Anti-infection,Cell Cycle/DNA Damage}

> <pubchem_cids>
{3374}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -6.4946   -3.7544    0.0000 O   0  0
   -7.7945   -3.0042    0.0000 C   0  0
   -9.0950   -3.7517    0.0000 C   0  0
  -10.3926   -2.9993    0.0000 C   0  0
  -10.3898   -1.4993    0.0000 C   0  0
  -11.6866   -0.7438    0.0000 S   0  0
  -11.6817    0.7571    0.0000 C   0  0
  -12.9778    1.5121    0.0000 F   0  0
  -10.3800    1.5024    0.0000 F   0  0
  -11.6761    2.2570    0.0000 F   0  0
   -9.0894   -0.7517    0.0000 C   0  0
   -7.7918   -1.5041    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -3.8919   -5.2525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9  2  1  0
  9 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 19 25  1  0
 25 26  2  0
 26 16  1  0
 14 27  1  0
 27 28  1  0
 27 29  2  0
 29 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11472

> <plate>
PLATE 007

> <well>
E2

> <supplier_cmpd_name>
Toltrazuril

> <ctcr_id>
5216

> <supplier_cmpd_id>
T1061

> <smiles>
CN1C(=O)NC(=O)N(C1=O)c2ccc(Oc3ccc(SC(F)(F)F)cc3)c(C)c2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"antiprotozoal agent"}

> <synonyms>
{Toltrazuril,69004-03-1,69004031,Baycox,"bay vi 9142","Bay-i 9142","Bayi 9142",UNII-QVZ3IAR3JS,UNIIQVZ3IAR3JS,QVZ3IAR3JS,Toltrazurilo,Toltrazurilum,Toltrazuril-d3,Toltrazurild3,MFCD00867201,"Toltrazur
ilum (Latin)","Toltrazurilo (Spanish)",SR-05000001740,SR05000001740,"Toltrazuril (USAN:INN:BAN)",T1061,1505681,Prestw-1195,TOLTRAZURIL}

> <pdid>
PD000337

> <targets>
{Antibiotic,Parasite}

> <classes>
{coccidiostat,Anti-infection}

> <pubchem_cids>
{68591}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  0  0            999 V2000
    6.4833   -9.7648    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    6.4920   -5.2654    0.0000 C   0  0
    7.7894   -6.0199    0.0000 C   0  0
    9.0912   -5.2749    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1929   -3.0062    0.0000 C   0  0
    5.1933   -1.5053    0.0000 C   0  0
    6.4928   -0.7545    0.0000 C   0  0
    7.7919   -1.5045    0.0000 O   0  0
    6.4933    0.7455    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 10 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11473

> <plate>
PLATE 007

> <well>
E3

> <supplier_cmpd_name>
Proglumide

> <ctcr_id>
6134

> <supplier_cmpd_id>
T1052

> <smiles>
CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1

> <pd_targets>
{KMT2A,MEN1,AMPC,NFO,LMNA,CCKAR,CCKBR,HSD17B10,FFP}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other nuclear protein","Membrane receptor",Reader,Hydrolase,"Family A G protein-coupled receptor",Oxidoreductase,Transferase,Bromodomain,"Peptide receptor (family A GPC
R)","Short peptide receptor (family A GPCR)","Cholecystokinin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Cholecystokinin receptors"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction",Metabolism,Mitotic,"Signaling by GPCR","Metabolism of amino acids and derivatives","M Phase","GPCR ligand binding","Branched-chain amino acid catabolism","Mitotic M
etaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Mitotic Anaphase","Peptide ligand-binding receptors","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"
}

> <broad_targets>
{CCKAR,CCKBR}

> <broad_moa>
{"CCK receptor antagonist"}

> <synonyms>
{proglumide,6620-60-6,6620606,"4-benzamido-5-(dipropylamino)-5-oxopentanoic acid","4benzamido5(dipropylamino)5oxopentanoic acid",Proglumidum,Proglumida,"Pentanoic acid, 4-(benzoylamino)-5-(dipropylami
no)-5-oxo-","Pentanoic acid, 4(benzoylamino)5(dipropylamino)5oxo",W-5219,W5219,"(+-)-4-Benzamido-N,N-dipropylglutaramic acid","(+)4BenzamidoN,Ndipropylglutaramic acid",Binoside,Xylamide,Nulsa,Pentanoi
c,T1052,1501119,Prestw-240,Proglumide,PROGLUMIDE}

> <pdid>
PD001891

> <targets>
{}

> <classes>
{anticholinergic}

> <pubchem_cids>
{4922}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 32  0  0  0  0            999 V2000
   14.0758   -7.1303    0.0000 H   0  3
   11.5758   -7.1303    0.0000 Cl  0  5
    7.7855   -6.0140    0.0000 C   0  0
    7.7850   -7.5140    0.0000 C   0  0
    6.4855   -8.2648    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0031    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    5.1830  -10.5134    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    9.0758  -12.7741    0.0000 C   0  0
    9.0706  -14.2741    0.0000 C   0  0
    7.7690  -15.0196    0.0000 C   0  0
    7.7607  -16.5204    0.0000 O   0  0
    6.4581  -17.2641    0.0000 C   0  0
    6.4726  -14.2651    0.0000 C   0  0
    6.4778  -12.7651    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 13  1  0
  5 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 29 32  1  0
 32 33  2  0
 33 26  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11474

> <plate>
PLATE 007

> <well>
E4

> <supplier_cmpd_name>
Mebeverine hydrochloride

> <ctcr_id>
2597

> <supplier_cmpd_id>
T1053

> <smiles>
[H+].[Cl-].CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2

> <pd_targets>
{CYP3A4,LMNA,AMPC,TSHR,CYP2D6}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor","Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Cytochrome P450 fam
ily 2","Cytochrome P450 family 3A","Glycohormone receptor","Cytochrome P450 family 2D","Cytochrome P450 3A4","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP3 family","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Metabolism of lipids",Mitotic,"Infectious disease","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Leishmania infection
","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type
","Biosynthesis of maresins","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly",
"ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CHRM1}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"MEBEVERINE HYDROCHLORIDE",2753-45-9,2753459,"Mebeverine HCl",Duspatalin,Colofac,Csag-144,Csag144,"CSAG 144","Mebeverine (hydrochloride)","Mebeverine hydrochloride (USAN)",MLS000028652,Duspatal,Rudak
ol,SMR000058862,DSSTox_CID_25372,DSSToxCID25372,DSSTox-CID-25372,"DSSTox CID 25372",DSSTox_RID_8,DSSToxRID8,DSSTox-RID-8,"DSSTox RID 8",T1053,1501117,Prestw-310,"Mebeverine hydrochloride"}

> <pdid>
PD013191

> <targets>
{}

> <classes>
{"muscle relaxant (smooth)"}

> <pubchem_cids>
{17683,657305,57458818}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
   11.6982   -0.7537    0.0000 C   0  0
   10.3987   -1.5029    0.0000 C   0  0
    9.0990   -0.7525    0.0000 C   0  0
    7.7988   -1.5020    0.0000 C   0  0
    6.4990   -0.7516    0.0000 N   0  0
    5.1988   -1.5012    0.0000 C   0  0
    5.1983   -3.0012    0.0000 O   0  0
    3.8990   -0.7508    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8975   -2.2510    0.0000 O   0  0
    2.5983   -3.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11475

> <plate>
PLATE 007

> <well>
E5

> <supplier_cmpd_name>
Tolbutamide

> <ctcr_id>
1355

> <supplier_cmpd_id>
T1054

> <smiles>
CCCCNC(=O)N[S](=O)(=O)c1ccc(C)cc1

> <pd_targets>
{ALB,TSHR,LEF,CHRM1,KCNJ11,CYP2C9,LMNA,ALDH1A1,SLC22A6,ABCC8,KCNJ8,KCNJ1}

> <pathway_gtopdb>
{"Secreted protein","Membrane receptor",Enzyme,"Ion channel","Other nuclear protein",Transporter,"Family A G protein-coupled receptor",Protease,"Voltage-gated ion channel","Cytochrome P450",Oxidoreduc
tase,"Electrochemical transporter","Primary active transporter","Peptide receptor (family A GPCR)","Metallo protease","Small molecule receptor (family A GPCR)","Potassium channels","Cytochrome P450 fa
mily 2","SLC superfamily of solute carriers","ATP-binding cassette","Glycohormone receptor","Metallo protease MAE clan","Monoamine receptor","Inwardly rectifying potassium channel","Cytochrome P450 fa
mily 2C","SLC22 family of organic cation and anion transporters","ABCC subfamily","Metallo protease M34 family","Acetylcholine receptor","Cytochrome P450 2C9"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,Transporters,"G protein-coupled receptors","Voltage-gated ion channels","Cytochrome P450","SLC superfamily of solute carriers","ATP-binding cassette transporter famil
y","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","Potassium channels","CYP2 family: drug metabolising subset","SLC22 family of organic cation and anion transporters","ABCC su
bfamily","Inwardly rectifying potassium channels","Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Cell Cycle","Transport of small molecules","Neuronal System","Metabolism of lipids","Infectious disease","Signaling by GPCR","Disorders of transmembrane tran
sporters","Biological oxidations",Mitotic,"SLC-mediated transmembrane transport","Potassium Channels","Metabolism of steroids","Leishmania infection","Uptake and actions of bacterial toxins","GPCR lig
and binding","ABC transporter disorders","Phase I - Functionalization of compounds","M Phase","Transport of bile salts and organic acids","metal ions and amine compounds","Inwardly rectifying K+ chann
els","Bile acid and bile salt metabolism","Leishmania parasite growth and survival","Uptake and function of anthrax toxins","Class A/1 (Rhodopsin-like receptors)","Defective ABCC8 can cause hypo- and 
hyper-glycemias","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Ethanol oxidation","Organic cation/anion/zwitterion transport","ATP sensitive Potassium channels","Pot
assium transport channels","Recycling of bile acids and salts","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors",Xenobiotics,"Mitotic Anaphase","Org
anic anion transport","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelo
pe (NE) Reformation"}

> <broad_targets>
{ABCC8,KCNJ1,KCNJ11,KCNJ8}

> <broad_moa>
{"ATP channel blocker"}

> <synonyms>
{RESTW19,tolbutamide,64-77-7,64777,Orinase,Artosin,1-Butyl-3-tosylurea,1Butyl3tosylurea,Tolbutamid,Aglicid,Arkozal,Diabetol,Dolipol,Rastinon,Tolumid,Diaben,Orabet,Tolylsulfonylbutylurea,Willbutamide,B
utamide,Diabetamid,Diabuton,Diasulfon,Dirastan,Glyconon,Ipoglicone,Pramidex,T1054,SAM002554936,1500581,Prestw-190,Tolbutamide,CPD000058363,TOLBUTAMIDE}

> <pdid>
PD001726

> <targets>
{Autophagy,Potassium Channel}

> <classes>
{antidiabetic,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{5505}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  0  0            999 V2000
    2.2393   -0.8531    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 S   0  0
   -2.0931    1.6049    0.0000 C   0  0
   -0.8796    2.4866    0.0000 C   0  0
   -0.6449    3.9681    0.0000 O   0  0
   -3.5690    1.8414    0.0000 N   0  0
   -4.1052    3.2432    0.0000 C   0  0
   -3.1595    4.4075    0.0000 O   0  0
   -5.5872    3.4806    0.0000 C   0  0
   -6.1234    4.8824    0.0000 C   0  0
   -7.5632    5.2548    0.0000 C   0  0
   -7.6369    6.7530    0.0000 S   0  0
   -6.2348    7.2861    0.0000 C   0  0
   -5.2946    6.1173    0.0000 C   0  0
   -6.5310    2.3137    0.0000 C   0  0
   -5.9935    0.9133    0.0000 O   0  0
   -8.0126    2.5480    0.0000 O   0  5
    2.6375    0.8603    0.0000 C   0  0
    2.9472    2.3279    0.0000 O   0  0
    3.7540   -0.1415    0.0000 O   0  5
    0.1196   -2.3934    0.0000 C   0  0
    8.7545    2.4519    0.0000 Na  0  3
    6.2545    2.4519    0.0000 Na  0  3
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  5  7  1  0
  7  8  1  0
  8  4  1  0
  8  9  2  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 14  1  0
 13 19  1  0
 19 20  2  0
 19 21  1  0
  3 22  1  0
 22 23  2  0
 22 24  1  0
  2 25  1  0
M  CHG  4  21  -1  24  -1  26   1  27   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11476

> <plate>
PLATE 007

> <well>
E6

> <supplier_cmpd_name>
Ticarcillin disodium

> <ctcr_id>
1054

> <supplier_cmpd_id>
T1063

> <smiles>
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ticarcillin disodium salt","TICARCILLIN DISODIUM",4697-14-7,4697147,29457-07-6,29457076,"Ticarcillin (sodium)",SCHEMBL4935403,AKOS025402077,AC-4338,AC4338,VA11873,VA11874,DB-070767,DB070767,A-8642,A
8642,T1063,S3193,"Ticarcillin disodium","Ticarcillin sodium"}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{20823}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  0  0            999 V2000
   17.9815   -3.0026    0.0000 O   0  0
   15.4815   -3.0026    0.0000 Cl  0  0
   12.9809   -2.9892    0.0000 F   0  0
   11.6844   -3.7436    0.0000 C   0  0
   11.6896   -5.2436    0.0000 C   0  0
   10.3931   -5.9981    0.0000 C   0  0
    9.0914   -5.2526    0.0000 C   0  0
    9.0864   -3.7526    0.0000 C   0  0
   10.3828   -2.9981    0.0000 C   0  0
    7.7928   -6.0048    0.0000 C   0  0
    7.7953   -7.5048    0.0000 O   0  0
    6.4915   -5.2571    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1925   -3.0070    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 S   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 20  1  0
 30 31  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11477

> <plate>
PLATE 007

> <well>
E7

> <supplier_cmpd_name>
Ketanserin

> <ctcr_id>
4553

> <supplier_cmpd_id>
T1066

> <smiles>
O.Cl.Fc1ccc(cc1)C(=O)C2CCN(CC2)CCN3C(=S)Nc4ccccc4C3=O

> <pd_targets>
{CHRM1,PMP22,HPGD,CYP2D6,NPSR1,HIF1A,NS1,KDM4E,ADRA1D,ALDH1A1,CYP3A4,HSD17B10,TP53,ALOX12,DRD5,HTR1B,HTR2C,ADRA1B,SLC18A1,HTR2A,HTR2B,ADORA3,DRD2,HTR7,HTR6,HTR5A,CYP2C19,SIGMAR1,CYP2C9,HTR1F,KMT2A,MEN
1,HTR1D,ADRA2B,ADRA2C,HTR1A,ADRA1A,HTR5B,SLC18A2,MAPT,LMNA,CYP1A2,HRH1,ADRA2A,DRD4,HTR4,FTL,RORC}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein",Enzyme,"Transcription factor","Epigenetic regulator",Transporter,"Other cytosolic protein","Other nuclear protein","Family A G protein-coupled receptor","Cy
tochrome P450",Eraser,Oxidoreductase,"Electrochemical transporter",Reader,"Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Lysine demethylase","
Cytochrome P450 family 3","SLC superfamily of solute carriers",Bromodomain,"Cytochrome P450 family 1","Monoamine receptor","Cytochrome P450 family 2D","Short peptide receptor (family A GPCR)","Jumonji
 domain-containing","Cytochrome P450 family 3A","SLC18 family of vesicular amine transporters","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Acety
lcholine receptor","Cytochrome P450 2D6","Neuropeptide receptor","Adrenergic receptor","Cytochrome P450 3A4","Dopamine receptor","Serotonin receptor","Adenosine receptor","Cytochrome P450 2C19","Cytoc
hrome P450 2C9","Cytochrome P450 1A1","Histamine receptor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 
1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Other protein targets","G protein-coupled receptors","Eicosanoid turnover","Cytochrome P450","Chromatin modifying enzymes","SLC superfamily of solute carriers","Sigma 
receptors","Acetylcholine receptors (muscarinic)","Prostaglandin synthases","CYP2 family: drug metabolising subset","Neuropeptide S receptor","1.14.11.- Histone demethylases",Adrenoceptors,"CYP3 famil
y",Lipoxygenases,"Dopamine receptors","5-Hydroxytryptamine receptors","SLC18 family of vesicular amine transporters","Adenosine receptors","CYP1 family","Histamine receptors","Nuclear hormone receptor
s","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Metabolism,Disease,"Cellular responses to external stimuli","Cell Cycle","Transport of small molecules","Neuronal System","Signaling by GPCR","Nervous sy
stem development","Metabolism of lipids","Biological oxidations","Infectious disease","Cellular responses to stress","Metabolism of amino acids and derivatives","Cell Cycle Checkpoints","SLC-mediated 
transmembrane transport","Transmission across Chemical Synapses",Mitotic,"GPCR ligand binding","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of specialized proresolvin
g mediators (SPMs)","Phase I - Functionalization of compounds","Leishmania infection","Cellular response to hypoxia","Branched-chain amino acid catabolism","G1/S DNA Damage Checkpoints","Transport of 
bile salts and organic acids","metal ions and amine compounds","SARS-CoV Infections","Neurotransmitter release cycle","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Class
 A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of 
Hypoxia-inducible Factor Alpha","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Biosynthesis of DPA-derived SPMs","Na+/Cl- dependent neurotransmitter transporters","Potential therapeut
ics for SARS","Dopamine Neurotransmitter Release Cycle","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Amine ligand-binding receptors","Biosynthesis of D-seri
es resolvins",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","p53-Dependent G1 DNA Damage Response","Biosynthesis of DPAn-3 SPMs","Nucleoti
de-like (purinergic) receptors","Post NMDA receptor activation events","Mitotic Anaphase","Muscarinic acetylcholine receptors","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines producti
on",Adrenoceptors,"Biosynthesis of maresin-like SPMs","Stabilization of p53","Biosynthesis of DPAn-3-derived maresins","Serotonin receptors","Adenosine P1 receptors","Dopamine receptors","Activation o
f AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Histamine receptors","Autodegradation of the E3 ubiquitin ligase COP
1","Initiation of Nuclear Envelope (NE) Reformation","Vesicle-mediated transport","Gene expression (Transcription)","Membrane Trafficking","RNA Polymerase II Transcription","trans-Golgi Network Vesicl
e Budding","Generic Transcription Pathway","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,DRD1,DRD5,HTR1A,HTR1B,HTR1D,HTR2A,HTR2B,HTR2C,HTR5A,HTR7,SLC18A1,SLC18A2}

> <broad_moa>
{"serotonin receptor antagonist"}

> <synonyms>
{SMR000466283,CPD000466283,MLS000758221,MLS001424187,CHEMBL1371857,CCG-101056,CCG101056,NC00306,"Altanserin hydrochloride hydrate, >=98 (HPLC), solid",T1066,SAM001247080,Ketanserin}

> <pdid>
PD000921

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23581819}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 65 67  0  0  1  0            999 V2000
   -2.6356    0.7667    0.0000 C   0  0
   -3.9572    0.0572    0.0000 C   0  0  1  0  0  0
   -5.2324    0.8470    0.0000 O   0  0
   -6.5541    0.1375    0.0000 C   0  0
   -7.4805    1.3183    0.0000 O   0  0
   -8.9661    1.1073    0.0000 C   0  0  2  0  0  0
   -9.9202    2.2907    0.0000 C   0  0
   -9.2155    3.5748    0.0000 C   0  0  2  0  0  0
   -7.7375    3.7664    0.0000 O   0  0
   -7.1839    5.1446    0.0000 C   0  0  2  0  0  0
   -6.5562    6.5070    0.0000 O   0  0
   -5.7392    5.2722    0.0000 C   0  0
   -4.8207    3.9541    0.0000 C   0  0  1  0  0  0
   -3.3319    4.1375    0.0000 O   0  0
   -5.3756    2.4952    0.0000 C   0  0
   -4.4835    1.2346    0.0000 C   0  0  1  0  0  0
   -2.9968    1.4341    0.0000 O   0  0
   -5.0097   -0.2110    0.0000 C   0  0  2  0  0  0
   -6.4972   -0.4040    0.0000 O   0  0
   -4.1264   -1.4827    0.0000 C   0  0
   -4.6625   -2.9294    0.0000 C   0  0
   -3.7771   -4.2209    0.0000 C   0  0  1  0  0  0
   -2.2876   -4.0435    0.0000 O   0  0
   -4.3087   -5.6169    0.0000 C   0  0
   -3.4221   -6.8278    0.0000 C   0  0  1  0  0  0
   -1.9380   -6.6095    0.0000 O   0  0
   -3.9217   -8.2404    0.0000 C   0  0
   -3.0782   -9.5164    0.0000 C   0  0
   -1.5870   -9.3537    0.0000 O   0  0
   -3.6186  -10.9233    0.0000 O   0  0
   -2.7211  -12.2337    0.0000 C   0  0  1  0  0  0
   -1.2319  -12.0542    0.0000 C   0  0
   -3.2672  -13.6815    0.0000 C   0  0  2  0  0  0
   -4.7523  -13.8921    0.0000 C   0  0
   -2.3485  -14.9090    0.0000 C   0  0  2  0  0  0
   -0.8622  -14.7067    0.0000 O   0  0
   -2.9222  -16.3800    0.0000 C   0  0  1  0  0  0
   -2.0939  -17.6305    0.0000 C   0  0
   -5.2533  -16.3126    0.0000 C   0  0
   -5.8719  -14.0564    0.0000 C   0  0
   -7.2967  -14.1818    0.0000 C   0  0
   -8.1745  -12.9599    0.0000 C   0  0
   -9.6344  -13.0664    0.0000 C   0  0
   -8.4215  -10.4217    0.0000 C   0  0
   -7.8844   -9.0755    0.0000 C   0  0
   -8.7292   -7.8801    0.0000 C   0  0
   -8.1515   -6.6300    0.0000 C   0  0
   -9.0082   -5.3253    0.0000 C   0  0
   -8.4359   -4.0255    0.0000 C   0  0
   -9.2454   -2.8766    0.0000 C   0  0
   -8.6839   -1.4774    0.0000 C   0  0
   -9.5287   -0.2820    0.0000 C   0  0
   -8.0154    6.3112    0.0000 C   0  0
   -9.4966    6.1495    0.0000 C   0  0  2  0  0  0
  -10.3864    7.3571    0.0000 O   0  0
  -10.0833    4.7978    0.0000 C   0  0  1  0  0  0
  -11.5775    4.6526    0.0000 C   0  0
  -12.1981    3.2870    0.0000 O   0  0
  -12.4503    5.8725    0.0000 O   0  0
   -6.6004   -1.3618    0.0000 C   0  0  1  0  0  0
   -7.9220   -2.0713    0.0000 O   0  0
   -5.3252   -2.1516    0.0000 C   0  0  1  0  0  0
   -5.3715   -3.6509    0.0000 N   0  0
   -4.0036   -1.4421    0.0000 C   0  0  2  0  0  0
   -2.7283   -2.2319    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  1
 31 33  1  0
 33 34  1  1
 33 35  1  0
 35 36  1  6
 35 37  1  0
 37 38  1  1
 37 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 51  1  0
 51 52  2  0
 52  6  1  0
 10 53  1  0
 53 54  1  0
 54 55  1  1
 54 56  1  0
 56  8  1  0
 56 57  1  6
 57 58  1  0
 57 59  2  0
  4 60  1  0
 60 61  1  6
 60 62  1  0
 62 63  1  6
 62 64  1  0
 64  2  1  0
 64 65  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11478

> <plate>
PLATE 007

> <well>
E8

> <supplier_cmpd_name>
Amphotericin B

> <ctcr_id>
7468

> <supplier_cmpd_id>
T1067

> <smiles>
C[C@H]1OC(O[C@@H]\2C[C@@H]3O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C[C@H](O)[C@H]3C(O)=O)[C@@H](O)[C@@H](N)[C@@
H]1O

> <pd_targets>
{HSD17B10,FFP,LMNA,CYP2C19,CTDSP1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Oxidoreductase,Transferase,Protease,"Cytochrome P450",Phosphatase,"Cysteine protease","Cytochrome P450 family 2","Protein Phosphatase","Cysteine protease CA clan","Cyto
chrome P450 family 2C","Serine/threonine protein phosphatase","Cysteine protease C1A family","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Metabolism of amino acids and derivatives",Mitotic,"Biological oxidations","Branched-chain amino acid catabolism","M Phase","Phase I - Functionalization of compounds","Mitoti
c Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Mitotic Anaphase",Xenobiotics,"Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Refor
mation"}

> <broad_targets>
{}

> <broad_moa>
{"membrane permeability enhancer"}

> <synonyms>
{MLS003915632,SMR002544688,BDBM96548,cid_9919339,cid9919339,cid-9919339,"cid 9919339",RKL10100,S1636,"Amphotericin B"}

> <pdid>
PD005726

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{9919339}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  8  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17  2  1  0
 17  6  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11479

> <plate>
PLATE 007

> <well>
E9

> <supplier_cmpd_name>
Anthralin

> <ctcr_id>
5416

> <supplier_cmpd_id>
T1068

> <smiles>
Oc1cccc2Cc3cccc(O)c3C(=O)c12

> <pd_targets>
{ALOX15,CYP3A4,SIRT5,TSHR,ALOX5,KMT2A,MEN1,HSD17B10,MAPT,ALDH1A1,THRB,HPN,L3MBTL1,USP2,KRT2,MAPK8IP1,KRT12}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Other cytosolic protein","Transcription factor",Oxidoreductase,Protease,"Cytochrome P450",Eraser,"Family A G protein-coupled receptor",Reader,"Nucle
ar receptor","Cysteine protease","Cytochrome P450 family 3","Histone deacetylase","Peptide receptor (family A GPCR)",Bromodomain,"Serine protease","Nuclear hormone receptor subfamily 1","Methyl-lysine
/arginine binding protein","Cysteine protease CA clan","Cytochrome P450 family 3A","HDAC class III","Glycohormone receptor","Serine protease PA clan","Nuclear hormone receptor subfamily 1 group A","MB
T domain","Cysteine protease C1A family","Cytochrome P450 3A4","Serine protease S1A subfamily","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine protease C19 family"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Cytochrome P450","Chromatin modifying enzymes","G protein-coupled receptors","Nuclear hormone receptors","Peptidases and proteinases",Lipoxygenases,"CYP3 fami
ly","3.5.1.- Histone deacetylases (HDACs)","Glycoprotein hormone receptors","1A. Thyroid hormone receptors","CA: Cysteine (C) Peptidases","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{Metabolism,"Organelle biogenesis and maintenance",Disease,"Neuronal System","Metabolism of proteins","Signal Transduction","Gene expression (Transcription)","Developmental Biology","Metabolism of lip
ids","Mitochondrial biogenesis","Infectious disease","Metabolism of amino acids and derivatives","Transmission across Chemical Synapses","Biological oxidations","Post-translational protein modificatio
n","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription",Keratinization,"Biosynthesis of specialized proresolving mediators (SPMs)","Transcriptional activation of mitochondrial bi
ogenesis","Leishmania infection","Branched-chain amino acid catabolism","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds",SUMOylation,"Signal
ing by MET","Generic Transcription Pathway","Formation of the cornified envelope","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Activ
ation of NMDA receptors and postsynaptic events","Ethanol oxidation","SUMO E3 ligases SUMOylate target proteins","MET Receptor Activation","Transcriptional Regulation by TP53","Biosynthesis of DPAn-3 
SPMs","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","SUMOylation of intracellular receptors","Regulation of TP5
3 Activity","Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of DPAn-3-derived 13-s
eries resolvins","Activation of AMPK downstream of NMDARs","Regulation of TP53 Activity through Methylation","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{RESTW122,NCGC00091330-04,NCGC0009133004,anthralin,Dithranol,1143-38-0,1143380,"1,8-Dihydroxyanthrone","1,8Dihydroxyanthrone","1,8-Dihydroxy-9-anthrone","1,8Dihydroxy9anthrone","1,8-Dihydroxyanthracen
-9(10H)-one","1,8Dihydroxyanthracen9(10H)one",Chrysodermol,Cignolin,"9(10H)-Anthracenone, 1,8-dihydroxy-","9(10H)Anthracenone, 1,8dihydroxy",Cigthranol,Batridol,Lasan,Psoriacid-Stift,PsoriacidStift,An
thra-D,AnthraD,T1068,1500127,Prestw-1224,Anthralin,ANTHRALIN}

> <pdid>
PD002470

> <targets>
{DNA/RNA Synthesis}

> <classes>
{antipsoriatic,Cell Cycle/DNA Damage}

> <pubchem_cids>
{2202}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 20  0  0  0  0            999 V2000
   12.9003   -0.3743    0.0000 Cl  0  0
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    7.7998   -2.9895    0.0000 C   0  0
    6.5010   -3.7399    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 12  1  0
 19 20  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11480

> <plate>
PLATE 007

> <well>
E10

> <supplier_cmpd_name>
Metoclopramide hydrochloride

> <ctcr_id>
6171

> <supplier_cmpd_id>
T1069

> <smiles>
Cl.CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC

> <pd_targets>
{CYP2D6,AMPC,CYP1A2,DRD2,RAB9A,HTR4,HTR3A,HTR3B,HTR2A,ADRA1A,ADRA1B,ADRA1D,DRD3,HTR2B,HTR2C,HTR3C,HTR3D,HTR3E,LMNA,ADRA2C,CHRM1,HTR6,ESR2,HTR1A,HTR1B,HTR1D,HTR1F,ADRA2A,ADRA2B,ALB,MPO,ALDH1A1,SLC22A1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrom
e P450 family 2D","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 2D6","Cytochrome P450 1A1","Dopamine receptor","Ion channel","Other nuclear protein","Transcription factor","Secrete
d protein",Transporter,"Ligand-gated ion channel","Nuclear receptor",Oxidoreductase,"Electrochemical transporter","5HT3 receptor","Nuclear hormone receptor subfamily 3","SLC superfamily of solute carr
iers","Nuclear hormone receptor subfamily 3 group A","SLC22 family of organic cation and anion transporters","Serotonin receptor","Adrenergic receptor","Acetylcholine receptor","Nuclear hormone recept
or subfamily 3 group A member 2"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP1 family","Dopamine receptors","Ion channels",Transporters,"Ligand-gated ion channels","N
uclear hormone receptors","1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","5-Hydroxytryptamine receptors","5-HT<sub>3</sub> receptors",Adrenoceptors,"Acetylcholine receptors (muscarinic
)","Steroid hormone receptors","SLC22 family of organic cation and anion transporters","3A. Estrogen receptors","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Biological oxidations","Signaling by GPCR","Phase I - Functionalization of compounds","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Class A/1
 (Rhodopsin-like receptors)",Xenobiotics,"Amine ligand-binding receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Dopamine receptors",Disease,"Cell Cycle
","Neuronal System","Immune System","Transport of small molecules","Signaling by Rho GTPases","Infectious disease",Mitotic,"Transmission across Chemical Synapses","Intracellular signaling by second me
ssengers","Metabolism of lipids","Innate Immune System","SLC-mediated transmembrane transport","Rho GTPase cycle","Leishmania infection","M Phase","Neurotransmitter receptors and postsynaptic signal t
ransmission","PIP3 activates AKT signaling","Metabolism of steroids","ROS and RNS production in phagocytes","Transport of bile salts and organic acids","metal ions and amine compounds","RHOBTB GTPase 
Cycle","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Negative regulation of the PI3K/AKT network","Bile acid and bile salt metabolism","Events associated with phagocytoly
tic activity of PMN cells","Ethanol oxidation","Organic cation/anion/zwitterion transport","RHOBTB3 ATPase cycle","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase
",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Recycling of bile acids and salts","Organic cation transport","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors","Nucle
ar Envelope (NE) Reassembly",Adrenoceptors,"Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CHRM1,DRD2,HTR3A,HTR3B,HTR4}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{"Metoclopramide Base","2-Methoxy-4-amino-5-chloro-N,N-dimethylaminoethyl)benzamide","2Methoxy4amino5chloroN,Ndimethylaminoethyl)benzamide",AKOS015890642,A823256,4-amino-5-chloro-N-(2-diethylaminoethy
l)-2-methoxy-benzamide,4amino5chloroN(2diethylaminoethyl)2methoxybenzamide,"Metoclopramide hydrochloride",7232-21-5,7232215,Maxolon,"METOCLOPRAMIDE HCL",Meto,S4289,SAM002554911,1500410,Prestw-209,"Met
oclopraMide HCl",CPD000058471,"METOCLOPRAMIDE HYDROCHLORIDE","Metoclopramide monohydrochloride"}

> <pdid>
PD001072

> <targets>
{"Dopamine Receptor"}

> <classes>
{antiemetic,"Neuronal Signaling"}

> <pubchem_cids>
{657384,23659}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  1  0            999 V2000
    6.9481    1.3461    0.0000 Na  0  3
    3.8780   -3.8845    0.0000 C   0  0
    2.4294   -3.4952    0.0000 O   0  0
    2.0479   -2.0470    0.0000 C   0  0  2  0  0  0
    3.1019   -0.9836    0.0000 N   0  0
    4.5551   -1.3587    0.0000 C   0  0
    4.9562   -2.8040    0.0000 O   0  0
    5.6072   -0.2883    0.0000 C   0  0
    7.0604   -0.6634    0.0000 S   0  0
    8.1125    0.4069    0.0000 C   0  0
    9.5657    0.0319    0.0000 C   0  0
   11.0181   -0.3429    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  5
   -3.8983   -0.7459    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 S   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.2447    3.1359    0.0000 N   0  0
   -6.2484    4.2507    0.0000 N   0  0
   -5.4984    5.5497    0.0000 N   0  0
   -4.0312    5.2378    0.0000 N   0  0
   -2.9105    6.2349    0.0000 C   0  0
  2  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  3  0
  4 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 13  1  0
 18 19  1  0
 19  4  1  0
 19 20  2  0
 17 21  1  0
 21 22  1  0
 21 23  2  0
 16 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  1  0
 30 31  1  0
M  CHG  2   1   1  22  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11481

> <plate>
PLATE 007

> <well>
E11

> <supplier_cmpd_name>
Cefmetazole sodium

> <ctcr_id>
3432

> <supplier_cmpd_id>
T1070

> <smiles>
[Na+].CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(=C(N2C1=O)C([O-])=O)CSc3nnnn3C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW70,"CEFMETAZOLE SODIUM",56796-39-5,56796395,Zefazone,"CEFMETAZOLE SODIUM SALT",Cefmetazon,"CMZ sodium","CS 1170 sodium","SKF 83088 sodium","Cefmetazole (sodium)",cefmetazone,UNII-37Y9VR4W7A,UNII
37Y9VR4W7A,CHEBI:3490,Metafar,37Y9VR4W7A,MFCD00214260,U-72791A,U72791A,DSSTox_CID_255,DSSToxCID255,DSSTox-CID-255,"DSSTox CID 255",T1070,Prestw-700,"Cefmetazole sodium","Cefmetazole sodium salt"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{101926636,23666711}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 41  0  0  0  0            999 V2000
   13.9479   -7.6018    0.0000 H   0  3
   11.4479   -7.6018    0.0000 Cl  0  5
    8.9477  -16.7029    0.0000 C   0  0
    8.4765  -15.2788    0.0000 C   0  0
    7.0070  -14.9737    0.0000 C   0  0
    6.5356  -13.5488    0.0000 C   0  0
    5.0662  -13.2437    0.0000 N   0  0
    4.0652  -14.3620    0.0000 C   0  0
    2.5961  -14.0552    0.0000 C   0  0
    1.5951  -15.1735    0.0000 C   0  0
    0.1268  -14.8669    0.0000 C   0  0
    4.5948  -11.8188    0.0000 C   0  0
    3.1253  -11.5137    0.0000 C   0  0
    2.6539  -10.0888    0.0000 C   0  0
    1.1844   -9.7837    0.0000 O   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    6.3090   -5.7131    0.0000 C   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 S   0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -5.1996    1.4928    0.0000 O   0  0
   -5.1966   -0.0070    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  7 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 25 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 36 39  2  0
 34 40  1  0
 40 41  2  0
 41 24  1  0
 41 31  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11482

> <plate>
PLATE 007

> <well>
F2

> <supplier_cmpd_name>
Dronedarone hydrochloride

> <ctcr_id>
2252

> <supplier_cmpd_id>
T1073

> <smiles>
[H+].[Cl-].CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c2c(CCCC)oc3ccc(N[S](C)(=O)=O)cc23

> <pd_targets>
{REP,KCNH2,ABCB11,KCNA5,CACNA1C,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,KCNK2,SCN5A,KCNJ3,KCNQ1,KCNJ12,KCNJ14,KCNJ2,KCNJ4,SLC8A1,KCND3,THRA,
HCN4,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN7A,SCN8A,SCN9A}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transporter,"Membrane receptor","Auxiliary transport protein","Transcription factor",Transferase,"Voltage-gated ion channel","Primary active transporter","Family A G protein-coup
led receptor","Calcium channel auxiliary subunit beta family","Electrochemical transporter","Nuclear receptor","Potassium channels","ATP-binding cassette","Voltage-gated calcium channel","Small molecu
le receptor (family A GPCR)","Voltage-gated sodium channel","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1","Cyclic nucleotide-regulated channel","Voltage-gated potassium c
hannel","ABCB subfamily","Monoamine receptor","Two-pore domain potassium channel","Inwardly rectifying potassium channel","SLC08 family of sodium/calcium exchangers","Nuclear hormone receptor subfamil
y 1 group A","Adrenergic receptor","Nuclear hormone receptor subfamily 1 group A member 1"}

> <pathway_chembl>
{"Other protein targets","Ion channels",Transporters,Receptors,"Anti-infective targets","Voltage-gated ion channels","ATP-binding cassette transporter family","G protein-coupled receptors","SLC superf
amily of solute carriers","Nuclear hormone receptors","Viral protein targets","Potassium channels","ABCB subfamily","Voltage-gated calcium channels",Adrenoceptors,"Voltage-gated sodium channels","SLC8
 family of sodium/calcium exchangers","1A. Thyroid hormone receptors","Cyclic nucleotide-regulated channels","Coronavirus (CoV) proteins","Voltage-gated potassium channels","Two P domain potassium cha
nnels","Inwardly rectifying potassium channels"}

> <pathway_reactome>
{Disease,"Muscle contraction",Metabolism,"Neuronal System","Developmental Biology","Signal Transduction",Hemostasis,"Metabolism of proteins","Infectious disease","Cardiac conduction","Metabolism of li
pids","Potassium Channels","Nervous system development","Signaling by GPCR","Transmission across Chemical Synapses","Platelet homeostasis","Post-translational protein modification","SARS-CoV Infection
s","Phase 3 - rapid repolarisation","Metabolism of steroids","Voltage gated Potassium channels","Axon guidance","GPCR ligand binding","Leishmania infection","Tandem pore domain potassium channels","Ne
urotransmitter receptors and postsynaptic signal transmission","Phase 2 - plateau phase","Platelet calcium homeostasis","Phase 1 - inactivation of fast Na+ channels",SUMOylation,"HCN channels","SARS-C
oV-2 Infection","Bile acid and bile salt metabolism","NCAM signaling for neurite out-growth","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","TWIK related potassium ch
annel (TREK)","L1CAM interactions","GABA receptor activation","Reduction of cytosolic Ca++ levels","SUMO E3 ligases SUMOylate target proteins","SARS-CoV-2 Genome Replication and Transcription","Synthe
sis of bile acids and bile salts","NCAM1 interactions","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Interaction between L1 and Ankyrins","GABA
 B receptor activation","SUMOylation of intracellular receptors","Replication of the SARS-CoV-2 genome","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol",Adrenoceptors,"ADORA2B me
diated anti-inflammatory cytokines production","Activation of GABAB receptors","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,KCNA5,KCNH2,KCNK2,SCN1A}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{SCHEMBL22527644,AKOS015896704,A807785,"Dronedarone hydrochloride",141625-93-6,141625936,"141625 93 6","Dronedarone HCl","Dronedarone (Hydrochloride)",UNII-FA36DV299Q,UNIIFA36DV299Q,"UNII FA36DV299Q",
"Dronedarone HCl (Multaq)",FA36DV299Q,T1073,T7056,S2114,Dronedarone}

> <pdid>
PD009359

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{46863909,219025}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 21  0  0  0  0            999 V2000
   15.3982   -1.1283    0.0000 O   0  0
    3.8926   -3.7566    0.0000 N   0  3
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.2982    0.7467    0.0000 O   0  0
   10.2982   -0.7533    0.0000 C   0  0
    8.9982   -1.5033    0.0000 C   0  0
    8.9982   -3.0033    0.0000 O   0  0
    7.6982   -0.7533    0.0000 C   0  0
    7.6982    0.7467    0.0000 O   0  5
    6.3990   -1.5029    0.0000 O   0  0
   11.5982   -1.5033    0.0000 C   0  0
   11.5982   -3.0033    0.0000 O   0  0
   12.8975   -0.7537    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 15 21  1  0
 21 22  1  0
 21 23  2  0
M  CHG  2   2   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11483

> <plate>
PLATE 007

> <well>
F3

> <supplier_cmpd_name>
Noradrenaline bitartrate monohydrate

> <ctcr_id>
2262

> <supplier_cmpd_id>
T1064

> <smiles>
O.[NH3+]CC(O)c1ccc(O)c(O)c1.OC(C(O)C([O-])=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"(-)-Noradrenaline bitartrate","()Noradrenaline bitartrate",108341-18-0,108341180,"Noradrenaline bitartrate monohydrate",339091-66-6,339091666,"Norepinephrine bitartrate monohydrate","L-Noradrenaline
 hydrogen L-tartrate monohydrate","LNoradrenaline hydrogen Ltartrate monohydrate",HMS3372I07,34888-32-9,34888329,BCP13658,AKOS030228572,AS-58301,AS58301,DB-068904,DB068904,F,S2615}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{517292,53399078}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 N   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  3  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11484

> <plate>
PLATE 007

> <well>
F4

> <supplier_cmpd_name>
Baclofen

> <ctcr_id>
5856

> <supplier_cmpd_id>
T1065

> <smiles>
NCC(CC(O)=O)c1ccc(Cl)cc1

> <pd_targets>
{GABBR1,GABBR2,KCTD12,KCTD16,KCTD8,NFKB1,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,BLM,LMNA,CYP3A4,CYP2C9,CYP2D6,CYP2C19,CYP1A2,KMT2A,
MEN1,TSHR,THRB}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein","Ion channel",Enzyme,"Other nuclear protein","Family C G protein-coupled receptor","Ligand-gated ion channel","Cytochrome P450","Small molecule receptor 
(family C GPCR)","GABA-A receptor","Cytochrome P450 family 3","Neurotransmitter receptor (family C GPCR)","Cytochrome P450 family 3A","GABA-B receptor","Cytochrome P450 3A4","Cytochrome P450 family 2"
,"Cytochrome P450 family 1","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 2C9","Cytochrome P450 2D6","Cytochrome P450 2C19","Cytochrome P450 1A1"
,"Epigenetic regulator","Transcription factor",Reader,"Family A G protein-coupled receptor","Nuclear receptor",Bromodomain,"Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Gl
ycohormone receptor","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","GABA<sub>B</sub> receptors","CYP3 family","CYP2 family: drug metabolising subset","CYP1 family","Nuclear hormone receptors","Glycopr
otein hormone receptors","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{"Immune System","DNA Repair","Cell Cycle",Metabolism,"Neuronal System","Cytokine Signaling in Immune system","DNA Double-Strand Break Repair",Mitotic,"Metabolism of lipids","Transmission across Chemi
cal Synapses","Signaling by Interleukins","Homology Directed Repair","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmiss
ion","Interleukin-1 family signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","GABA receptor a
ctivation","Interleukin-1 signaling","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Biosynthesis of maresins","GABA B receptor activation","MAP3K8 (TPL2)-dependent MAPK1/3 activation
","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Activation of GABAB receptors","Presynaptic phase of homologous DNA pairing and s
trand exchange","Initiation of Nuclear Envelope (NE) Reformation","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Biological oxidations","Phase I - Functionalization of compound
s","Cytochrome P450 - arranged by substrate type",Xenobiotics,"CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2",Disease,"Metabolism of proteins","Infectious disease
","Post-translational protein modification","Leishmania infection",SUMOylation,"Leishmania parasite growth and survival","SUMO E3 ligases SUMOylate target proteins","Anti-inflammatory response favouri
ng Leishmania parasite infection","SUMOylation of intracellular receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{GABBR1,GABBR2,KCTD12,KCTD16,KCTD8}

> <broad_moa>
{"benzodiazepine receptor agonist"}

> <synonyms>
{RESTW8,baclofen,1134-47-0,1134470,Lioresal,"4-Amino-3-(4-chlorophenyl)butanoic acid","4Amino3(4chlorophenyl)butanoic acid",Baclon,DL-Baclofen,DLBaclofen,Kemstro,(+-)-Baclofen,(+)Baclofen,Gabalon,"4-A
mino-3-(4-chlorophenyl)butyric acid","4Amino3(4chlorophenyl)butyric acid",Baclofene,Baclofeno,Baclofenum,beta-(4-Chlorophenyl)gaba,beta(4Chlorophenyl)gaba,(RS)-BACLOFEN,(RS)BACLOFEN,"Ciba 34",647-B,64
7B,T1065,T6355,1500135,Prestw-85,Baclofen,(R)-baclofen,BACLOFEN,"Baclofen (R,S)"}

> <pdid>
PD002799

> <targets>
{}

> <classes>
{"muscle relaxant (skeletal)"}

> <pubchem_cids>
{2284}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 S   0  0
   -2.6017    2.9971    0.0000 O   0  0
   -1.3015    2.2494    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6076    5.9975    0.0000 C   0  0
   -2.6107    7.4975    0.0000 C   0  0
   -1.3132    8.2502    0.0000 C   0  0
   -1.3163    9.7502    0.0000 N   0  0
   -0.0126    7.5029    0.0000 C   0  0
   -0.0095    6.0029    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  5 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  2  0
 21  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11485

> <plate>
PLATE 007

> <well>
F5

> <supplier_cmpd_name>
Sulfadimethoxine

> <ctcr_id>
607

> <supplier_cmpd_id>
T1078

> <smiles>
COc1cc(N[S](=O)(=O)c2ccc(N)cc2)nc(OC)n1

> <pd_targets>
{LMNA,CYP3A4,LEF,HTR6,FOLP}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Membrane receptor","Cytochrome P450",Protease,"Family A G protein-coupled receptor",Transferase,"Cytochrome P450 family 3","Cysteine protease","Metallo protease","Smal
l molecule receptor (family A GPCR)","Cytochrome P450 family 3A","Cysteine protease CA clan","Metallo protease MAE clan","Monoamine receptor","Cytochrome P450 3A4","Cysteine protease C1A family","Meta
llo protease M34 family","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP3 family","5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,Mitotic,"Metabolism of lipids","Infectious disease","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and actions of bacterial toxins","Lei
shmania infection","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Uptake and function of anthrax toxins","Leishmania parasite growth and survival","Mitotic Anaphase","Biosynthesi
s of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines
 production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"dihydropteroate synthetase inhibitor"}

> <synonyms>
{RESTW72,sulfadimethoxine,Sulphadimethoxine,122-11-2,122112,Sulfadimethoxin,Sulfadimethoxydiazine,Sulfadimetoxin,Albon,"4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide","4aminoN(2,6dimethoxy
pyrimidin4yl)benzenesulfonamide",Dimetazina,Sulfadimetoxina,Agribon,Deposul,Madribon,4-Amino-N-(2,4AminoN(2,6-dimethoxy-4-p,6dimethoxy4p,T1078,1501144,Prestw-728,Sulfadimethoxine,SULFADIMETHOXINE}

> <pdid>
PD001499

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5323}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    1.6317   -2.2458    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -1.6281   -2.2462    0.0000 C   0  0
   -1.0157   -3.6164    0.0000 C   0  0
   -1.8949   -4.8318    0.0000 O   0  0
   -2.6375    0.8602    0.0000 N   0  3
   -3.7540   -0.1415    0.0000 O   0  5
   -2.9472    2.3279    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 10 12  2  0
M  CHG  2  10   1  11  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11486

> <plate>
PLATE 007

> <well>
F6

> <supplier_cmpd_name>
Metronidazole

> <ctcr_id>
2665

> <supplier_cmpd_id>
T1079

> <smiles>
Cc1ncc(n1CCO)[N+]([O-])=O

> <pd_targets>
{LMNA,ALDH1A1,THRB,MAPK1,TSHR,RDXA}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Transcription factor","Membrane receptor",Oxidoreductase,"Nuclear receptor",Kinase,"Family A G protein-coupled receptor","Nuclear hormone receptor subfamily 1","Protei
n Kinase","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group A","CMGC protein kinase group","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group A member 2",
"CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","G protein-coupled receptors","1A. Thyroid hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Glycoprotein hormon
e receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Metabolism of proteins","Immune System",Disease,Mitotic,"Biological oxidations","Post-translational protein modification","Innate Immune System","Infectious disease","M Phase
","Phase I - Functionalization of compounds",SUMOylation,"Toll-like Receptor Cascades","Leishmania infection","Mitotic Metaphase and Anaphase","Ethanol oxidation","SUMO E3 ligases SUMOylate target pro
teins","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Mitotic Anaphase","SUMOylation of intracellular receptors","MyD88 cascade initiated on plasma membrane","Anti-in
flammatory response favouring Leishmania parasite infection","Nuclear Envelope (NE) Reassembly","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear
 Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CYP2C9,CYP3A4}

> <broad_moa>
{"DNA inhibitor"}

> <synonyms>
{metronidazole,443-48-1,443481,Flagyl,Metronidazol,2-Methyl-5-nitroimidazole-1-ethanol,2Methyl5nitroimidazole1ethanol,Anagiardil,Trichazol,MetroGel,"Bayer 5360",Gineflavir,Meronidal,Metronidaz,Novonid
azol,Trichopol,Trivazol,Danizol,Mexibol,Vagilen,Clont,2-(2-Methyl-5-nitro-1H-imi,2(2Methyl5nitro1Himi,T1079,SAM001247010,1500412,Prestw-81,Metronidazole,CPD000058175,METRONIDAZOLE}

> <pdid>
PD001853

> <targets>
{Antibiotic,Apoptosis,Bacterial,Parasite}

> <classes>
{antiprotozoal,Anti-infection,Apoptosis}

> <pubchem_cids>
{4173}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 90 90  0  0  0  0            999 V2000
  -24.9087    6.1649    0.0000 C   0  0
  -23.5000    6.6799    0.0000 C   0  0
  -22.3482    5.7176    0.0000 C   0  0
  -22.6061    4.2400    0.0000 C   0  0
  -20.9387    6.2330    0.0000 C   0  0
  -19.7870    5.2707    0.0000 C   0  0
  -18.3774    5.7861    0.0000 C   0  0
  -17.2257    4.8237    0.0000 C   0  0
  -15.8161    5.3391    0.0000 C   0  0
  -15.5583    6.8168    0.0000 O   0  0
  -14.6644    4.3768    0.0000 N   0  0
  -13.2549    4.8922    0.0000 C   0  0
  -12.9999    6.3712    0.0000 C   0  0
  -14.1527    7.3322    0.0000 C   0  0
  -13.8979    8.8104    0.0000 N   0  0
  -12.1031    3.9299    0.0000 C   0  0
  -12.3610    2.4522    0.0000 O   0  0
  -10.6936    4.4452    0.0000 N   0  0
   -9.5419    3.4829    0.0000 C   0  0
   -9.8029    2.0050    0.0000 C   0  0
   -8.6538    1.0408    0.0000 C   0  0
  -11.2123    1.4914    0.0000 O   0  0
   -8.1323    3.9983    0.0000 C   0  0
   -7.8744    5.4760    0.0000 O   0  0
   -6.9806    3.0360    0.0000 N   0  0
   -5.5710    3.5513    0.0000 C   0  0
   -5.3161    5.0304    0.0000 C   0  0
   -6.4688    5.9914    0.0000 C   0  0
   -6.2140    7.4696    0.0000 N   0  0
   -4.4193    2.5890    0.0000 C   0  0
   -4.6772    1.1114    0.0000 O   0  0
   -3.0097    3.1044    0.0000 N   0  0
   -1.8663    2.1490    0.0000 C   0  0
   -1.8346    0.1643    0.0000 C   0  0
   -2.7988   -0.9847    0.0000 C   0  0
   -2.2850   -2.3949    0.0000 N   0  0
   -0.8071   -2.6560    0.0000 C   0  0
    0.1571   -1.5069    0.0000 O   0  0
   -0.2933   -4.0661    0.0000 C   0  0
    1.1846   -4.3272    0.0000 N   0  0
    1.6984   -5.7374    0.0000 C   0  0
    0.7342   -6.8865    0.0000 O   0  0
    3.1764   -5.9985    0.0000 C   0  0
    3.6925   -7.4078    0.0000 C   0  0
    5.1709   -7.6663    0.0000 C   0  0
    5.6869   -9.0748    0.0000 N   0  0
    4.1405   -4.8494    0.0000 N   0  0
    5.6185   -5.1105    0.0000 C   0  0
    6.1313   -6.5201    0.0000 O   0  0
    6.5827   -3.9614    0.0000 C   0  0
    8.0612   -4.2190    0.0000 C   0  0
    9.0243   -3.0679    0.0000 C   0  0
   10.5020   -3.3254    0.0000 N   0  0
    6.0689   -2.5513    0.0000 N   0  0
    7.0331   -1.4022    0.0000 C   0  0
    8.5103   -1.6625    0.0000 O   0  0
    6.5193    0.0079    0.0000 C   0  0
    5.2211    0.7610    0.0000 C   0  0
    3.9193    0.0141    0.0000 C   0  0
    2.6218    0.7667    0.0000 C   0  0
    3.9158   -1.4859    0.0000 C   0  0
    7.4835    1.1570    0.0000 N   0  0
    6.9697    2.5672    0.0000 C   0  0
    7.9339    3.7162    0.0000 O   0  0
    5.4918    2.8282    0.0000 C   0  0
    4.0132    2.5707    0.0000 C   0  0
    3.0501    3.7217    0.0000 C   0  0
    2.0819    2.5761    0.0000 C   0  0
    0.6056    2.8416    0.0000 C   0  0
    0.0974    4.2529    0.0000 C   0  0
    1.0656    5.3987    0.0000 C   0  0
    2.5419    5.1331    0.0000 C   0  0
    4.9780    4.2384    0.0000 N   0  0
    3.5001    4.4995    0.0000 C   0  0
    2.9873    5.9091    0.0000 O   0  0
    2.5359    3.3504    0.0000 C   0  0
    3.0463    1.9391    0.0000 C   0  0
    2.0799    0.7907    0.0000 C   0  0
    2.5900   -0.6199    0.0000 N   0  0
    1.0579    3.6115    0.0000 N   0  0
    0.0938    2.4625    0.0000 C   0  0
    0.8334    1.1575    0.0000 O   0  0
   -1.2557   -5.2178    0.0000 C   0  0
   -2.7333   -4.9599    0.0000 C   0  0
   -0.7406   -6.6266    0.0000 O   0  0
   16.8013   -1.3675    0.0000 O   0  0
   16.8013   -2.8675    0.0000 S   0  0
   16.8013   -4.3675    0.0000 O   0  0
   15.5020   -3.6171    0.0000 O   0  0
   18.1005   -3.6171    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 12 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 19 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 26 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 43 47  1  0
 47 48  1  0
 48 49  2  0
 48 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 50 54  1  0
 54 55  1  0
 55 56  2  0
 55 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 59 61  1  0
 57 62  1  0
 62 63  1  0
 63 64  2  0
 63 65  1  0
 65 66  1  0
 66 67  1  0
 67 68  2  0
 68 69  1  0
 69 70  2  0
 70 71  1  0
 71 72  2  0
 72 67  1  0
 65 73  1  0
 73 74  1  0
 74 75  2  0
 74 76  1  0
 76 77  1  0
 77 78  1  0
 78 79  1  0
 76 80  1  0
 80 81  1  0
 81 33  1  0
 81 82  2  0
 39 83  1  0
 83 84  1  0
 83 85  1  0
 86 87  1  0
 87 88  1  0
 87 89  2  0
 87 90  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11487

> <plate>
PLATE 007

> <well>
F7

> <supplier_cmpd_name>
Polymyxin B sulfate

> <ctcr_id>
3717

> <supplier_cmpd_id>
T1100

> <smiles>
CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O.O[S](O)(=O)=O

> <pd_targets>
{P2RX7,TLR4}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Ligand-gated ion channel",Hydrolase,"P2X receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,"Ligand-gated ion channels","Catalytic receptors","P2X receptors","Pattern recognition receptors","Toll-like receptor family"}

> <pathway_reactome>
{Disease,"Immune System","Infectious disease","Innate Immune System","Leishmania infection","Toll-like Receptor Cascades","Cell recruitment (pro-inflammatory response)","Toll Like Receptor 4 (TLR4) Ca
scade","Purinergic signaling in leishmaniasis infection","MyD88-independent TLR4 cascade","TRIF(TICAM1)-mediated TLR4 signaling","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial permeability inducer"}

> <synonyms>
{"Polymyxin B sulfate","Polymyxin B sulphate",Aerosporin,1405-20-5,1405205,MFCD00131991,"Polymyxin B sulfate salt","Polymixin B sulfate salt",SR-05000002074,SR05000002074,"sufuric acid",KS-1428,KS1428
,NCGC00094763-01,NCGC0009476301,"Polymyxin B solution",SPECTRUM1500492,Polymy,T1100,1500492,"POLYMYXIN B SULFATE"}

> <pdid>
PD009723

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5702105}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 35  0  0  0  0            999 V2000
   -0.0296    7.4961    0.0000 C   0  0
   -0.0240    5.9961    0.0000 C   0  0
    1.2780    5.2497    0.0000 N   0  0
    2.5768    6.0019    0.0000 C   0  0
    3.8773    5.2545    0.0000 C   0  0
    1.2837    3.7489    0.0000 C   0  0
    2.5857    3.0025    0.0000 C   0  0
    2.5914    1.5017    0.0000 O   0  0
    3.8934    0.7553    0.0000 C   0  0
    5.1899    1.5098    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.2003   -1.4933    0.0000 C   0  0
    6.4990   -0.7411    0.0000 C   0  0
    7.8525   -1.3575    0.0000 C   0  0
    8.8524   -0.2394    0.0000 C   0  0
    8.0980    1.0571    0.0000 C   0  0
    6.6318    0.7402    0.0000 O   0  0
    2.6003   -1.4978    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   12.6524    3.7484    0.0000 O   0  0
   12.6524    2.2484    0.0000 C   0  0
   11.3531    1.4989    0.0000 O   0  0
   13.9524    1.4984    0.0000 C   0  0
   13.9524   -0.0016    0.0000 O   0  0
   15.2516    2.2480    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  1  0
 11 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 19  1  0
 28 23  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11488

> <plate>
PLATE 007

> <well>
F8

> <supplier_cmpd_name>
Nafronyl oxalate

> <ctcr_id>
1729

> <supplier_cmpd_id>
T1081

> <smiles>
CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23.OC(=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW37,Dubimax,Dusodril,Gevatran,Praxilene,Iridus,"Nafronyl oxalate (USAN)","LS 121",EU-1806,EU1806,UNII-5ADB8D9388,UNII5ADB8D9388,5ADB8D9388,"Nafronyl acid oxalate","Naphtidrofuryl oxalate",LS-121,
LS121,"EINECS 221-703-0","EINECS 2217030","NSC 225233",MCULE-2856913118,MCULE2856913118,"Nafronyl oxalate",3200-06,320006,T1081,1503419,Prestw-377,"NAFRONYL OXALATE"}

> <pdid>

> <targets>
{}

> <classes>
{vasodilator}

> <pubchem_cids>
{18542,312915}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  2  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11489

> <plate>
PLATE 007

> <well>
F9

> <supplier_cmpd_name>
Theophylline

> <ctcr_id>
5893

> <supplier_cmpd_id>
T1083

> <smiles>
CN1C(=O)N(C)c2[nH]cnc2C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{theophylline,58-55-9,58559,"1,3-Dimethylxanthine","1,3Dimethylxanthine",Theophyllin,Elixophyllin,Theolair,Nuelin,"Theophylline anhydrous",Respbid,Theocin,Theo-dur,Theodur,Elixophylline,Pseudotheophyl
line,Lanophyllin,Theovent,Uniphyl,Slo-phyllin,Slophyllin,Accurbron,Armophylline,Bronkodyl,SAM002554935,1500568,CPD000058537,THEOPHYLLINE}

> <pdid>

> <targets>
{}

> <classes>
{bronchodilator}

> <pubchem_cids>
{2153}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 40  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0  1  0  0  0
   -1.2960    5.2508    0.0000 O   0  0
    0.0048    5.9994    0.0000 C   0  0  2  0  0  0
    0.0101    7.4994    0.0000 C   0  0  1  0  0  0
   -1.2863    8.2539    0.0000 N   0  0
    1.3117    8.2449    0.0000 C   0  0
    2.6082    7.4905    0.0000 C   0  0  1  0  0  0
    3.9098    8.2360    0.0000 N   0  0
    2.6030    5.9905    0.0000 C   0  0  2  0  0  0
    3.8994    5.2360    0.0000 O   0  0
    1.3014    5.2450    0.0000 C   0  0  1  0  0  0
    1.2962    3.7450    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0  2  0  0  0
   -3.8971    3.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0  1  0  0  0
   -2.6004   -2.9949    0.0000 O   0  0
   -3.9021   -3.7405    0.0000 C   0  0  2  0  0  0
   -5.1977   -2.9829    0.0000 C   0  0
   -5.1903   -1.4829    0.0000 O   0  0
   -3.9072   -5.2404    0.0000 C   0  0  1  0  0  0
   -5.2088   -5.9860    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0  2  0  0  0
   -2.6160   -7.4949    0.0000 O   0  0
   -1.3092   -5.2494    0.0000 C   0  0  1  0  0  0
   -0.0127   -6.0039    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  1  6
 10  9  1  6
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  1  6
 16 18  1  0
 18 10  1  0
 18 19  1  1
  8 20  1  0
 20 21  1  1
 20 22  1  0
 23 22  1  1
 23  6  1  0
 23 24  1  0
 24 25  1  0
 25  3  1  0
 25 26  1  1
 27 26  1  6
 27 28  1  0
 28 29  1  0
 29 30  1  1
 30 31  1  0
 29 32  1  0
 32 33  1  6
 32 34  1  0
 34 35  1  1
 34 36  1  0
 36 27  1  0
 36 37  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11490

> <plate>
PLATE 007

> <well>
F10

> <supplier_cmpd_name>
Apramycin sulfate

> <ctcr_id>
4822

> <supplier_cmpd_id>
T1084

> <smiles>
CN[C@H]1[C@@H](O)[C@H]2O[C@@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"bacterial 30S ribosomal subunit inhibitor"}

> <synonyms>
{SR-05000001656,SR05000001656,37321-09-8,37321098,Spectrum2_000834,Spectrum2000834,Spectrum2-000834,"Spectrum2 000834",Spectrum3_001077,Spectrum3001077,Spectrum3-001077,"Spectrum3 001077",Spectrum4_00
1226,Spectrum4001226,Spectrum4-001226,"Spectrum4 001226",Spectrum5_001661,Spectrum5001661,Spectrum5-001661,"Spectrum5 001661",BSPBio_002694,BSPBio002694,BSPBio-002694,"BSPBio 002694",KBioGR_001692,KBi
oGR001692,KBioGR-001692,"KBioGR 001692",SPECTRUM1505249,SPBio_000787,SPBio000787,SPBio-000787,"SPBio 000787",CHEMBL492574,KBio3_001914,KBio3001914,KBio3-001914,"KBio3 001914",HMS1922P03,HMS2093M20,Pha
rmakon1600-01505249,Pharmakon160001505249,CCG-40293,CCG40293,NSC758938,NSC,T1084,1505249,"Apramycin sulfate",APRAMYCIN}

> <pdid>
PD005954

> <targets>
{}

> <classes>
{"antibacterial; LD50(iv) 280mg/kg(mouse)"}

> <pubchem_cids>
{6710735}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 19  0  0  1  0            999 V2000
   12.9999   -1.5000    0.0000 N   0  0
   12.9999    0.0000    0.0000 C   0  0  1  0  0  0
   11.6999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
    9.0999    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 N   0  0
    6.5000    0.7500    0.0000 C   0  0  1  0  0  0
    6.5030    2.2508    0.0000 C   0  0
    7.8031    2.9990    0.0000 S   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 N   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
   14.2999    0.7500    0.0000 C   0  0
   14.2999    2.2500    0.0000 O   0  0
   15.5992    0.0004    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
  2 18  1  0
 18 19  1  0
 18 20  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11491

> <plate>
PLATE 007

> <well>
F11

> <supplier_cmpd_name>
Glutathione

> <ctcr_id>
4935

> <supplier_cmpd_id>
T1085

> <smiles>
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O

> <pd_targets>
{GSTK1,GPX4,GPX6,GPX7,GPX1,GPX2,GPX5,GPX3}

> <pathway_gtopdb>
{Enzyme,Transferase,Oxidoreductase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Gene expression (Transcription)","Biological oxidations","Metabolism of lipids","Cellular responses to stress","RNA Polymerase II Transcription","
Phase II - Conjugation of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Detoxification of Reactive Oxygen Species","Fatty acid metabolism","Generic Transcription Pathway","Gl
utathione conjugation","Biosynthesis of DHA-derived SPMs","Arachidonic acid metabolism","Transcriptional Regulation by TP53","Biosynthesis of aspirin-triggered D-series resolvins","Synthesis of 12-eic
osatetraenoic acid derivatives","TP53 Regulates Metabolic Genes"}

> <broad_targets>
{ESD,GGT1,GLO1,GLRX,GLRX2,GPX1,GPX2,GPX3,GPX4,GPX5,GPX6,GPX7,GPX8,GSR,GSS,GSTA1,GSTA2,GSTA3,GSTA4,GSTA5,GSTK1,GSTM1,GSTM2,GSTM3,GSTM4,GSTM5,GSTO1,GSTO2,GSTP1,GSTT1,GSTZ1,HAGH,HPGDS,LTC4S,MGST1,MGST2,M
GST3,TXNDC12}

> <broad_moa>
{antioxidant}

> <synonyms>
{"L-Glutathione (reduced form)","LGlutathione (reduced form)",glutathione,70-18-8,70188,L-Glutathione,LGlutathione,Glutathion,Isethion,Tathion,"reduced glutathione",Glutathione-SH,GlutathioneSH,"L-Glu
tathione reduced","LGlutathione reduced",Glutinal,Deltathione,Neuthion,Copren,Glutide,Tathione,Triptide,Ledac,GSH,Glutatione,Gluta,T1085,1502248,Glutathione,GLUTATHIONE}

> <pdid>
PD001337

> <targets>
{}

> <classes>
{antioxidant}

> <pubchem_cids>
{25246407,124886}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.2703   -4.0022    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0
   -0.6870   -2.7320    0.0000 O   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.2584   -6.9323    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  0
 14 16  1  0
 16  5  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21  4  1  0
 21 22  1  0
 21 23  1  0
 23  2  1  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11492

> <plate>
PLATE 007

> <well>
G2

> <supplier_cmpd_name>
Dexamethasone (DHAP)

> <ctcr_id>
824

> <supplier_cmpd_id>
T1076

> <smiles>
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO

> <pd_targets>
{PLA2G5,CYP3A4,PGR,NR1I2,NR3C1,NR3C2,FABP1,AR,PLA2G1B,TSHR,PTGS2,NR0B1,ANXA1,NOS2,ABCB11,HIF1A,GAA,RORC,DUSP6}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Auxiliary transport protein","Membrane receptor","Ion channel",Hydrolase,"Cytochrome P450","Nuclear receptor","Fatty acid binding protein family","Family A G protein-co
upled receptor",Oxidoreductase,"Other ion channel","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Nuclear 
hormone receptor subfamily 0",Annexin,"Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group I","Glycohormone receptor","Nuclear hormone
 receptor subfamily 0 group B","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone receptor subfamily
 3 group C member 1","Nuclear hormone receptor subfamily 3 group C member 2","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 0 group B member 1",Transporter
,"Primary active transporter",Phosphatase,"ATP-binding cassette","Protein Phosphatase","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F","Serine/threonine/tyrosine protein phosphatase","
Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Glycerophospholipid turnover","Cytochrome P450","Nuclear hormone receptors","Fatty acid-binding proteins","G protein-coupled receptors","Eicosanoid turnover
","L-Arginine turnover","Phospholipase A<sub>2</sub>","CYP3 family","1I. Vitamin D receptor-like receptors","Steroid hormone receptors","Glycoprotein hormone receptors",Cyclooxygenase,"0B. DAX-like re
ceptors","Nitric oxide synthases","3C. 3-Ketosteroid receptors",Transporters,"ATP-binding cassette transporter family","3.2.1.- Glycosidases","ABCB subfamily","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Gene expression (Transcription)",Disease,"Signal Transduction","Metabolism of lipids","Post-translational protein modification","RNA Polymerase II Transcription",
"Infectious disease","Signaling by GPCR","Phospholipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"Generic Transcription Pathway","Regulation of lipid metaboli
sm by PPARalpha","Leishmania infection","GPCR ligand binding","Infection with Mycobacterium tuberculosis","Glycerophospholipid biosynthesis","Biosynthesis of DHA-derived SPMs","SUMO E3 ligases SUMOyla
te target proteins","FOXO-mediated transcription","PPARA activates gene expression","Transcriptional regulation by RUNX2","Leishmania parasite growth and survival","Biosynthesis of DPA-derived SPMs","
Nuclear Receptor transcription pathway","Class A/1 (Rhodopsin-like receptors)","Response of Mtb to phagocytosis","Acyl chain remodelling of PC","Biosynthesis of maresins","SUMOylation of intracellular
 receptors","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","RUNX2 regulates bone development","Anti-inflammatory response favouring Leishmania parasite infection","Bi
osynthesis of DPAn-3 SPMs","Peptide ligand-binding receptors","Suppression of phagosomal maturation","Biosynthesis of maresin-like SPMs","RUNX2 regulates osteoblast differentiation","ADORA2B mediated 
anti-inflammatory cytokines production","Formyl peptide receptors bind formyl peptides and many other ligands","Inhibition of nitric oxide production","Cellular responses to external stimuli","Immune 
System","Cellular responses to stress","Diseases of metabolism","Innate Immune System","Metabolism of steroids","Cellular response to hypoxia","Diseases of carbohydrate metabolism","Toll-like Receptor
 Cascades","Bile acid and bile salt metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Glycogen storage diseases","Transcriptional regulation by RUNX3","Toll Like 
Receptor 5 (TLR5) Cascade","Synthesis of bile acids and bile salts","Glycogen storage disease type II (GAA)","RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma mem
brane","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ANXA1,NOS2,NR0B1,NR3C1,NR3C2}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{Hormezon,Valisone,"9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione","9Fluoro11,17,21trihydroxy16methylpregna1,4diene3,20dione",Celestone,Bebate,.beta.-Methasone,.beta.Methasone,".be
ta.-Methasone alcohol",".beta.Methasone alcohol",NSC39470,9-Fluoro-16.beta.-methylprednisolone,9Fluoro16.beta.methylprednisolone,"Prednisolone, 9-fluoro-16.beta.-methyl-","Prednisolone, 9fluoro16.beta
.methyl",GF12091,SAM002589959,S1322,CPD000339803,"Dexamethasone (DHAP)"}

> <pdid>
PD002388

> <targets>
{"IL Receptor",Autophagy}

> <classes>
{Others}

> <pubchem_cids>
{3003}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 29  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8999   -0.7576    0.0000 N   0  0
    5.1972   -1.5121    0.0000 O   0  0
    6.4998   -0.7667    0.0000 C   0  0
    7.7972   -1.5212    0.0000 C   0  0
    9.0991   -0.7761    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -2.5998    3.0004    0.0000 F   0  0
   -3.8976    0.7500    0.0000 F   0  0
   -3.8982    2.2498    0.0000 F   0  0
   12.8998   -0.7568    0.0000 O   0  0
   12.8998   -2.2568    0.0000 C   0  0
   11.6005   -3.0064    0.0000 O   0  0
   14.1998   -3.0068    0.0000 C   0  0
   15.4998   -2.2568    0.0000 C   0  0
   15.5012   -0.7560    0.0000 C   0  0
   14.2026   -0.0051    0.0000 O   0  0
   16.8005   -0.0064    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  7 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11493

> <plate>
PLATE 007

> <well>
G3

> <supplier_cmpd_name>
Fluvoxamine maleate

> <ctcr_id>
2189

> <supplier_cmpd_id>
T1077

> <smiles>
COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"FLUVOXAMINE MALEATE",Luvox,61718-82-9,61718829,"61718 82 9",Fevarin,"Luvox CR","Fluvoxamine (maleate)",DU23000,UNII-5LGN83G74V,UNII5LGN83G74V,"UNII 5LGN83G74V",5LGN83G74V,C19H25F3N2O6,54739-20-7,547
39207,"54739 20 7",DU-23000,"DU 23000",54739-18-3,54739183,T1077,S1336,1505604,Prestw-995,"Fluvoxamine maleate"}

> <pdid>

> <targets>
{5-HT Receptor,Serotonin Transporter}

> <classes>
{Neuronal Signaling,antiobsessional agent}

> <pubchem_cids>
{9560989}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
   -1.4188  -10.5751    0.0000 C   0  0
   -1.8661   -9.1434    0.0000 C   0  0
   -3.3298   -8.8154    0.0000 C   0  0
   -0.8500   -8.0388    0.0000 C   0  0
    0.6137   -8.3668    0.0000 C   0  0
   -1.2977   -6.6063    0.0000 C   0  0
   -0.2816   -5.5018    0.0000 C   0  0
   -0.7292   -4.0692    0.0000 C   0  0
   -2.1929   -3.7413    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2212   -2.3711    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    7.7905    3.0072    0.0000 O   0  0
    6.4914    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    3.8933    5.2570    0.0000 C   0  0
    2.5943    6.0070    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 10  1  0
 18 13  1  0
 18 19  1  0
 14 20  2  3
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 22  1  0
 28 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11494

> <plate>
PLATE 007

> <well>
G4

> <supplier_cmpd_name>
Vitamin D2

> <ctcr_id>
2433

> <supplier_cmpd_id>
T1086

> <smiles>
CC(C)C(C)C=CC(C)C1CCC2C(CCCC12C)=CC=C3CC(O)CCC3=C

> <pd_targets>
{GROES,GROL,HSPD1,HSPE1,TGR,AMPC,TST,ABCB11,VDR,CACNA1A,CACNA1B,CACNA1C,CACNA1D,CACNA1E,CACNA1F,CACNA1G,CACNA1H,CACNA1I,CACNA1S,CACNA2D1,CACNA2D2,CACNA2D3,CACNA2D4,CACNB1,CACNB2,CACNB3,CACNB4,CACNG1,C
ACNG2,CACNG3,CACNG4,CACNG5,CACNG6,CACNG7,CACNG8}

> <pathway_gtopdb>
{"Unclassified protein","Other cytosolic protein",Enzyme,Transporter,"Transcription factor","Ion channel",Hydrolase,Transferase,"Primary active transporter","Nuclear receptor","Voltage-gated ion chann
el","ATP-binding cassette","Nuclear hormone receptor subfamily 1","Voltage-gated calcium channel","ABCB subfamily","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 
group I member 1"}

> <pathway_chembl>
{Transporters,Receptors,"ATP-binding cassette transporter family","Nuclear hormone receptors","ABCB subfamily","1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Metabolism of amino acids and derivatives","Metabolism of lipids","Post-translational protein modification","Sulfur amino acid metabolism","Metabolism of steroids
",SUMOylation,"Degradation of cysteine and homocysteine","Bile acid and bile salt metabolism","SUMO E3 ligases SUMOylate target proteins","Sulfide oxidation to sulfate","Synthesis of bile acids and bi
le salts","SUMOylation of intracellular receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{VDR}

> <broad_moa>
{"vitamin analog"}

> <synonyms>
{50-14-6,50146,Ostelin,VD2-D3,VD2D3,"Vitamin D2 (Ergocalciferol)",Viosterin,Crtron,"5,6-trans-Vitamin D2","5,6transVitamin D2",1217448-46-8,1217448468,SCHEMBL3228643,"Ergocalciferol (Vitamin D2)-d6","
Ergocalciferol (Vitamin D2)d6",1311259-89-8,1311259898,51744-66-2,51744662,BCP03946,MCULE-6975405195,MCULE6975405195,DB-051734,DB051734,FT-0675838,FT0675838,"Oleovitamin D2;E",S4035,"Vitamin D2"}

> <pdid>
PD002348

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3249}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  1  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.1691    3.2479    0.0000 O   0  0
   -1.3070    5.2502    0.0000 N   0  0
   -2.6078    5.9988    0.0000 C   0  0  1  0  0  0
   -3.9047    5.2434    0.0000 C   0  0
   -3.9000    3.7426    0.0000 C   0  0
   -5.1962    2.9877    0.0000 C   0  0
   -3.0322    3.2456    0.0000 C   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -1.3119    8.2497    0.0000 C   0  0
   -1.3120    9.7497    0.0000 C   0  0
   -2.6110   10.4997    0.0000 C   0  0
   -3.9100    9.7496    0.0000 C   0  0
   -3.9100    8.2496    0.0000 C   0  0
   -5.2097    7.4993    0.0000 N   0  0
   -5.2121    5.9992    0.0000 C   0  0
   -6.5123    5.2512    0.0000 C   0  0
   -7.8102    6.0033    0.0000 C   0  0
   -7.8078    7.5033    0.0000 C   0  0
   -6.5076    8.2512    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 11 10  1  1
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 11 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
  6 28  2  0
 28 29  1  0
 29 30  2  0
 30  4  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11495

> <plate>
PLATE 007

> <well>
G5

> <supplier_cmpd_name>
Repaglinide

> <ctcr_id>
3695

> <supplier_cmpd_id>
T1088

> <smiles>
CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(O)=O

> <pd_targets>
{CYP3A4,ABCC8,MAPK1,ALD,LMNA,RORC,ABCC2,SLC22A1,ABCC3,ABCC4,ABCB11,KCNJ11,PPARG}

> <pathway_gtopdb>
{Enzyme,Transporter,"Other nuclear protein","Transcription factor","Ion channel","Cytochrome P450","Primary active transporter",Kinase,"Nuclear receptor","Electrochemical transporter","Voltage-gated i
on channel","Cytochrome P450 family 3","ATP-binding cassette","Protein Kinase","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","Potassium channels","Cytochrome P450 family 
3A","ABCC subfamily","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","SLC22 family of organic cation and anion transporters","ABCB subfamily","Inwardly rectifying potassium 
channel","Nuclear hormone receptor subfamily 1 group C","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfam
ily 1 group C member 3","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Cytochrome P450","ATP-binding cassette transporter family","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","SLC superfamily of solute carriers","CYP3 family","ABCC 
subfamily","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","SLC22 family of organic cation and anion transporters","ABCB subfamily","1C. Peroxisome proliferator-act
ivated receptors","Mitogen-activated protein kinases (MAP kinases)","Organic cation transporters (OCT)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Immune System","Cell Cycle","Gene expression (Transcription)","Transport of small molecules",Hemostasis,"Metabolism of lipids","Disorders of transmembrane transporters","Innate Im
mune System",Mitotic,"RNA Polymerase II Transcription","SLC-mediated transmembrane transport","Platelet activation","signaling and aggregation","Biosynthesis of specialized proresolving mediators (SPM
s)","ABC transporter disorders","Toll-like Receptor Cascades","M Phase","Generic Transcription Pathway","Transport of bile salts and organic acids","metal ions and amine compounds","Metabolism of ster
oids","Response to elevated platelet cytosolic Ca2+","Biosynthesis of DHA-derived SPMs","Defective ABCC8 can cause hypo- and hyper-glycemias","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase a
nd Anaphase","Transcriptional regulation by RUNX3","Defective ABCC2 causes DJS","Organic cation/anion/zwitterion transport","Bile acid and bile salt metabolism","Platelet degranulation","Transcription
al Regulation by MECP2","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Organic cation transport","Recy
cling of bile acids and salts","Synthesis of bile acids and bile salts","MECP2 regulates transcription factors","Biosynthesis of maresin-like SPMs","MAP kinase activation","Nuclear Envelope (NE) Reass
embly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets
","ERKs are inactivated"}

> <broad_targets>
{ABCC8,KCNJ11,PPARG}

> <broad_moa>
{"insulin secretagogue"}

> <synonyms>
{RESTW104,Prestwick1_001046,Prestwick1001046,Prestwick1-001046,"Prestwick1 001046",Prestwick2_001046,Prestwick2001046,Prestwick2-001046,"Prestwick2 001046",Repaglinide,135062-02-1,135062021,Prandin,No
voNorm,GlucoNorm,"AG-EE 623 ZW","AGEE 623 ZW","Repaglinidum (INN-Latin)","Repaglinidum (INNLatin)","Repaglinida (INN-Spanish)","Repaglinida (INNSpanish)","AG-EE 388 ZW","AGEE 388 ZW",AGEE-623ZW,AGEE62
3ZW,C27H36N2O4,"AG-EE 623ZW","AGEE 623ZW",UNII-668Z8C33LU,UNII668Z8C33LU,CHEMBL1272,AG-EE-3,AGEE3,T1088,SAM001246546,Prestw-1046,CPD000466305}

> <pdid>
PD000219

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{65981}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    8.8915   -4.9368    0.0000 C   0  0
    7.7740   -3.9362    0.0000 C   0  0
    6.3476   -4.4031    0.0000 O   0  0
    5.2295   -3.4020    0.0000 C   0  0
    5.5377   -1.9340    0.0000 O   0  0
    3.8056   -3.8679    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    1.8372   -5.2877    0.0000 N   0  0
    1.3786   -3.8595    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11496

> <plate>
PLATE 007

> <well>
G6

> <supplier_cmpd_name>
Etomidate

> <ctcr_id>
3429

> <supplier_cmpd_id>
T1089

> <smiles>
CCOC(=O)c1cncn1C(C)c2ccccc2

> <pd_targets>
{GABRA1,GABRB2,GABRG2,ABCB11,CYP11B1,CHRNA1,CHRNB1,CHRND,CHRNG,CYP11B2,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB3,GABRD,GABRE,GABRG1,GABRG3,GABRP,GABRQ,ADRA2B,LEF,CYP1A2,RORC,CYP3A4,CYP2C19,FFP,
LMNA,CYP2C9,AMPC}

> <pathway_gtopdb>
{"Ion channel",Transporter,Enzyme,"Membrane receptor","Transcription factor","Other nuclear protein","Ligand-gated ion channel","Primary active transporter","Cytochrome P450","Family A G protein-coupl
ed receptor",Protease,"Nuclear receptor",Transferase,Hydrolase,"GABA-A receptor","ATP-binding cassette","Cytochrome P450 family 11","Nicotinic acetylcholine receptor","Small molecule receptor (family 
A GPCR)","Metallo protease","Cytochrome P450 family 1","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cytochrome P450 family 2","ABCB subfamily","Cytochrome P450 family 11B","Nicot
inic acetylcholine receptor alpha subunit","Monoamine receptor","Metallo protease MAE clan","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cyto
chrome P450 family 2C","Cytochrome P450 11B1","Cytochrome P450 11B2","Adrenergic receptor","Metallo protease M34 family","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3","
Cytochrome P450 3A4","Cytochrome P450 2C19","Cytochrome P450 2C9"}

> <pathway_chembl>
{Transporters,Enzymes,"Ion channels",Receptors,"ATP-binding cassette transporter family","Cytochrome P450","Ligand-gated ion channels","G protein-coupled receptors","Nuclear hormone receptors","ABCB s
ubfamily",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","GABA<sub>A</sub> receptors",Adrenoceptors,"CYP1 family","1F. Retinoic acid-related orphans","CYP3 family","CYP2 family: drug metabolising subset
"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Signal Transduction",Disease,"Gene expression (Transcription)","Cell Cycle","Metabolism of lipids","Biological oxidations","Transmission across Chemical Synapses","Signa
ling by GPCR","Infectious disease","RNA Polymerase II Transcription",Mitotic,"Metabolism of steroids","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal tra
nsmission","GPCR ligand binding","Uptake and actions of bacterial toxins","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Bile acid and bile salt
 metabolism","Cytochrome P450 - arranged by substrate type","GABA receptor activation","Class A/1 (Rhodopsin-like receptors)","Uptake and function of anthrax toxins","Transcriptional regulation by RUN
X3","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Synthesis of bile acids and bile salts","Endogenous sterols","Amine ligand-binding receptors",Xenobiotics,"RUNX3 Regulates Immu
ne Response and Cell Migration","Biosynthesis of maresins","Mitotic Anaphase","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol",Adrenoceptors,"Aromatic amines can be N-hydroxylate
d or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA2B,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ}

> <broad_moa>
{"GABA receptor modulator"}

> <synonyms>
{Etomidate,33125-97-2,33125972,Amidate,Ethnor,"Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate","Ethyl 1(1phenylethyl)1Himidazole5carboxylate",Absele,15301-65-2,15301652,C14H16N2O2,Radenarcon,"1H-I
midazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (R)-","1HImidazole5carboxylic acid, 1(1phenylethyl), ethyl ester, (R)","Amidate (pharmaceutical)",MLS000034952,S,T1089,S1329,SAM002548930,1
505599,CPD000010931,ETOMIDATE}

> <pdid>
PD000355

> <targets>
{"GABA Receptor"}

> <classes>
{sedative,"Neuronal Signaling"}

> <pubchem_cids>
{36339}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    2.5608  -12.0027    0.0000 O   0  0
    2.5691  -10.5028    0.0000 C   0  0
    3.8725   -9.7587    0.0000 C   0  0
    3.8808   -8.2579    0.0000 N   0  0
    5.1824   -7.5124    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 Cl  0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 11  1  0
 25 19  1  0
  7 26  1  0
 26 27  1  0
 27  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11497

> <plate>
PLATE 007

> <well>
G7

> <supplier_cmpd_name>
Perphenazine

> <ctcr_id>
2071

> <supplier_cmpd_id>
T1090

> <smiles>
OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1

> <pd_targets>
{TSHR,MAPT,FFP,CHRM1,THPO,CYP3A4,AOX1,UBE2N,ADRA2A,DRD2,PDR5,SIGMAR1,HTR1A,HTR2A,ADRA2C,CHRM2,HTR6,ABCB11,HTR7,TP53,NPSR1,CYP2D6,GMNN,RORC,CYP1A2,RAD52,CYP2J2,LMNA,HRH1,HTR2C,ADRA1A,NFKB1,CYP2C19,ALB,
KMT2A,MEN1,CYP2C9,MAPK1,LEF,CHRM3,PMP22,NFO,RECQL,DRD3,ADRA2B,MTOR,KCNH2,CALM1}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein",Enzyme,"Unclassified protein",Transporter,"Transcription factor","Other nuclear protein","Secreted protein","Epigenetic regulator","Ion channel","Family 
A G protein-coupled receptor",Transferase,"Cytochrome P450",Oxidoreductase,Aminoacyltransferase,"Primary active transporter","Nuclear receptor",Reader,Kinase,Protease,Hydrolase,"Voltage-gated ion chan
nel","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","ATP-binding cassette","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","C
ytochrome P450 family 1",Bromodomain,"Protein Kinase","Metallo protease","Potassium channels","Glycohormone receptor","Monoamine receptor","Cytochrome P450 family 3A","ABCB subfamily","Short peptide r
eceptor (family A GPCR)","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 1A","Cytochrome P450 family 2C","CMGC protein kinase group","Metallo proteas
e MAE clan","Atypical protein kinase group","Voltage-gated potassium channel","Acetylcholine receptor","Cytochrome P450 3A4","Dopamine receptor","Adrenergic receptor","Serotonin receptor","Neuropeptid
e receptor","Cytochrome P450 2D6","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1","Histamine receptor","Cytochrome P450 2C19","Cytochrome P450 2C9","CMGC protein kinase M
APK family","Metallo protease M34 family","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Ion channels","G protein-coupled receptors","Cytochrome P450","Sigma receptors","ATP-binding cassette transporter family","Nuclear hormone rece
ptors","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","CYP3 family","Dopamine receptors",Adrenoceptors,"5-Hydroxytryptamine
 receptors","ABCB subfamily","Neuropeptide S receptor","CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","CYP1 family","Histamine receptors","CMGC: Containing CDK",MAPK,GSK3,
"CLK families",Atypical,"Potassium channels","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium channels","ERK s
ubfamily","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Signal Transduction",Hemostasis,Metabolism,"Immune System","Cell Cycle","Gene expression (Transcription)","DNA Repair","Developmental Biology","Muscle contraction","Infecti
ous disease","Transmission across Chemical Synapses","Signaling by GPCR","Platelet activation","signaling and aggregation","Metabolism of lipids","Metabolism of vitamins and cofactors","Innate Immune 
System","Cell Cycle Checkpoints","Biological oxidations",Mitotic,"RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Cytokine Signaling in Immune system","Nervous system development","
Cardiac conduction","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","Platelet Aggregation (Plug Formation)","Biosynthesis of specialized 
proresolving mediators (SPMs)","Metabolism of water-soluble vitamins and cofactors","Toll-like Receptor Cascades","SARS-CoV Infections","Metabolism of steroids","G1/S DNA Damage Checkpoints","Phase I 
- Functionalization of compounds","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Homology Directed Repair","M Phase","Signaling by Interleukins","Uptake and actions of bacteri
al toxins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Phase 3 - rapid repolarisation","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic ev
ents","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Vitamins B6 activation to pyridoxal phosphate","Toll Like Receptor 4 (TLR4) Cascade","Potential therapeutics for SARS",
"Bile acid and bile salt metabolism","p53-Dependent G1/S DNA damage checkpoint","Cytochrome P450 - arranged by substrate type","G1/S Transition","Transcriptional regulation by RUNX3","HDR through Homo
logous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Interleukin-1 family signaling","Toll Like Receptor 5 (TLR5) Cascade","Uptake and function of anthrax tox
ins","Transcriptional Regulation by TP53","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Amine ligand-binding receptors","Biosynthesis of 
maresins","MyD88-independent TLR4 cascade","Synthesis of bile acids and bile salts","p53-Dependent G1 DNA Damage Response",Xenobiotics,"Activation of the pre-replicative complex","RUNX3 Regulates Immu
ne Response and Cell Migration","HDR through Single Strand Annealing (SSA)","Fatty acids","Mitotic Anaphase","Interleukin-1 signaling","Recycling of bile acids and salts","MyD88 cascade initiated on p
lasma membrane","Regulation of TP53 Activity","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","Biosynthesis of 
maresin-like SPMs","TRIF(TICAM1)-mediated TLR4 signaling",Adrenoceptors,"Dopamine receptors","Serotonin receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Stabilization
 of p53","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Histamine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","MA
P kinase activation","Regulation of TP53 Expression and Degradation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","IKK complex recruitment mediated by RIP1","Auto
degradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Ras activation u
pon Ca2+ influx through NMDA receptor","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CALM1,DRD1,DRD2,HRH1,HTR2A,HTR2C,HTR6,HTR7}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{58-39-9,58399,Trilafon,Perphenazin,Etaperazine,Perfenazine,Ethaperazine,Etaperazin,Fentazin,Chlorpiprazine,Perphenan,Thilatazin,Tranquisan,Decentan,Chlorperphenazine,Emesinal,Perfenazina,Trifaron,Tri
lifan,Triphenot,F-mon,Fmon,Perphenazinum,T1090,SAM002264637,1503934,Prestw-125,Perphenazine,CPD000058180,PERPHENAZINE}

> <pdid>
PD000799

> <targets>
{}

> <classes>
{antipsychotic}

> <pubchem_cids>
{4748}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  1  0            999 V2000
   -0.7603   -8.0518    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -2.6933   -6.3162    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0  1  0  0  0
   -5.2526    1.3618    0.0000 C   0  0
   -6.2524    0.2436    0.0000 O   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.1032   -2.4253    0.0000 O   0  0
   -4.0317   -0.7359    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 14 13  1  6
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 14  1  0
 12 20  1  0
 20 21  2  0
 21  6  1  0
 21  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11498

> <plate>
PLATE 007

> <well>
G8

> <supplier_cmpd_name>
Zolmitriptan

> <ctcr_id>
3086

> <supplier_cmpd_id>
T1092

> <smiles>
CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12

> <pd_targets>
{HTR1E,HTR1F,HTR1A,HTR1D,HTR1B,ADRA2A,ADRA2B,ADRA2C,DRD2,HTR7,HTR2A,HTR2B,KMT2A}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator","Family A G protein-coupled receptor",Reader,"Small molecule receptor (family A GPCR)",Bromodomain,"Monoamine receptor","Serotonin receptor","Adrenergic rec
eptor","Dopamine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Chromatin modifying enzymes","5-Hydroxytryptamine receptors","Dopamine receptors","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Gene expression (Transcription)","Signaling by GPCR","Infectious disease","RNA Polymerase II Transcription","GPCR ligand binding","Leishmania infection","Generic Transc
ription Pathway","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Transcriptional regulation by RUNX1","Amine ligand-binding receptors","Anti-inflammatory response fav
ouring Leishmania parasite infection","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines produc
tion","Dopamine receptors"}

> <broad_targets>
{HTR1A,HTR1B,HTR1D,HTR1E,HTR1F}

> <broad_moa>
{"serotonin receptor agonist"}

> <synonyms>
{zolmitriptan,139264-17-8,139264178,Zomig,Zomigoro,Zomigon,Flezol,311C90,Zomig-ZMT,ZomigZMT,C16H21N3O2,UNII-2FS66TH3YW,UNII2FS66TH3YW,(S)-4-(3-(2-Dimethylamino-ethyl)-1H-indol-5-ylmethyl)-oxazolidin-2
-one,(S)4(3(2Dimethylaminoethyl)1Hindol5ylmethyl)oxazolidin2one,"Zolmitriptan (Zomig)",(S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl),(S)4((3(2(dimethylamino)ethyl)1Hindol5yl),T1092,S1649,SAM001246
841,1505281,Zolmitriptan,Zolmitriptan,CPD000449310,ZOLMITRIPTAN}

> <pdid>
PD000525

> <targets>
{Others}

> <classes>
{"Neuronal Signaling",antimigraine,"5HT[1B/1D] agonist"}

> <pubchem_cids>
{60857}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
   -0.2125   -9.4726    0.0000 N   0  0
   -0.6977   -8.0533    0.0000 S   0  0
   -2.1696   -7.7642    0.0000 O   0  0
   -1.6841   -9.1833    0.0000 O   0  0
    0.2898   -6.9231    0.0000 C   0  0
   -0.1949   -5.5036    0.0000 C   0  0
    0.7921   -4.3740    0.0000 C   0  0
    2.2638   -4.6640    0.0000 C   0  0
    2.7485   -6.0835    0.0000 C   0  0
    1.7615   -7.2131    0.0000 C   0  0
    2.2463   -8.6326    0.0000 Cl  0  0
    0.3114   -2.9665    0.0000 C   0  0
   -1.1510   -2.6328    0.0000 O   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
  7 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 12  1  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11499

> <plate>
PLATE 007

> <well>
G9

> <supplier_cmpd_name>
Chlortalidone

> <ctcr_id>
1271

> <supplier_cmpd_id>
T1091

> <smiles>
N[S](=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23

> <pd_targets>
{CA1,CA4,CA6,CA12,CA7,CA9,CA14,MAPT,CA5B,CA13,CA2,CA3,CA5A,SLC12A3,SLC12A1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Transporter,Lyase,"Electrochemical transporter","SLC superfamily of solute carriers","SLC12 family of cation-coupled chloride transporters"}

> <pathway_chembl>
{Enzymes,Transporters,"Carbonic anhydrases","SLC superfamily of solute carriers","SLC12 family of cation-coupled chloride transporters"}

> <pathway_reactome>
{"Immune System","Transport of small molecules",Metabolism,"Cellular responses to external stimuli","Neuronal System",Disease,"Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","R
eversible hydration of carbon dioxide","Cellular responses to stress","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Signaling by Interleukins","Erythrocytes take u
p carbon dioxide and release oxygen","Cellular response to hypoxia","Neurotransmitter receptors and postsynaptic signal transmission","SLC transporter disorders","Interleukin-12 family signaling","Reg
ulation of gene expression by Hypoxia-inducible Factor","Activation of NMDA receptors and postsynaptic events","Defective SLC12A3 causes Gitelman syndrome (GS)","Defective SLC12A1 causes Bartter syndr
ome 1 (BS1)","Interleukin-12 signaling","Post NMDA receptor activation events","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Activation of AMPK downstream of NM
DARs"}

> <broad_targets>
{CA1,CA12,CA14,CA2,CA4,CA7,SLC12A1}

> <broad_moa>
{"carbonic anhydrase inhibitor"}

> <synonyms>
{chlorthalidone,Chlortalidone,77-36-1,77361,Phthalamudine,Chlorphthalidolone,Chlorthalidon,Hygroton,Phthalamodine,Chlorothalidone,Thalitone,Chlorphthalidone,Natriuran,Saluretin,Zambesil,Igroton,Isoren
,Oradil,Renon,Hydro-Long,HydroLong,Oxodolin,Chlortalidonum,O,T1091,SAM002589983,1500187,Prestw-351,CPD000058635,CHLORTHALIDONE,Chlorthalidone}

> <pdid>
PD002421

> <targets>
{}

> <classes>
{antihypertensive,diuretic}

> <pubchem_cids>
{2732}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 36  0  0  0  0            999 V2000
    3.3920   -1.3678    0.0000 C   0  0
    1.9632   -0.9113    0.0000 O   0  0
    0.8522   -1.9204    0.0000 C   0  0
    1.1734   -3.3856    0.0000 C   0  0
    0.0651   -4.3964    0.0000 C   0  0
   -1.3644   -3.9419    0.0000 C   0  0
   -1.6856   -2.4767    0.0000 C   0  0
   -0.5773   -1.4659    0.0000 C   0  0
   -1.3807   -0.1983    0.0000 C   0  0
   -1.9960   -1.8861    0.0000 C   0  0
   -0.7725   -1.0114    0.0000 C   0  0
   -1.2994    0.4363    0.0000 C   0  0
   -0.7655    1.9188    0.0000 C   0  0
    0.7215    1.8550    0.0000 C   0  0
    1.2124    0.4527    0.0000 C   0  0
    0.7083   -1.0580    0.0000 C   0  0
    0.0327   -0.3280    0.0000 C   0  0
   -1.8323    1.0426    0.0000 C   0  0
   -2.4733   -4.9532    0.0000 C   0  0
   -2.1545   -6.4190    0.0000 C   0  0
   -3.2644   -7.4280    0.0000 C   0  0
   -4.6932   -6.9713    0.0000 C   0  0
   -5.8031   -7.9803    0.0000 C   0  0
   -7.2319   -7.5236    0.0000 C   0  0
   -7.5508   -6.0579    0.0000 C   0  0
   -6.4409   -5.0489    0.0000 C   0  0
   -5.0121   -5.5056    0.0000 C   0  0
   -3.9022   -4.4966    0.0000 C   0  0
   -8.3445   -8.5309    0.0000 C   0  0
   -8.0282   -9.9971    0.0000 O   0  0
   -9.7726   -8.0721    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 15 17  1  0
 17  9  1  0
 13 18  1  0
 18  9  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 22  1  0
 27 28  2  0
 28 19  1  0
 24 29  1  0
 29 30  1  0
 29 31  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11500

> <plate>
PLATE 007

> <well>
G10

> <supplier_cmpd_name>
Adapalene

> <ctcr_id>
42

> <supplier_cmpd_id>
T1093

> <smiles>
COc1ccc(cc1C23CC4CC(CC(C4)C2)C3)c5ccc6cc(ccc6c5)C(O)=O

> <pd_targets>
{RARB,RARG,RORC,LMNA,RARA,GROES,GROL,HSPD1,HSPE1,TDP1,BLM,GLRA1,RXRB,RXRG,RXRA,JUN,TLR2,GOT1}

> <pathway_gtopdb>
{"Transcription factor","Other nuclear protein","Unclassified protein","Other cytosolic protein",Enzyme,"Ion channel","Membrane receptor","Nuclear receptor",Hydrolase,"Ligand-gated ion channel","Toll-
like and Il-1 receptors",Transferase,"Nuclear hormone receptor subfamily 1","Glycine receptor","Nuclear hormone receptor subfamily 2","Nuclear hormone receptor subfamily 1 group B","Nuclear hormone re
ceptor subfamily 1 group F","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subfamily 1 group B member 2","Nuclear hormone receptor subfamily 1 group B member 3","Nuclear horm
one receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group B member 1","Nuclear hormone receptor subfamily 2 group B member 2","Nuclear hormone receptor subfamily 2 group B
 member 3","Nuclear hormone receptor subfamily 2 group B member 1"}

> <pathway_chembl>
{Receptors,"Ion channels","Nuclear hormone receptors","Ligand-gated ion channels","Catalytic receptors","1B. Retinoic acid receptors","1F. Retinoic acid-related orphans","Glycine receptors","2B. Retin
oid X receptors","Pattern recognition receptors","Toll-like receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","Metabolism of proteins","DNA Repair","Neuronal System",Metabolism,"Immune System","RNA Polymerase II Transcription",Mitotic,"Post-translational protein
 modification","DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Metabolism of lipids","Innate Immune System","Metabolism of amino acids and derivatives","Generic Transcription
 Pathway","M Phase",SUMOylation,"Nonhomologous End-Joining (NHEJ)","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Metabolism of steroids","Toll-like Rece
ptor Cascades","Sulfur amino acid metabolism","Nuclear Receptor transcription pathway","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","SUMO E3 ligases SUMOylate target proteins
","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Bile acid and bile salt metabolism","Toll Like Receptor 5 (TLR5) Cascade","Toll Like Receptor 2 (TLR2) Cascade","Methio
nine salvage pathway","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","SUMOylation of intracellular receptors","HDR through Homologous Recombination (HRR)","Synthesis of bile a
cids and bile salts","MyD88 cascade initiated on plasma membrane","Toll Like Receptor TLR6:TLR2 Cascade","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Synthesis of b
ile acids and bile salts via 27-hydroxycholesterol","MAP kinase activation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase
 of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{RARA,RARB,RARG,RXRA,RXRB,RXRG}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{106685-40-9,106685409,Differin,"6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid","6(3(Adamantan1yl)4methoxyphenyl)2naphthoic acid",Adapaleno,Adapalenum,"Adapalenum (INN-Latin)","Adapalenum (I
NNLatin)","Adapaleno (INN-Spanish)","Adapaleno (INNSpanish)",CD-271,CD271,"CD 271","6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid","6(3(1Adamantyl)4methoxyphenyl)2naphthoic acid",6-(3-(1-adaman
ty,6(3(1adamanty,T1093,S1276,Adapalene}

> <pdid>
PD001297

> <targets>
{Others,Apoptosis,Autophagy,RAR/RXR}

> <classes>
{Others,Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{60164}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    5.1937   -3.0093    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 S   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    1.2827   -8.2489    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14  9  1  0
 14 15  2  0
 15  6  1  0
  2 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11501

> <plate>
PLATE 007

> <well>
G11

> <supplier_cmpd_name>
Tolnaftate

> <ctcr_id>
1680

> <supplier_cmpd_id>
T1094

> <smiles>
CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3

> <pd_targets>
{CYP2C9,MAPT,CYP2C19,CYP3A4,LMNA,TDP1,LEF,CYP1A2,HTR2B,CYP51A1,ERG1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Other nuclear protein","Membrane receptor","Cytochrome P450",Hydrolase,Protease,"Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 fam
ily 3","Metallo protease","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 51","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Metallo protease MAE
 clan","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 family 51A","Cytochrome P450 2C9","Cytochrome P450 2C19","Cytochrome P450 3A4","Metallo protease M34 family","Cytochrome P450 1
A1","Serotonin receptor","Cytochrome P450 51A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP3 family","CYP1 family","5-Hydroxytryptamine receptors",CYP39,"CYP46 and CYP51 families"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Cell Cycle","DNA Repair",Disease,"Signal Transduction","Biological oxidations","Transmission across Chemical Synapses","Metabolism of lipids",Mitotic,"DNA Double-Strand 
Break Repair","Infectious disease","Signaling by GPCR","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proreso
lving mediators (SPMs)","M Phase","Nonhomologous End-Joining (NHEJ)","Uptake and actions of bacterial toxins","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Activation of NMDA r
eceptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Post N
MDA receptor activation events","Biosynthesis of maresins","Mitotic Anaphase","Amine ligand-binding receptors","Endogenous sterols","CYP2E1 reactions","Activation of AMPK downstream of NMDARs","Biosyn
thesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformatio
n"}

> <broad_targets>
{}

> <broad_moa>
{"fungal squalene epoxidase inhibitor"}

> <synonyms>
{tolnaftate,2398-96-1,2398961,Tinactin,Tolnaphthate,Tonoftal,Sporiline,Tinaderm,Tolsanil,Aftate,Chinofungin,Dermoxin,Focusan,Tinavet,Pitrex,"Naphthiomate T",Phytoderm,Timoped,Tritin,HI-Alazin,HIAlazin
,Fungistop,Tolnaftato,Tolnaftatum,Sorgoa,Dungistop,Tniaderm,Se,T1094,1500583,Prestw-70,Tolnaftate,TOLNAFTATE}

> <pdid>
PD001724

> <targets>
{}

> <classes>
{antifungal}

> <pubchem_cids>
{5510}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    6.4971   -0.7566    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0  1  0  0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0  1  0  0  0
    3.8919   -5.2525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0008    0.0000 C   0  0
   -3.3461   -4.2096    0.0000 C   0  0
   -1.8461   -4.2072    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -5.2011    2.9977    0.0000 O   0  0
   -6.4964    0.7459    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  2  1  0
  4  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 20  1  0
 19 23  1  0
 23 14  1  0
 23 24  2  0
 24  9  1  0
 24 25  1  0
 17 26  1  0
 26 27  1  0
 26 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11502

> <plate>
PLATE 007

> <well>
H2

> <supplier_cmpd_name>
Sparfloxacin

> <ctcr_id>
2728

> <supplier_cmpd_id>
T1095

> <smiles>
C[C@H]1CN(C[C@@H](C)N1)c2c(F)c(N)c3C(=O)C(=CN(C4CC4)c3c2F)C(O)=O

> <pd_targets>
{MAPK1,KCNH2,POLB,CACNA1C,CACNA1D,CACNA1F,CACNA1S,GYRA,GYRB,PARC,PARE,TOP2A}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel",Isomerase,"Protein Kinase","Potassium channels","Voltage-gated calcium channel","CMGC protein kinase group","Voltage-gated potassium channel","
CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","DNA topoisomerases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Potassium channels","Mitogen-activated protein kinases
 (MAP kinases)","Voltage-gated potassium channels","ERK subfamily"}

> <pathway_reactome>
{"Immune System","Muscle contraction","DNA Repair","Cell Cycle","Innate Immune System","Cardiac conduction","Base Excision Repair",Mitotic,"Toll-like Receptor Cascades","Phase 3 - rapid repolarisation
","Resolution of Abasic Sites (AP sites)","Mitotic G1 phase and G1/S transition","Toll Like Receptor 5 (TLR5) Cascade","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G
0 and Early G1","MyD88 cascade initiated on plasma membrane","PCNA-Dependent Long Patch Base Excision Repair","Transcription of E2F targets under negative control by DREAM complex","MAP kinase activat
ion","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{RESTW134,sparfloxacin,110871-86-8,110871868,Zagam,AT-4140,AT4140,CI-978,CI978,Spara,"CI 978",SPFX,PD-131501,PD131501,"AT 4140","PD 131501",UNII-Q90AGA787L,UNIIQ90AGA787L,CHEBI:9212,MFCD00869619,Q90AG
A787L,Esparfloxacino,Sparfloxacine,Sparfloxacinum,111542-93-9,111542939,DSSTox_CID_3590,DSSToxCID3590,DSSTox-CID-3590,"DSSTox CID 3590",DSSTox_RID_77097,DSSToxRID77097,DSSTox-RID-77097,"DSSTox RID 770
97",DSSTo,T1095,Prestw-1343,Sparfloxacin}

> <pdid>
PD001677

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60464,6956367}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 24  0  0  1  0            999 V2000
    7.5987   -6.3787    0.0000 Cl  0  5
   -2.8348  -14.2572    0.0000 C   0  0
   -1.8332  -13.1406    0.0000 C   0  0
   -0.3655  -13.4502    0.0000 C   0  0
   -2.2988  -11.7138    0.0000 C   0  0  2  0  0  0
   -3.7665  -11.4042    0.0000 N   0  0
   -1.2966  -10.5966    0.0000 C   0  0
    0.1711  -10.9062    0.0000 O   0  0
   -1.7622   -9.1698    0.0000 O   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.0987   -6.3787    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  6
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 14  1  0
 24 17  2  0
M  CHG  2   1  -1  25   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11503

> <plate>
PLATE 007

> <well>
H3

> <supplier_cmpd_name>
Valacyclovir hydrochloride

> <ctcr_id>
2524

> <supplier_cmpd_id>
T1087

> <smiles>
[Cl-].CC(C)[C@H](N)C(=O)OCCOCn1cnc2C(=O)N=C(N)Nc12.[H+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"DNA polymerase inhibitor"}

> <synonyms>
{"VALACICLOVIR HYDROCHLORIDE",Prestw-1505,Prestw1505,"VALACYCLOVIR HYDROCHLORIDE","Valacyclovir hydrochloride","Valganciclovir HCl",SAM001246749,S1876,T1087,1505368,CPD000469208}

> <pdid>

> <targets>
{Others}

> <classes>
{antiviral}

> <pubchem_cids>
{60772,67201313}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -3.8978    2.2504    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 N   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  3  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10  2  1  0
  3 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11504

> <plate>
PLATE 007

> <well>
H4

> <supplier_cmpd_name>
Milrinone

> <ctcr_id>
6778

> <supplier_cmpd_id>
T1096

> <smiles>
CC1=C(C=C(C#N)C(=O)N1)c2ccncc2

> <pd_targets>
{PDE3A,PDE3B,PDE4A,PDE5A,TSHR,PDE4B,PDE4C,PDE4D,AMPC,PDE2A,PTGS1,KDM4E,LMNA,BLM,HPGD,CHRM1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Other nuclear protein",Phosphodiesterase,"Family A G protein-coupled receptor",Hydrolase,Oxidoreductase,Eraser,"Phosphodiesterase 3","Phosphodiester
ase 4","Phosphodiesterase 5","Peptide receptor (family A GPCR)","Phosphodiesterase 2","Lysine demethylase","Small molecule receptor (family A GPCR)","Phosphodiesterase 3A","Phosphodiesterase 4A","Phos
phodiesterase 5A","Glycohormone receptor","Phosphodiesterase 3B","Phosphodiesterase 2A","Jumonji domain-containing","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cyclic nucleotide turnover/signalling","G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Glycop
rotein hormone receptors",Cyclooxygenase,"1.14.11.- Histone demethylases","Prostaglandin synthases","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{Hemostasis,Disease,"Signal Transduction",Metabolism,"Cell Cycle","DNA Repair","Platelet homeostasis","Infectious disease","Signaling by Receptor Tyrosine Kinases","Signaling by GPCR","Metabolism of l
ipids",Mitotic,"DNA Double-Strand Break Repair","Nitric oxide stimulates guanylate cyclase","Leishmania infection","Signaling by Insulin receptor","GPCR downstream signalling","Fatty acid metabolism",
"M Phase","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","cGMP effects","Leishmania parasite growth and survival","Insulin receptor signal
ling cascade","G alpha (s) signalling events","Arachidonic acid metabolism","G alpha (i) signalling events","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Stran
d Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Anti-inflammatory response favouring Leishmania parasite infection","IRS-mediated signalling","Synthesis o
f Prostaglandins (PG) and Thromboxanes (TX)","Opioid Signalling","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","Biosynthesis of D-series resolvins","Amine ligand-binding receptors","
ADORA2B mediated anti-inflammatory cytokines production","PI3K Cascade","DARPP-32 events","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine rece
ptors","PKB-mediated events","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","PDE3B signalling"}

> <broad_targets>
{PDE2A,PDE3A,PDE3B,PDE5A}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{milrinone,78415-72-2,78415722,Primacor,Milrinona,Milrinonum,6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile,6methyl2oxo5pyridin4yl1Hpyridine3carbonitrile,"WIN 47203","2-methyl-6-oxo-1,6-dihy
dro-(3,4'-bipyridine)-5-carbonitrile","2methyl6oxo1,6dihydro(3,4'bipyridine)5carbonitrile",UNII-JU9YAX04C7,UNIIJU9YAX04C7,3-Cyano-6-methyl-5-(4-pyridyl)-2-pyridone,3Cyano6methyl5(4pyridyl)2pyridone,MF
CD0,T1096,SAM001246611,Prestw-1065,Milrinone,CPD000058475}

> <pdid>
PD000378

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4197}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 36  0  0  1  0            999 V2000
   10.2961    2.6232    0.0000 Cl  0  0
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 C   0  0
    3.8971    5.2500    0.0000 C   0  0
    5.1961    6.0001    0.0000 C   0  0
    5.1961    7.5001    0.0000 C   0  0
    3.8970    8.2500    0.0000 C   0  0
    2.5980    7.5000    0.0000 C   0  0
    1.2990    8.2500    0.0000 O   0  0
    2.5980    6.0000    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
   -3.8976   -0.7554    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0000    6.0000    0.0000 O   0  0
    6.4974    5.2523    0.0000 N   0  0
    7.7954    6.0042    0.0000 C   0  0
    6.5001    3.7523    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  5  3  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 10  1  0
 16 17  1  0
 17 18  2  3
 18  8  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21  6  1  0
 21 22  1  6
 21 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  2  0
 25 27  1  0
 24 28  1  0
 28  5  1  0
 28 29  2  0
 23 30  1  0
 17 31  1  0
 11 32  1  0
 32 33  1  0
 32 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11505

> <plate>
PLATE 007

> <well>
H5

> <supplier_cmpd_name>
Minocycline hydrochloride

> <ctcr_id>
7003

> <supplier_cmpd_id>
T1101

> <smiles>
Cl.CN(C)[C@H]1C2CC3Cc4c(ccc(O)c4C(=C3C(=O)[C@]2(O)C(=C(C(=O)N)C1=O)O)O)N(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Minocin,Minomycin,CHEBI:50697,SCHEMBL11297721,SCHEMBL22117619,"MINOCYCLINE HYDROCHLORIDE",13614-98-7,"Minocycline HCl",Arestin,Solodyn,Periocline,"Minocycline (hydrochloride)",Vectrin,Minomax,UNII-00
20414E5U,"Mynocine hydrochloride",C23H28ClN3O7,0020414E5U,"Minocycline, Hydrochloride",Tri-mino,DSSTox_CID_24545,DSSTox_RID_80306,DSSTox_GSID_44545,Lederderm,Mynocine,Acnez,Ximino,"Minomycin chloride"
,NSC-141993,"EINECS 237-099-7","Minocycline hydrochloride (internal use)",C23H27N3O7.HCl,MFCD00083669,"Minocycline, HCl",NCGC00096006-01,Prestwick_626,"Arestin (TN)","Dynacin (TN)","Minocin (TN)","Sol
odyn (TN)","Minocycline hydrochloride (USP:JAN)",Minocyclinhydrochlorid,"minomycin hydrochloride",SCHEMBL2537,CAS-13614-98-7,MLS002548863,SPECTRUM1500414,"7-Dimethylamino-6-demethyl-6-deoxytetracyclin
e, HCl",FXFM-244,"Minocycline hydrochloride, 97",CHEMBL1200881,CHEMBL4576719,DTXSID8044545,HMS1568P12,Pharmakon1600-01500414,BCP06597,Tox21_111250,Tox21_113183,Tox21_301590,"10118-90-8 (base)",CCG-401
07,NSC757120,s4226,"Minocycline hydrochloride, crystalline",AKOS015951312,"Minocycline hydrochloride (JP17/USP)",Tox21_111250_1,CS-1256,NC00460,NSC-757120,NCGC00178854-03,NCGC00255988-01,AC-22362,AS-7
5306,HY-17412,S051,SMR001906766,M2288,D00850,J10198,W-5076,"Minocycline, Hydrochloride - CAS 13614-98-7",614M987,SR-01000075625,Q-201407,SR-01000075625-1,Q27104777,"Minocycline hydrochloride, Antibiot
ic for Culture Media Use Only","Minocycline hydrochloride, European Pharmacopoeia (EP) Reference Standard",SAM002264621,CPD001906766}

> <pdid>
PD033041

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{54751657,54685925}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 36  0  0  1  0            999 V2000
    1.6391   -7.2459    0.0000 C   0  0
    1.1939   -5.8135    0.0000 C   0  0
    0.7485   -4.3803    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -0.6873   -2.7330    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8991    0.7525    0.0000 C   0  0
   -5.1969    1.5045    0.0000 C   0  0
   -5.1945    3.0045    0.0000 C   0  0
   -3.8943    3.7525    0.0000 C   0  0
   -2.5965    3.0004    0.0000 C   0  0
   -6.4916    3.7597    0.0000 N   0  0
   -6.4870    5.2597    0.0000 C   0  0
   -7.7931    3.0140    0.0000 C   0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 12  1  0
 18 19  2  3
 19  9  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22  4  1  0
 22  8  1  0
 22 23  1  6
 20 24  1  6
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11506

> <plate>
PLATE 007

> <well>
H6

> <supplier_cmpd_name>
Mifepristone

> <ctcr_id>
2079

> <supplier_cmpd_id>
T1102

> <smiles>
CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c5ccc(cc5)N(C)C

> <pd_targets>
{NR3C1,PGR,AR,NR3C2,ABCB1A,ESR1,FTL,BLM,GMNN,LMNA,MAPK1,RORC,NPSR1,CYP3A4,CYP2C8,HTT,NFO,MAPK14,PMP22,ESR2,ALOX15,CYP2C9,NR1I2,MTOR,ADRA2B,ABCB11,OPRM1,OPRK1,FYN,SIGMAR1}

> <pathway_gtopdb>
{"Transcription factor",Transporter,"Other nuclear protein","Unclassified protein",Enzyme,"Membrane receptor","Nuclear receptor","Primary active transporter",Kinase,Protease,"Family A G protein-couple
d receptor","Cytochrome P450",Hydrolase,Oxidoreductase,"Nuclear hormone receptor subfamily 3","ATP-binding cassette","Protein Kinase","Nuclear hormone receptor subfamily 1","Cysteine protease","Peptid
e receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group C","ABCB subfamily","Nuclear hor
mone receptor subfamily 3 group A","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","Cytochrome P450 fami
ly 3A","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group I","Atypical protein kinase group","Monoamine receptor","TK protein kinase group","Nuclear hormone receptor subfamily 3 g
roup C member 1","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 2","Nuclear hormon
e receptor subfamily 3 group A member 1","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C1A family","Neuropeptide receptor","Cytochrome P4
50 3A4","Cytochrome P450 2C8","Nuclear hormone receptor subfamily 3 group A member 2","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group I member 2","Atypical protein kinase PIKK family
","Adrenergic receptor","Opioid receptor","Tyrosine protein kinase Src family","CMGC protein kinase ERK1","CMGC protein kinase p38 subfamily","Atypical protein kinase FRAP subfamily","Tyrosine protein
 kinase SrcA"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Other protein targets","Nuclear hormone receptors","ATP-binding cassette transporter family","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cytochrome P450","Ei
cosanoid turnover","Catalytic receptors","Sigma receptors","Steroid hormone receptors","ABCB subfamily","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","Neuropeptid
e S receptor","CYP3 family","CYP2 family: drug metabolising subset",Lipoxygenases,"1I. Vitamin D receptor-like receptors",Atypical,Adrenoceptors,"Opioid receptors","Receptor kinases","3C. 3-Ketosteroi
d receptors","3A. Estrogen receptors","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","TK: Tyrosine kinase","ERK subfamily","p38 subfa
mily","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Src family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","Vesicle-mediated transport","DNA Repair","Cell Cycle","Immune System",Disease,Metabolism,"Developmental Biology","Signal Transduction","RNA
 Polymerase II Transcription","Post-translational protein modification","Membrane Trafficking","DNA Double-Strand Break Repair",Mitotic,"Innate Immune System","Infectious disease","Metabolism of lipid
s","Biological oxidations","Nervous system development","Intracellular signaling by second messengers","Signaling by GPCR","Generic Transcription Pathway",SUMOylation,"trans-Golgi Network Vesicle Budd
ing","Homology Directed Repair","Mitotic G1 phase and G1/S transition","M Phase","Toll-like Receptor Cascades","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Phase
 I - Functionalization of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","PIP3 activates AKT signaling","GPCR ligand binding","Metabolism of steroids","GPCR downstream sig
nalling","HIV Infection","SARS-CoV Infections","FOXO-mediated transcription","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX2","Transcriptional regulation by RUNX1","Go
lgi Associated Vesicle Biogenesis","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G1/S Transition","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade
","Transcriptional regulation by RUNX3","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by MECP2
","Negative regulation of the PI3K/AKT network","Biosynthesis of DPA-derived SPMs","Transcriptional Regulation by TP53","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","G a
lpha (i) signalling events","Host Interactions of HIV factors","Potential therapeutics for SARS","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","SUMOylation of intrac
ellular receptors","RUNX2 regulates bone development","RUNX1 regulates estrogen receptor mediated transcription","HDR through Homologous Recombination (HRR)","Activation of the pre-replicative complex
","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesi
s of maresins",Xenobiotics,"Regulation of MECP2 expression and activity",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Biosynthesis of DPAn-3 SPMs","Regulation of TP53 Activity","Amine ligand-bind
ing receptors","Synthesis of bile acids and bile salts","Opioid Signalling","MECP2 regulates neuronal receptors and channels","The role of Nef in HIV-1 replication and disease pathogenesis","RUNX2 reg
ulates osteoblast differentiation","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Bi
osynthesis of maresin-like SPMs","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","Regulation of TP53 Expression and Degradation",Adrenoceptors,"Synthesis of bile acids and
 bile salts via 7alpha-hydroxycholesterol","G-protein activation","Nef and signal transduction","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) R
eformation","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","ERKs are inactivated"}

> <broad_targets>
{AR,NR1I2,NR3C1,PGR}

> <broad_moa>
{"glucocorticoid receptor antagonist","progesterone receptor antagonist"}

> <synonyms>
{C29H35NO2,SCHEMBL13840946,VKHAHZOOUSRJNA-YYTJNDDGSA-,VKHAHZOOUSRJNAYYTJNDDGSA,Pharmakon1600-01505615,Pharmakon160001505615,NSC759862,AKOS015960588,AC-6214,AC6214,CCG-213496,CCG213496,NSC-759862,AS-12
458,AS12458,M1732,AB01563324_01,AB0156332401,AB01563324-01,"AB01563324 01",SR-05000001761,SR05000001761,SR-05000001761-1,SR050000017611,T1102,1505615,Mifepristone,MIFEPRISTONE}

> <pdid>
PD000351

> <targets>
{}

> <classes>
{"progesterone antagonist","abortion inducer"}

> <pubchem_cids>
{18649237}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5228   -3.0436    0.0000 C   0  0
    1.2626   -2.2300    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5629    0.0216    0.0000 C   0  0
    3.8799   -0.6963    0.0000 C   0  0
    5.1602    0.0853    0.0000 C   0  0
    5.1235    1.5848    0.0000 C   0  0
    6.4037    2.3664    0.0000 N   0  0
    3.8064    2.3028    0.0000 C   0  0
    2.5262    1.5212    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9  3  1  0
  9 10  2  0
  3 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11507

> <plate>
PLATE 007

> <well>
H7

> <supplier_cmpd_name>
Aminoglutethimide

> <ctcr_id>
376

> <supplier_cmpd_id>
T1103

> <smiles>
CCC1(CCC(=O)NC1=O)c2ccc(N)cc2

> <pd_targets>
{CYP19A1,CYP17A1,CYP3A4,CYP11B2,TBXAS1,CYP11A1,PMP22,NFKB1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Cytochrome P450","Cytochrome P450 family 19","Cytochrome P450 family 17","Cytochrome P450 family 3","Cytochrome P450 family 11","Cytochrome P4
50 family 5","Cytochrome P450 family 19A","Cytochrome P450 family 17A","Cytochrome P450 family 3A","Cytochrome P450 family 11B","Cytochrome P450 family 5A","Cytochrome P450 family 11A","Cytochrome P45
0 19A1","Cytochrome P450 17A1","Cytochrome P450 3A4","Cytochrome P450 11B2","Cytochrome P450 5A1","Cytochrome P450 11A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","CYP3 family",CYP5,"CYP7 and CYP8 families"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Immune System","Biological oxidations","Metabolism of lipids","Nervous system development","Cytokine Signaling in Immune system","Phase I - Functionalization of co
mpounds","Metabolism of steroids","Biosynthesis of specialized proresolving mediators (SPMs)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Signaling by Interleukins","Cytochrome P
450 - arranged by substrate type","Metabolism of steroid hormones","Biosynthesis of DHA-derived SPMs","Interleukin-1 family signaling","Endogenous sterols","Androgen biosynthesis","Biosynthesis of mar
esins",Eicosanoids,"Interleukin-1 signaling","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation"}

> <broad_targets>
{CYP11A1,CYP19A1}

> <broad_moa>
{"glucocorticoid receptor antagonist"}

> <synonyms>
{PARA-AMIN,PARAAMIN,aminoglutethimide,125-84-8,125848,dl-Aminoglutethimide,dlAminoglutethimide,Cytadren,Orimeten,p-Aminoglutethimide,pAminoglutethimide,Elipten,"3-(4-aminophenyl)-3-ethylpiperidine-2,6
-dione","3(4aminophenyl)3ethylpiperidine2,6dione","3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione","3(4Aminophenyl)3ethyl2,6piperidinedione",2,6-Piperidinedione,6Piperidinedione,3-(4-aminophenyl)-3,3(4
aminophenyl)3,T1103,SAM002589964,1500115,Prestw-244,Aminoglutethimide,CPD000326785,AMINOGLUTETHIMIDE,"Glutethimide, para-amino"}

> <pdid>
PD002479

> <targets>
{}

> <classes>
{"testosterone suppressant",antineoplastic,"aromatase inhibitor"}

> <pubchem_cids>
{2145}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 47 49  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 N   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0  1  0  0  0
   -6.4972   -0.7365    0.0000 C   0  0  2  0  0  0
   -6.4920    0.7635    0.0000 C   0  0  1  0  0  0
   -5.1903    1.5090    0.0000 C   0  0  2  0  0  0
   -3.8939    0.7546    0.0000 O   0  0
   -5.1883    3.0099    0.0000 C   0  0
   -6.4858    3.7625    0.0000 O   0  0
   -7.7884    1.5180    0.0000 O   0  0
   -7.7988   -1.4820    0.0000 O   0  0
   -5.2059   -2.9909    0.0000 N   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0  1  0  0  0
   -3.8056    3.8679    0.0000 C   0  0  1  0  0  0
   -3.3372    5.2929    0.0000 C   0  0  1  0  0  0
   -1.8372    5.2877    0.0000 C   0  0  2  0  0  0
   -1.3786    3.8595    0.0000 O   0  0
   -0.9548    6.4986    0.0000 C   0  0
   -1.5622    7.8701    0.0000 O   0  0
   -4.2161    6.5062    0.0000 O   0  0
   -5.7091    6.3524    0.0000 C   0  0  2  0  0  0
   -6.5908    7.5659    0.0000 C   0  0  1  0  0  0
   -8.0826    7.4091    0.0000 C   0  0  2  0  0  0
   -8.6927    6.0388    0.0000 C   0  0  1  0  0  0
   -7.8110    4.8252    0.0000 C   0  0  1  0  0  0
   -6.3192    4.9820    0.0000 O   0  0
   -8.4243    3.4554    0.0000 C   0  0
   -9.9163    3.3007    0.0000 N   0  0
  -10.1845    5.8820    0.0000 O   0  0
   -8.9643    8.6226    0.0000 O   0  0
   -5.9808    8.9362    0.0000 N   0  0
   -4.7559    3.5566    0.0000 O   0  0
    0.0000    3.0000    0.0000 O   0  0
    2.5981    1.5000    0.0000 N   0  0
    6.3987    4.4681    0.0000 O   0  0
    6.3987    2.9681    0.0000 S   0  0
    5.0994    2.2185    0.0000 O   0  0
    7.6980    2.2185    0.0000 O   0  0
    6.3987    1.4681    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  6
  5  8  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
 13 15  1  1
 15 16  1  0
 12 17  1  6
 11 18  1  1
 10 19  1  6
  4 20  1  6
 21 20  1  1
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 21  1  0
 24 26  1  1
 26 27  1  0
 23 28  1  6
 29 28  1  1
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
 33 35  1  1
 35 36  1  0
 32 37  1  1
 31 38  1  6
 30 39  1  1
 22 40  1  6
  3 41  1  1
  2 42  1  6
 43 44  1  0
 44 45  2  0
 44 46  2  0
 44 47  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11508

> <plate>
PLATE 007

> <well>
H8

> <supplier_cmpd_name>
Paromomycin Sulfate

> <ctcr_id>
5106

> <supplier_cmpd_id>
T1104

> <smiles>
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N.OS(=O)(=O)O

> <pd_targets>
{CASR,TRPV1,LEF,MEN1,REV,LRAT,RPSL,CXCR4}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel",Enzyme,"Unclassified protein","Other cytosolic protein","Family C G protein-coupled receptor","Voltage-gated ion channel",Protease,Transferase,"Family A G protein-co
upled receptor","Ion receptor (family C GPCR)","Transient receptor potential channel","Metallo protease","Peptide receptor (family A GPCR)","Calcium sensing receptor","Metallo protease MAE clan","Chem
okine receptor","Metallo protease M34 family","CXC chemokine receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Calcium-sensing receptor","Transient Receptor Potential channels","Chemokine receptors"}

> <pathway_reactome>
{"Signal Transduction","Transport of small molecules",Disease,"Gene expression (Transcription)","Signaling by GPCR","Ion channel transport","Infectious disease","RNA Polymerase II Transcription","GPCR
 downstream signalling","Stimuli-sensing channels","Uptake and actions of bacterial toxins","Generic Transcription Pathway","HIV Infection","G alpha (i) signalling events","TRP channels","Uptake and f
unction of anthrax toxins","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","HIV Life Cycle","SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription","Visual phototransduction","Early Phas
e of HIV Life Cycle","The canonical retinoid cycle in rods (twilight vision)","Binding and entry of HIV virion"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW86,"RESTW 86",CHEMBL4303258,HMS2097N15,HMS3714N15,CCG-220867,CCG220867,"CCG 220867",Prestw-867,"Paromomycin sulfate"}

> <pdid>
PD007969

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{51371427}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
    2.5800    0.0305    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
  -11.6975    3.7386    0.0000 F   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
   -6.4964   -0.7598    0.0000 C   0  0
   -7.7931   -1.5140    0.0000 C   0  0
   -7.7884   -3.0140    0.0000 C   0  0
   -6.4871   -3.7599    0.0000 C   0  0
   -6.4824   -5.2599    0.0000 F   0  0
   -5.1904   -3.0059    0.0000 C   0  0
   -5.1950   -1.5059    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2643   -2.2302    0.0000 C   0  0
    2.5453   -3.0105    0.0000 C   0  0
    2.5101   -4.5101    0.0000 C   0  0
    1.1938   -5.2294    0.0000 C   0  0
    1.1586   -6.7290    0.0000 Cl  0  0
   -0.0872   -4.4491    0.0000 C   0  0
   -0.0520   -2.9495    0.0000 C   0  0
   -1.4043   -5.1688    0.0000 C   0  0
   -1.4404   -6.6683    0.0000 F   0  0
   -2.6851   -4.3881    0.0000 F   0  0
   -2.7209   -5.8874    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  9 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
  5 24  1  0
 24 25  1  0
 25  2  1  0
  2 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 26  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11509

> <plate>
PLATE 007

> <well>
H9

> <supplier_cmpd_name>
Penfluridol

> <ctcr_id>
5617

> <supplier_cmpd_id>
T1105

> <smiles>
OC1(CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC1)c4ccc(Cl)c(c4)C(F)(F)F

> <pd_targets>
{SCN10A,FFP,HTR2A,DRD2,HTR7,DRD4,HTR2C,RORC,HTR6,REP,DRD1,DRD3,DRD5,KCNK2,HRH1,OPRK1,OPRD1,HRH2,SLC6A4,HTR2B,HTR1A,SLC6A2,ADRA2B,HTR5A,ADRA2C,HTR1D,ADRB3,OPRM1,SLC6A3,ADRA1D}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Membrane receptor","Transcription factor",Transporter,"Voltage-gated ion channel",Transferase,"Family A G protein-coupled receptor","Nuclear receptor","Electrochemical transport
er","Voltage-gated sodium channel","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Potassium channels","Peptide receptor (family A GPCR)","SLC superfamily of solute c
arriers","Monoamine receptor","Nuclear hormone receptor subfamily 1 group F","Two-pore domain potassium channel","Short peptide receptor (family A GPCR)","SLC06 neurotransmitter transporter family","S
erotonin receptor","Dopamine receptor","Nuclear hormone receptor subfamily 1 group F member 3","Histamine receptor","Opioid receptor","Adrenergic receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,"Other protein targets",Transporters,"Voltage-gated ion channels","G protein-coupled receptors","Nuclear hormone receptors","Anti-infective targets","SLC superfamily of solut
e carriers","Voltage-gated sodium channels","5-Hydroxytryptamine receptors","Dopamine receptors","1F. Retinoic acid-related orphans","Viral protein targets","Potassium channels","Histamine receptors",
"Opioid receptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"Coronavirus (CoV) proteins","Two P domain potassium channels","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Disease,"Gene expression (Transcription)","Neuronal System","Nervous system development","Signaling by GPCR","Infectious disease","RNA Polymerase II Tran
scription","Potassium Channels","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Axon guidance","GPCR ligand binding","Leishmania infection","Generic Transcription Pa
thway","SARS-CoV Infections","Tandem pore domain potassium channels","Neurotransmitter clearance","SLC transporter disorders","GPCR downstream signalling","L1CAM interactions","Class A/1 (Rhodopsin-li
ke receptors)","Leishmania parasite growth and survival","Transcriptional regulation by RUNX3","SARS-CoV-2 Infection","TWIK related potassium channel (TREK)","Transcriptional Regulation by MECP2","Ser
otonin clearance from the synaptic cleft","Defective SLC6A2 causes orthostatic intolerance (OI)","G alpha (i) signalling events","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Inte
raction between L1 and Ankyrins","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","RUNX3 Regulates Immune Response and Cell Migration","SARS-CoV-2 
Genome Replication and Transcription","MECP2 regulates neuronal receptors and channels","Peptide ligand-binding receptors","Opioid Signalling","Serotonin receptors","Dopamine receptors","ADORA2B media
ted anti-inflammatory cytokines production","Replication of the SARS-CoV-2 genome","Histamine receptors",Adrenoceptors,"G-protein activation"}

> <broad_targets>
{CACNA1G}

> <broad_moa>
{"T-type calcium channel blocker"}

> <synonyms>
{26864-56-2,26864562,"26864 56 2",Semap,TLP-607,TLP607,"TLP 607","McN-JR-16,341","McNJR16,341","McN JR 16,341",UNII-25TLU22Q8H,UNII25TLU22Q8H,"UNII 25TLU22Q8H","R 16341",CHEMBL47050,25TLU22Q8H,MFCD008
66714,NCGC00165865-01,NCGC0016586501,"NCGC00165865 01",DSSTox_CID_28947,DSSToxCID28947,DSSTox-CID-28947,"DSSTox CID 28947",DSSTox_RID_83212,DSSToxRID83212,DSSTox-RID-83212,"DSSTox RID 83212",DSSTox_GS
ID_49021,DSSToxGSID49021,DSSTox-GSID-49021,"DSSTox GSID 49021",C28H27ClF5NO,"R 16,341",Penfluridolum,"Penfluridolum (INN-Latin)","Penfluridolum (INNLatin)","Penfluridolum (INN Latin)",T1105,S4151,Penf
luridol}

> <pdid>
PD000332

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{33630}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
   10.0885   -4.5769    0.0000 C   0  0
    9.5757   -3.1673    0.0000 C   0  0
    8.0979   -2.9056    0.0000 O   0  0
    7.5847   -1.4952    0.0000 C   0  0
    8.5494   -0.3466    0.0000 O   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
    1.0157    5.5663    0.0000 Cl  0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  2  3
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 12  1  0
 27 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11510

> <plate>
PLATE 007

> <well>
H10

> <supplier_cmpd_name>
Loratadine

> <ctcr_id>
2087

> <supplier_cmpd_id>
T1097

> <smiles>
CCOC(=O)N1CCC(CC1)=C2c3ccc(Cl)cc3CCc4cccnc24

> <pd_targets>
{MAPK1,HRH1,CYP2C19,BLM,NPSR1,KCNH2,KMT2A,MEN1,LMNA,PMP22,TP53,CYP2C9,GMNN,CYP2C8,MAPT,ALOX15,THPO,TSHR,NR1H4,SLC6A15,CYP3A4,HIF1A,CHRM1,CYP2D6,RORC,NR1I2,ABCB1,MTOR,ABCB11,KCNK9,CACNA1C,CACNA1D,CACNA
1F,CACNA1S,HTR2B}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel","Epigenetic regulator","Other nuclear protein","Unclassified protein","Transcription factor","Other cytosolic protein",Transporter,Kinase,"Family A G protein-
coupled receptor",Protease,"Cytochrome P450","Voltage-gated ion channel",Reader,Oxidoreductase,"Nuclear receptor","Electrochemical transporter","Primary active transporter","Protein Kinase","Small mol
ecule receptor (family A GPCR)","Cysteine protease","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Potassium channels",Bromodomain,"Nuclear hormone receptor subfamily 1","SLC superfami
ly of solute carriers","Cytochrome P450 family 3","ATP-binding cassette","Voltage-gated calcium channel","CMGC protein kinase group","Monoamine receptor","Cysteine protease CA clan","Cytochrome P450 f
amily 2C","Short peptide receptor (family A GPCR)","Voltage-gated potassium channel","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group H","SLC06 neurotransmitter transporter family",
"Cytochrome P450 family 3A","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group I","ABCB subfamily","Atypical protein kinase group","
Two-pore domain potassium channel","CMGC protein kinase MAPK family","Histamine receptor","Cysteine protease C1A family","Cytochrome P450 2C19","Neuropeptide receptor","Cytochrome P450 2C9","Cytochrom
e P450 2C8","Nuclear hormone receptor subfamily 1 group H member 4","Cytochrome P450 3A4","Acetylcholine receptor","Cytochrome P450 2D6","Nuclear hormone receptor subfamily 1 group F member 3","Nuclea
r hormone receptor subfamily 1 group I member 2","Atypical protein kinase PIKK family","Serotonin receptor","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels",Transporters,"Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cytochrome P450","Voltage-gated ion channels","Eicosanoid turnover","Nuclear hormone receptors","SL
C superfamily of solute carriers","ATP-binding cassette transporter family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Histamine receptors","CYP2 family: drug metabolising subset","Neuropeptide 
S receptor","Potassium channels",Lipoxygenases,"Glycoprotein hormone receptors","1H. Liver X receptor-like receptors","SLC6 neurotransmitter transporter family","CYP3 family","Acetylcholine receptors 
(muscarinic)","1F. Retinoic acid-related orphans","1I. Vitamin D receptor-like receptors","ABCB subfamily",Atypical,"5-Hydroxytryptamine receptors","Mitogen-activated protein kinases (MAP kinases)","V
oltage-gated potassium channels","Neutral amino acid transporter subfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Two P domain potassium channels","ERK subfamily","FRAP subf
amily"}

> <pathway_reactome>
{"Immune System","Signal Transduction",Metabolism,"DNA Repair",Disease,"Muscle contraction","Cell Cycle","Developmental Biology","Neuronal System",Hemostasis,"Transport of small molecules","Cellular r
esponses to external stimuli","Gene expression (Transcription)","Metabolism of proteins","Innate Immune System","Signaling by GPCR","Biological oxidations","DNA Double-Strand Break Repair","Infectious
 disease","Cardiac conduction",Mitotic,"Nervous system development","Cell Cycle Checkpoints","Transmission across Chemical Synapses","Metabolism of lipids","Platelet activation","signaling and aggrega
tion","SLC-mediated transmembrane transport","Cellular responses to stress","RNA Polymerase II Transcription","Post-translational protein modification","Abacavir transport and metabolism","Potassium C
hannels","Toll-like Receptor Cascades","GPCR ligand binding","Phase I - Functionalization of compounds","Homology Directed Repair","Leishmania infection","Phase 3 - rapid repolarisation","M Phase","EG
R2 and SOX10-mediated initiation of Schwann cell myelination","G1/S DNA Damage Checkpoints","Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","Bi
osynthesis of specialized proresolving mediators (SPMs)","Platelet Aggregation (Plug Formation)","Metabolism of steroids","Transport of bile salts and organic acids","metal ions and amine compounds","
Cellular response to hypoxia","Generic Transcription Pathway",SUMOylation,"Abacavir transmembrane transport","Tandem pore domain potassium channels","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (R
hodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Mitoti
c Metaphase and Anaphase","p53-Dependent G1/S DNA damage checkpoint","G1/S Transition","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DPA-derived SPMs","Bile acid and bile sal
t metabolism","Na+/Cl- dependent neurotransmitter transporters","Biosynthesis of DHA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional regulatio
n by RUNX3","SUMO E3 ligases SUMOylate target proteins","Transcriptional Regulation by TP53","TWIK-releated acid-sensitive K+ channel (TASK)","MyD88 cascade initiated on plasma membrane","Amine ligand
-binding receptors",Xenobiotics,"HDR through Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","p53-Dependent G1 DNA Damage Respon
se","Activation of the pre-replicative complex","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","Synthesis of bile acids and bile salts","Biosynthesis of maresins","RUNX3 Regulate
s Immune Response and Cell Migration","SUMOylation of intracellular receptors","Regulation of TP53 Activity","MAP kinase activation","Histamine receptors","CYP2E1 reactions","Homologous DNA Pairing an
d Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3
-derived protectins and resolvins","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Biosynthesis of maresin-like SPMs","Muscarinic acetylcholine receptors","Regulation of TP53 Expre
ssion and Degradation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Serotonin receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homolog
ous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are i
nactivated"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{loratadine,79794-75-5,79794755,Claritin,Loratidine,Alavert,Clarityn,Lisino,Clarityne,Loracert,Loradex,Bonalerg,Claritine,Fristamin,Histaloran,Lertamine,Lorastine,Civeran,Loranox,Versal,"Sch 29851",An
hissen,Sch-29851,Sch29851,UNII-7AJO3BO7QN,UNII7AJO3BO7QN,MFCD00672869,C22H23Cl,T1097,S1358,SAM001246987,1503712,Prestw-1432,Loratadine,CPD000058255,LORATADINE}

> <pdid>
PD000883

> <targets>
{Histamine Receptor,Influenza Virus}

> <classes>
{H1 antihistamine,Neuronal Signaling,Anti-infection,GPCR/G Protein,Immunology/Inflammation}

> <pubchem_cids>
{3957}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -3.9149    9.7490    0.0000 C   0  0
   -5.2157   10.4975    0.0000 C   0  0
   -5.2188   11.9983    0.0000 C   0  0
   -3.9211   12.7522    0.0000 C   0  0
   -3.9242   14.2522    0.0000 C   0  0
   -2.6202   12.0053    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
  5 19  2  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11511

> <plate>
PLATE 007

> <well>
H11

> <supplier_cmpd_name>
Zucapsaicin

> <ctcr_id>
1724

> <supplier_cmpd_id>
T1109

> <smiles>
COc1cc(CNC(=O)CCCC\C=C/C(C)C)ccc1O

> <pd_targets>
{TRPV1,HSD17B10,ALDH1A1,KCNA1,TRPV2,TRPV4,LMNA,YARS1,MAPT,PTGS1,MAPK1,CYP3A4,ALOX15,MT-ND1,KCNA7,KCNA2,RORC,ALOX5,KMT2A,MEN1,TRPM8,CYP1A2,KCNC1,CFTR,TP53,CYP2D6,CYP2C19,CYP2C9,LEF,CASP1,KDM4E,GAA}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other nuclear protein","Other cytosolic protein","Transcription factor","Epigenetic regulator","Voltage-gated ion channel",Oxidoreductase,Ligase,Kinase,"Cytochrome P450","Nuclea
r receptor",Reader,"Other ion channel","Transient receptor potential channel","Potassium channels","Protein Kinase","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1",Bromodomain,"Cytoc
hrome P450 family 1","Chloride channel","Voltage-gated potassium channel","CMGC protein kinase group","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family
 1A","Cystic fibrosis transmembrane conductance regulator","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1","CMGC p
rotein kinase ERK1",Protease,Eraser,Hydrolase,"Cytochrome P450 family 2","Cysteine protease","Metallo protease","Lysine demethylase","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Cysteine p
rotease CA clan","Metallo protease MAE clan","Cysteine protease CD clan","Jumonji domain-containing","Cytochrome P450 2D6","Cytochrome P450 2C19","Cysteine protease C1A family","Cytochrome P450 2C9","
Metallo protease M34 family","Cysteine protease C14 family"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Voltage-gated ion channels","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","Nuclear hormone receptors","Other ion channels","Transient Receptor Poten
tial channels","Potassium channels",Cyclooxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family",Lipoxygenases,"1F. Retinoic acid-related orphans","CYP1 family","Chloride channels","Vo
ltage-gated potassium channels","Mitogen-activated protein kinases (MAP kinases)",CFTR,"ERK subfamily","Peptidases and proteinases","Chromatin modifying enzymes","3.2.1.- Glycosidases","CYP2 family: d
rug metabolising subset","CD: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","C14: Caspase"}

> <pathway_reactome>
{"Transport of small molecules",Metabolism,"Neuronal System","Cell Cycle","Metabolism of proteins","Immune System","Gene expression (Transcription)",Autophagy,"Ion channel transport","Metabolism of am
ino acids and derivatives","Biological oxidations","Potassium Channels",Mitotic,Translation,"Transmission across Chemical Synapses","Metabolism of lipids","Innate Immune System","The citric acid (TCA)
 cycle and respiratory electron transport","RNA Polymerase II Transcription",Macroautophagy,"Stimuli-sensing channels","Branched-chain amino acid catabolism","Phase I - Functionalization of compounds"
,"Voltage gated Potassium channels","M Phase","tRNA Aminoacylation","Neurotransmitter receptors and postsynaptic signal transmission","Fatty acid metabolism","Toll-like Receptor Cascades","Biosynthesi
s of specialized proresolving mediators (SPMs)","Respiratory electron transport","ATP synthesis by chemiosmotic coupling","and heat production by uncoupling proteins.","Generic Transcription Pathway",
"Selective autophagy","TRP channels","Ethanol oxidation","Mitotic Metaphase and Anaphase","Cytosolic tRNA aminoacylation","Activation of NMDA receptors and postsynaptic events","Arachidonic acid metab
olism","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type",
Aggrephagy,"Mitotic Anaphase","Post NMDA receptor activation events","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","B
iosynthesis of DPAn-3 SPMs","Complex I biogenesis","RUNX3 Regulates Immune Response and Cell Migration",Xenobiotics,"Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","MAP ki
nase activation","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of DPAn-3-derived 13-series resolvins","Aromatic amines can be N-hydroxylat
ed or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated",Disease,"Cell Cycle Ch
eckpoints","Infectious disease","Diseases of metabolism","G1/S DNA Damage Checkpoints","Uptake and actions of bacterial toxins","Diseases of carbohydrate metabolism","p53-Dependent G1/S DNA damage che
ckpoint","Uptake and function of anthrax toxins","Transcriptional Regulation by TP53","Glycogen storage diseases","p53-Dependent G1 DNA Damage Response","TP53 Regulates Transcription of Cell Death Gen
es","Glycogen storage disease type II (GAA)","Stabilization of p53","CYP2E1 reactions","TP53 Regulates Transcription of Caspase Activators and Caspases","Autodegradation of the E3 ubiquitin ligase COP
1"}

> <broad_targets>
{CFTR,TRPV1}

> <broad_moa>
{"TRPV agonist"}

> <synonyms>
{Zucapsaicin,25775-90-0,25775900,Civamide,cis-Capsaicin,cisCapsaicin,(Z)-Capsaicin,(Z)Capsaicin,(Z)-N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide,(Z)N(4Hydroxy3methoxybenzyl)8methylnon6enamide,U
NII-15OX67P384,UNII15OX67P384,(Z)-N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methylnon-6-enamide,(Z)N((4hydroxy3methoxyphenyl)methyl)8methylnon6enamide,15OX67P384,"BRN 4261852",Civanex,(6Z)-N-((4-hyd,(6Z
)N((4hyd,T1109,T1062,SAM001246970,Capsaicin,CPD000449294}

> <pdid>
PD001884

> <targets>
{HSV,TRP Channel}

> <classes>
{Anti-infection,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{1548942}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 31  0  0  0  0            999 V2000
   12.5987   -4.5184    0.0000 H   0  3
   10.0987   -4.5184    0.0000 H   0  3
    7.5987   -4.5184    0.0000 Cl  0  5
    5.0987   -4.5184    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 N   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -2.5775   -7.5047    0.0000 C   0  0
   -1.2739   -8.2485    0.0000 C   0  0
    0.0229   -7.4945    0.0000 C   0  0
    1.3242   -8.2405    0.0000 C   0  0
    1.3289   -9.7405    0.0000 C   0  0
    0.0322  -10.4945    0.0000 C   0  0
   -1.2692   -9.7485    0.0000 C   0  0
   -3.8738   -8.2610    0.0000 C   0  0
   -5.1778   -7.5196    0.0000 C   0  0
   -6.4719   -8.2780    0.0000 C   0  0
   -6.4621   -9.7780    0.0000 C   0  0
   -7.7563  -10.5365    0.0000 Cl  0  0
   -5.1582  -10.5195    0.0000 C   0  0
   -3.8641   -9.7610    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 18 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 25  1  0
 10 32  2  0
 32  6  1  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11512

> <plate>
PLATE 008

> <well>
A2

> <supplier_cmpd_name>
Meclizine dihydrochloride

> <ctcr_id>
165

> <supplier_cmpd_id>
T1110

> <smiles>
[H+].[H+].[Cl-].[Cl-].Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1

> <pd_targets>
{HIF1A,GAA,NR1I3,HPN,KMT2A,MEN1,ALD,ALOX15,RORC,CYP3A4,LMNA,MAPK1,HRH1,CYP2D6,CYP2C19,CYP1A2}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator","Other nuclear protein","Membrane receptor",Hydrolase,"Nuclear receptor",Protease,Reader,Oxidoreductase,"Cytochrome P450",Kinase,"Family A G prote
in-coupled receptor","Nuclear hormone receptor subfamily 1","Serine protease",Bromodomain,"Cytochrome P450 family 3","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 
2","Cytochrome P450 family 1","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","CMGC protein kinase group","Monoamine receptor"
,"Cytochrome P450 family 2D","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group I member 3","Nuclear hormone receptor subfamily 1 group F member 3","Cy
tochrome P450 3A4","CMGC protein kinase MAPK family","Histamine receptor","Cytochrome P450 2D6","Cytochrome P450 2C19","Cytochrome P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"3.2.1.- Glycosidases","Nuclear hormone receptors","Eicosanoid turnover","Cytochrome P450","Kinases (EC 2.7.x.x)","G protein-coupled receptors","1I. Vitamin D receptor-like receptor
s",Lipoxygenases,"1F. Retinoic acid-related orphans","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Histamine receptors","CYP2 family: drug metabolising subset","CYP1 family","Mitogen-
activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Disease,"Gene expression (Transcription)","Signal Transduction",Metabolism,"Cell Cycle","Immune System","Cellular responses to stress","Diseases of metabolism
","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids",Mitotic,"Innate Immune System","Signaling by GPCR","Biological oxidations","Cellular response to hyp
oxia","Diseases of carbohydrate metabolism","Generic Transcription Pathway","Signaling by MET","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Toll-like Receptor Cascades","GPCR
 ligand binding","Phase I - Functionalization of compounds","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Glycogen storage diseases","Nuclear Receptor transcription pathw
ay","MET Receptor Activation","Biosynthesis of DPA-derived SPMs","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) 
Cascade","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Glycogen storage disease type II (GAA)","Biosynthesis of DPAn-3 SPMs","RUNX3 Regulates Immune Response a
nd Cell Migration","Biosynthesis of maresins","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Amine ligand-binding receptors",Xenobiotics,"Biosynthesis of DPAn-3-derived protectins an
d resolvins","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","MAP kinase activation","Histamine receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkyl
ated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{NR1I3}

> <broad_moa>
{"constitutive androstane receptor (CAR) agonist"}

> <synonyms>
{"Meclizine dihydrochloride",1104-22-9,1104229,"Meclozine dihydrochloride","Meclizine hydrochloride",Bonamine,Postafen,Diadril,Vertizine,Taizer,V-Cline,VCline,"meclizine diHCl","Meclizine (dihydrochlo
ride)","Ancolan dihydrochloride",Postafene,1500376,Prestw-457,"MECLIZINE HYDROCHLORIDE"}

> <pdid>
PD010049

> <targets>
{}

> <classes>
{antiemetic}

> <pubchem_cids>
{64713,51358256}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 10  0  0  0  0            999 V2000
    5.0987   -1.8751    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  3
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2494    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11513

> <plate>
PLATE 008

> <well>
A3

> <supplier_cmpd_name>
2-Pyridinealdoxime methochloride

> <ctcr_id>
5874

> <supplier_cmpd_id>
T1111

> <smiles>
[Cl-].C[n+]1ccccc1C=NO

> <pd_targets>
{ACHE,KDM4E,TSHR,BCHE}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor",Hydrolase,Eraser,"Family A G protein-coupled receptor","Lysine demethylase","Peptide receptor (family A GPCR)","Jumonji domain-containing","Glycohorm
one receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Acetylcholine turnover","Chromatin modifying enzymes","G protein-coupled receptors","1.14.11.- Histone demethylases","Glycoprotein hormone receptors"}

> <pathway_reactome>
{Metabolism,Disease,"Metabolism of lipids","Infectious disease","Phospholipid metabolism","Leishmania infection","Glycerophospholipid biosynthesis","Leishmania parasite growth and survival","Synthesis
 of PC","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{ACHE,BCHE}

> <broad_moa>
{"acetylcholinesterase inhibitor"}

> <synonyms>
{T1111,Prestw-943,"2-Pyridinealdoxime methochloride","Pralidoxime chloride"}

> <pdid>
PD010052

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{45006123}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    5.0994   -0.7505    0.0000 N   0  0
    6.3987   -0.0009    0.0000 C   0  0
    7.6987   -0.7509    0.0000 C   0  0
    8.9980   -0.0013    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  3
  9  2  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11514

> <plate>
PLATE 008

> <well>
A4

> <supplier_cmpd_name>
Ciclopirox ethanolamine

> <ctcr_id>
1754

> <supplier_cmpd_id>
T1114

> <smiles>
CC1=CC(=O)N(O)C(=C1)C2CCCCC2.NCCO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ATP1A1}

> <broad_moa>
{"membrane integrity inhibitor"}

> <synonyms>
{"Ciclopirox olamine",41621-49-2,41621492,"Ciclopirox ethanolamine",ciclopiroxolamine,Batrafen,Ciclopiroxolamin,"Ciclopirox (olamine)",Mycoster,"HOE 296",UNII-50MD4SB4AP,UNII50MD4SB4AP,"Ciclopirox eth
anolamine salt (1:1)",MFCD00078997,50MD4SB4AP,"Ciclobirox O",T1114,C0415,1500189,Prestw-541,ciclopirox,"CICLOPIROX OLAMINE"}

> <pdid>
PD003531

> <targets>
{Bacterial,Ferroptosis,Fungal}

> <classes>
{antifungal,Anti-infection,Apoptosis}

> <pubchem_cids>
{38911}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 28  0  0  0  0            999 V2000
    9.0991   -0.7603    0.0000 C   0  0
    7.7988   -1.5080    0.0000 N   0  0
    7.7966   -3.0080    0.0000 C   0  0
    6.4999   -0.7561    0.0000 C   0  0
    5.1988   -1.5042    0.0000 C   0  0
    3.8999   -0.7523    0.0000 O   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.6001   -0.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5996   -3.0013    0.0000 C   0  0
    1.3010   -3.7520    0.0000 C   0  0
    1.3018   -5.2520    0.0000 C   0  0
    2.6012   -6.0013    0.0000 C   0  0
    3.8998   -5.2506    0.0000 C   0  0
    3.8990   -3.7506    0.0000 N   0  0
   12.8998   -0.3757    0.0000 O   0  0
   12.8998   -1.8757    0.0000 C   0  0
   11.6006   -2.6252    0.0000 O   0  0
   14.1998   -2.6257    0.0000 C   0  0
   15.4998   -1.8757    0.0000 C   0  0
   16.7998   -2.6257    0.0000 C   0  0
   16.7998   -4.1257    0.0000 O   0  0
   18.0991   -1.8761    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  7 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11515

> <plate>
PLATE 008

> <well>
A5

> <supplier_cmpd_name>
Doxylamine succinate

> <ctcr_id>
5924

> <supplier_cmpd_id>
T1115

> <smiles>
CN(C)CCOC(C)(c1ccccc1)c2ccccn2.OC(=O)CCC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Doxylamine succinate",562-10-7,562107,"562 10 7",Decapryn,"Doxylamine (succinate)","Doxylamine succinate salt","Evigoa D","A-H Injection","AH Injection","A H Injection","Decapryn Succinate",Unisom,"
Doxylamine hydrogen succinate",D,T1115,SAM001247030,1500267,Prestw-27,CPD000058436,"DOXYLAMINE SUCCINATE"}

> <pdid>

> <targets>
{}

> <classes>
{hypnotic,antihistaminic}

> <pubchem_cids>
{11224,43833352}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5966    1.5042    0.0000 C   0  0
   -3.8990    0.7582    0.0000 C   0  0
   -5.1966    1.5123    0.0000 N   0  0
   -6.5510    0.8979    0.0000 C   0  0
   -7.5493    2.0175    0.0000 C   0  0
   -6.7930    3.3128    0.0000 N   0  0
   -5.3273    2.9938    0.0000 C   0  0
   -2.5949    3.0050    0.0000 O   0  0
   -3.8934    3.7577    0.0000 C   0  0
   -3.8917    5.2585    0.0000 C   0  0
   -5.1894    6.0108    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
  6 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
  5 17  1  0
 17 18  1  0
 17 19  2  0
 19  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11516

> <plate>
PLATE 008

> <well>
A6

> <supplier_cmpd_name>
Imazalil

> <ctcr_id>
1452

> <supplier_cmpd_id>
T1113

> <smiles>
Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1

> <pd_targets>
{IDO1,LMNA,RORC}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor",Oxidoreductase,"Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor
 subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"1.13.11.- Dioxygenases","Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Gene expression (Transcription)","Metabolism of amino acids and derivatives",Mitotic,"RNA Polymerase II Transcription","Tryptophan catabolism","M Phase","Generic Transcriptio
n Pathway","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3","Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Nuclear Envelope (NE) Reassembly","Initiation
 of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CYP19A1,CYP1A2,CYP2B6,CYP2C9,CYP2J2,CYP3A4,CYP3A5,NR1I2,PPARA,PTGER2}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{IMAZALIL,Enilconazole,35554-44-0,35554440,Deccozil,Chloramizol,Fungaflor,Imaverol,Clinafarm,"Eniloconazol (SP)","Deccozil S 75","Enilconazole (BPC)",Florasan,Fungazil,Magnate,"1-(2-(Allyloxy)-2-(2,4-
dichlorophenyl)ethyl)-1H-imidazole","1(2(Allyloxy)2(2,4dichlorophenyl)ethyl)1Himidazole",1H-Imidazole,1HImidazole,1,T1113,Prestw-963,Imazalil}

> <pdid>
PD013183

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{37175}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    6.3990    2.2504    0.0000 Cl  0  0
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -0.0072    7.5009    0.0000 F   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1968    1.5003    0.0000 N   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -7.7974    2.9963    0.0000 N   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 F   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  7 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 17 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 15  1  0
 27 28  1  0
 28  5  1  0
 28 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11517

> <plate>
PLATE 008

> <well>
A7

> <supplier_cmpd_name>
Sarafloxacin hydrochloride

> <ctcr_id>
2383

> <supplier_cmpd_id>
T1107

> <smiles>
Cl.OC(=O)C1=CN(c2ccc(F)cc2)c3cc(N4CCNCC4)c(F)cc3C1=O

> <pd_targets>
{LMNA,KDM4E,HSD17B10,ALDH1A1,HPGD}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator",Enzyme,Eraser,Oxidoreductase,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Eicosanoid turnover","1.14.11.- Histone demethylases","Prostaglandin synthases"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Mitotic,"Metabolism of amino acids and derivatives","Biological oxidations","Metabolism of lipids","M Phase","Branched-chain amino acid catabolism","Phase I - Functionalizatio
n of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic Metaphase and Anaphase","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Mitotic Anaphase","Biosynthesis of 
D-series resolvins","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{SCHEMBL312072,AKOS026750026,"SARAFLOXACIN HYDROCHLORIDE",91296-87-6,91296876,"91296 87 6","Sarafloxacin HCl","Sarafloxacin (hydrochloride)",UNII-I36JP4Q9DF,UNIII36JP4Q9DF,"UNII I36JP4Q9DF",Saraflox,A
BBOTT-56620,ABBOTT56620,AB,1505314}

> <pdid>
PD013305

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{66650194,56207}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
   -0.4763   -3.7706    0.0000 C   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.8949   -4.8318    0.0000 O   0  0
    1.6281   -2.2462    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 S   0  0
   -2.6394    0.8543    0.0000 N   0  3
   -3.7527   -0.1510    0.0000 O   0  0
   -2.9539    2.3210    0.0000 O   0  5
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
M  CHG  2  10   1  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11518

> <plate>
PLATE 008

> <well>
A8

> <supplier_cmpd_name>
Nithiamide

> <ctcr_id>
11003

> <supplier_cmpd_id>
T1108

> <smiles>
CC(=O)Nc1ncc(s1)[N+](=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA inhibitor"}

> <synonyms>
{Nithiamide,2-Acetamido-5-nitrothiazole,2Acetamido5nitrothiazole,140-40-9,140409,Aminitrozole,Acinitrazole,Nitazole,Tritheon,Gynofon,Ametoterina,Aminitrozol,Lavoflagin,Pleocide,Trichlorad,Trichocid,Tr
ichoman,Trichoral,Tricogen,Tricoral,Trikolaval,Nitasol,Nitazol,"Acetyl enhept",T1108}

> <pdid>
PD000403

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{8798}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 14  0  0  1  0            999 V2000
    4.8823   -2.5608    0.0000 C   0  0
    6.3509   -2.2515    0.0000 C   0  0
    7.8187   -1.9424    0.0000 C   0  0
    3.8794   -1.4442    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
  1  2  1  0
  2  3  3  0
  1  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  1  0
 13  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11519

> <plate>
PLATE 008

> <well>
A9

> <supplier_cmpd_name>
Rasagiline

> <ctcr_id>
11004

> <supplier_cmpd_id>
T1119

> <smiles>
C(C#C)N[C@H]1c2ccccc2CC1

> <pd_targets>
{MAOB,MAOA,ACHE,BCHE,BCL2}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,"Ion channel",Hydrolase,"Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{Enzymes,"Catecholamine turnover","Other protein targets","Acetylcholine turnover","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Amine Oxidase reactions","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Immune System","Met
abolism of lipids","Innate Immune System","Phospholipid metabolism","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Glycerophospholipid biosynthesis",In
flammasomes,"Synthesis of PC","The NLRP1 inflammasome"}

> <broad_targets>
{BCL2,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{rasagiline,136236-51-6,136236516,"(R)-N-(2-Propynyl)-2,3-dihydroinden-1-amine","(R)N(2Propynyl)2,3dihydroinden1amine",Azilect,(R)-N-2-Propynyl-1-indanamine,(R)N2Propynyl1indanamine,"(R)-2,3-dihydro-N
-2-propynyl-1H-inden-1-amine","(R)2,3dihydroN2propynyl1Hinden1amine","1-Indanamine, N-2-propynyl-, (R)-","1Indanamine, N2propynyl, (R)",(1R)-N-(prop-2-yn-1-yl)-2,(1R)N(prop2yn1yl)2,3-dihydro-1H-inden-
1-amine,3dihydro1Hinden1amine,T1119,Rasagiline}

> <pdid>
PD006676

> <targets>
{Bcl-2,MAO-A,MAO-B}

> <classes>
{Apoptosis,Metabolism}

> <pubchem_cids>
{3052776}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 34  0  0  1  0            999 V2000
    2.6018   -5.9994    0.0000 C   0  0
    3.9008   -5.2492    0.0000 O   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    6.4939   -0.7411    0.0000 O   0  0
    6.4894    0.7589    0.0000 C   0  0
    5.1993   -2.9963    0.0000 C   0  0
    6.4987   -3.7473    0.0000 O   0  0
    6.4990   -5.2473    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.3114    2.9665    0.0000 C   0  0
    1.8032    3.1233    0.0000 O   0  0
    2.4133    1.7530    0.0000 C   0  0
    3.8805    1.4410    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.7124   -4.0030    0.0000 O   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -1.6105   -5.2165    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 11 12  1  0
 13  5  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  1  0
 14 18  1  6
 18 19  2  0
 15 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 24  2  0
 28 29  1  0
 29 30  2  0
 30 13  1  0
 30 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11520

> <plate>
PLATE 008

> <well>
A10

> <supplier_cmpd_name>
Podophyllotoxin

> <ctcr_id>
3422

> <supplier_cmpd_id>
T1121

> <smiles>
COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24

> <pd_targets>
{TUBB2B,TUBA1A,LMNA,HIF1A,CYP3A4,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,E2,LEF,NR3C1,CYP2C19,NR0B1,CYP2C9,TUBB5,TOP2A,IGF1R,GMNN,NFO,NPSR1,MTOR}

> <pathway_gtopdb>
{"Structural protein","Other nuclear protein","Transcription factor",Enzyme,"Cytochrome P450",Protease,"Nuclear receptor",Isomerase,"Cytochrome P450 family 3","Metallo protease","Nuclear hormone recep
tor subfamily 3","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 0","Cytochrome P450 family 3A","Metallo protease MAE clan","Nuclear hormone receptor subfamily 3 group C","Cytochrome P4
50 family 2C","Nuclear hormone receptor subfamily 0 group B","Cytochrome P450 3A4","Metallo protease M34 family","Nuclear hormone receptor subfamily 3 group C member 1","Cytochrome P450 2C19","Nuclear
 hormone receptor subfamily 0 group B member 1","Cytochrome P450 2C9",Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase InsR family","Unclassified protein","Membrane receptor"
,Hydrolase,"Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Neuropeptide receptor","Atypical protein k
inase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Cytochrome P450","Nuclear hormone receptors",Tubulins,"DNA topoisomerases","CYP3 family","Steroid hormone receptors","CYP2 family: drug metabolising subset"
,"0B. DAX-like receptors","3C. 3-Ketosteroid receptors","Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type II RTKs: Insulin receptor family","G pro
tein-coupled receptors","Kinases (EC 2.7.x.x)","Neuropeptide S receptor",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle","Cellular responses to external stimuli",Metabolism,Disease,"Gene expression (Transcription)",Mitotic,"Cellular responses to stress","Metabolism of lipids","Infectious disease","RNA Poly
merase II Transcription","Biological oxidations","M Phase","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and actions of bacterial toxins","Generic 
Transcription Pathway","Mitotic G2-G2/M phases","Phase I - Functionalization of compounds","Mitotic G1 phase and G1/S transition","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylati
on of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Uptake and function of anthrax toxins","FOXO-mediated transcription","G2/M Transition","Cytochrome P450 - arranged by substrat
e type","Nuclear Receptor transcription pathway","G0 and Early G1","Mitotic Anaphase","Biosynthesis of maresins","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Centr
osome maturation",Xenobiotics,"Transcription of E2F targets under negative control by DREAM complex","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Loss of proteins required f
or interphase microtubule organization from the centrosome","CYP2E1 reactions","Sealing of the nuclear envelope (NE) by ESCRT-III","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from m
itotic centrosomes","Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","IGF1R signaling cascade","IRS-related events tri
ggered by IGF1R","Leishmania infection","G1/S Transition","Leishmania parasite growth and survival","Transcriptional Regulation by TP53","Activation of the pre-replicative complex","Anti-inflammatory 
response favouring Leishmania parasite infection","Regulation of TP53 Activity","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Regulation of
 TP53 Degradation"}

> <broad_targets>
{IGF1R,TOP2A,TUBA4A,TUBB}

> <broad_moa>
{"microtubule inhibitor","tubulin polymerization inhibitor"}

> <synonyms>
{RESTW78,"RESTW 78",podophyllotoxin,Podofilox,518-28-5,518285,"518 28 5",Condylox,Condyline,(-)-Podophyllotoxin,()Podophyllotoxin,"( ) Podophyllotoxin",Wartec,"Podophyllinic acid lactone","Podophyllot
oxin 7",Warticon,Podophyllum,"Podofilox (USAN",NSC24818,SAM002548978,2300332,Prestw-782,"NSC 24818",CPD000059121,PODOFILOX,Podophyllotoxin,PODOPHYLLOTOXIN}

> <pdid>
PD000047

> <targets>
{IGF-1R}

> <classes>
{"inhibits microtubule assembly",antineoplastic,"and human DNA topoisomerase II; antimitotic agent"}

> <pubchem_cids>
{10607}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 28  0  0  1  0            999 V2000
    7.6943   -0.5056    0.0000 Na  0  3
    5.1937   -3.0093    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.0479    2.0470    0.0000 C   0  0  2  0  0  0
   -3.4926    2.4305    0.0000 N   0  0
   -4.5521    1.3675    0.0000 C   0  0
   -4.1610   -0.0806    0.0000 O   0  0
   -6.0026    1.7526    0.0000 C   0  0
   -7.0621    0.6896    0.0000 C   0  0
   -8.5291    0.9343    0.0000 S   0  0
   -9.2051   -0.4048    0.0000 C   0  0
   -8.1405   -1.4615    0.0000 C   0  0
   -6.8065   -0.7755    0.0000 C   0  0
   -0.7488    2.7970    0.0000 C   0  0
   -0.3606    4.2459    0.0000 O   0  0
    2.6003    1.4978    0.0000 C   0  0
    2.6029    2.9978    0.0000 O   0  5
    3.8983    0.7459    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  6
 11 12  1  0
 12  7  1  0
 10 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 18  2  0
 13 23  1  0
 23  9  1  0
 23 24  2  0
  8 25  1  0
 25 26  1  0
 25 27  2  0
M  CHG  2   1   1  26  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11521

> <plate>
PLATE 008

> <well>
A11

> <supplier_cmpd_name>
Cephalothin sodium

> <ctcr_id>
2193

> <supplier_cmpd_id>
T1122

> <smiles>
[Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3sccc3)C2=O)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{DTXSID30891362,"CEPHALOTHIN SODIUM",58-71-9,58719,"cefalotin sodium","Sodium cephalothin","Cephalothin sodium salt","Sodium cefalotin","Sodium cephalotin",Keflin,"Cefalotina sodica",Seffin,"Cefalotin
 sodium salt",Synclotin,Cephalothin,T1122,1500166,Prestw-719,"Cephalothin sodium"}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{23675321,101922867}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7537    0.0000 C   0  0
    3.9019    0.7463    0.0000 C   0  0
    5.2031    1.4926    0.0000 N   0  0
    6.4999    0.7389    0.0000 C   0  0
    6.4957   -0.7611    0.0000 S   0  0
    5.1945   -1.5074    0.0000 C   0  0
    7.2525    2.0338    0.0000 C   0  0
    8.6966    2.4193    0.0000 N   0  0
    9.0874    3.8684    0.0000 C   0  0
    8.0281    4.9304    0.0000 O   0  0
   10.5374    4.2554    0.0000 C   0  0
   11.5968    3.1934    0.0000 N   0  0
   10.9282    5.7045    0.0000 C   0  0
   12.3769    6.0935    0.0000 C   0  0
   12.7644    7.5426    0.0000 C   0  0
   11.7033    8.6027    0.0000 C   0  0
   12.0909   10.0518    0.0000 O   0  0
   10.2546    8.2138    0.0000 C   0  0
    9.8670    6.7648    0.0000 C   0  0
    5.9556    2.7875    0.0000 C   0  0
    5.5715    4.2374    0.0000 O   0  0
    2.6027    1.4978    0.0000 C   0  0
    2.6044    2.9978    0.0000 O   0  0
    1.3026    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 16  1  0
 10 23  1  0
 23  6  1  0
 23 24  2  0
  5 25  1  0
 25 26  1  0
 25 27  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11522

> <plate>
PLATE 008

> <well>
B2

> <supplier_cmpd_name>
Cefprozil hydrate

> <ctcr_id>
3537

> <supplier_cmpd_id>
T1118

> <smiles>
C\C=C/C1=C(N2C(SC1)C(NC(=O)C(N)c3ccc(O)cc3)C2=O)C(O)=O

> <pd_targets>
{DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PONA,PBPX,PENA}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Protease,"Serine protease","Serine protease SE clan","Serine protease unclassified","Serine protease S11 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{BSPBio_002272,BSPBio002272,BSPBio-002272,"BSPBio 002272",SPECTRUM1505364,SCHEMBL13628929,HMS1921J17,HMS2093D17,Pharmakon1600-01505364,Pharmakon160001505364,NSC759099,CCG-213399,CCG213399,NSC-759099,N
CGC00178728-01,NCGC0017872801,SBI-0206840.P001,SBI0206840.P001,AB01563065_01,AB0156306501,AB01563065-01,"AB01563065 01",SR-05000001680,SR05000001680,SR-05000001680-1,SR050000016801,T1118,1505364,"Cefp
rozil hydrate",CEFPROZIL}

> <pdid>
PD000910

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{10253795}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  1  0            999 V2000
    6.7744    3.6725    0.0000 K   0  3
    0.1194   -2.3933    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    2.2393   -0.8534    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0  2  0  0  0
   -0.8796    2.4866    0.0000 C   0  0  2  0  0  0
   -0.6422    3.9624    0.0000 N   0  0
    0.7599    4.4978    0.0000 C   0  0
    1.9236    3.5514    0.0000 O   0  0
    0.9982    5.9795    0.0000 C   0  0
    2.4003    6.5149    0.0000 O   0  0
    2.6386    7.9967    0.0000 C   0  0
    4.0392    8.5338    0.0000 C   0  0
    4.2744   10.0153    0.0000 C   0  0
    3.1090   10.9597    0.0000 C   0  0
    1.7084   10.4226    0.0000 C   0  0
    1.4732    8.9412    0.0000 C   0  0
   -2.0931    1.6049    0.0000 C   0  0
   -3.5746    1.8395    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  5
   -3.1247   -2.0836    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
  7 19  1  0
 19 20  2  0
 19 21  1  0
 21  6  1  0
 21 22  1  0
 22  3  1  0
 22 23  1  6
 23 24  1  0
 23 25  2  0
M  CHG  2   1   1  24  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11523

> <plate>
PLATE 008

> <well>
B3

> <supplier_cmpd_name>
Penicillin V potassium salt

> <ctcr_id>
544

> <supplier_cmpd_id>
T1126

> <smiles>
[K+].CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Penicillin V potassium","Penicillin V potassium salt",132-98-9,132989,"PENICILLIN VK","phenoxymethylpenicillin potassium",Suspen,"Potassium penicillin V",Beepen-VK,BeepenVK,Veetids,Penicillin-Vk,Pen
icillinVk,Betapen-VK,BetapenVK,"Penicillin potassium phenoxymethyl",Be,T1126,1500467,"PENICILLIN V POTASSIUM"}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{23676814,101633783}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 39  0  0  1  0            999 V2000
   -1.2144  -10.6204    0.0000 C   0  0
   -0.2327   -9.4862    0.0000 C   0  0
   -0.7235   -8.0679    0.0000 C   0  0
   -2.1965   -7.7844    0.0000 O   0  0
    0.2586   -6.9331    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
   -1.1616   -2.6175    0.0000 O   0  0
   -2.1799   -3.7201    0.0000 C   0  0
   -1.7340   -5.1523    0.0000 O   0  0
   -3.6441   -3.3904    0.0000 C   0  0
   -4.6618   -4.4923    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0  1  0  0  0
    2.2703   -4.0021    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
  9 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  3
 27 28  1  0
 28 22  1  0
 28 29  1  6
 28 30  1  0
 30 19  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  6
 32 34  1  0
 34 35  1  0
 35  9  1  0
 35 18  1  0
 35 36  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11524

> <plate>
PLATE 008

> <well>
B4

> <supplier_cmpd_name>
Beclomethasone dipropionate

> <ctcr_id>
1210

> <supplier_cmpd_id>
T1127

> <smiles>
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@]12C

> <pd_targets>
{CYP3A4,FTL,AMPC,ADGRG3,TIM23,NR3C1,MAPT}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor","Transcription factor","Cytochrome P450",Protease,Hydrolase,"Family B G protein-coupled receptor","Nuclear receptor","Cytochrome P450 family 3","Cyst
eine protease","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 3A","Cysteine protease CA clan","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 3A4","Cysteine protease C1
A family","Nuclear hormone receptor subfamily 3 group C member 1","Other cytosolic protein"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Nuclear hormone receptors","CYP3 family","Adhesion Class GPCRs","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{Metabolism,"Vesicle-mediated transport","Immune System","Gene expression (Transcription)","Metabolism of lipids","Membrane Trafficking","Innate Immune System","RNA Polymerase II Transcription","Biosy
nthesis of specialized proresolving mediators (SPMs)","trans-Golgi Network Vesicle Budding","Neutrophil degranulation","Generic Transcription Pathway","Biosynthesis of DHA-derived SPMs","Golgi Associa
ted Vesicle Biogenesis","FOXO-mediated transcription","Biosynthesis of maresins","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Biosynthesis of maresin-like SPMs","N
euronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor act
ivation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"anti-inflammatory agent"}

> <synonyms>
{"Betamethasone 17,21-dipropionate","Betamethasone 17,21dipropionate","BETAMETHASONE DIPROPIONATE",5593-20-4,5593204,Spectrum_001670,Spectrum001670,Spectrum-001670,"Spectrum 001670",SpecPlus_000652,Sp
ecPlus000652,SpecPlus-000652,"SpecPlus 000652",Spectrum2_000406,Spectrum2000406,Spectrum2-000406,"Spectrum2 000406",Spectrum3_000734,Spectrum3000734,Spectrum3-000734,"Spectrum3 000734",Spectrum4_00121
4,Spectrum4001214,Spectrum4-001214,"Spectrum4 001214",Spectrum5_000652,Spectrum5000652,Spectrum5-000652,"Spectrum5 000652",BSPBio_002288,BSPBio002288,BSPBio-002288,"BSPBio 002288",KBioGR_001648,KBioGR
001648,KBioGR-001648,"KBioGR 001648",KBioSS_002150,KBioSS002150,KBioSS-002150,"KBioSS 002150",DivK1c_006,DivK1c006,DivK1c-006,"DivK1c 006",T1559,T1127,1503210,"Betamethasone dipropionate","Beclomethas
one dipropionate","BETAMETHASONE 17,21-DIPROPIONATE"}

> <pdid>
PD001048

> <targets>
{}

> <classes>
{glucocorticoid,antiinflammatory}

> <pubchem_cids>
{6708733}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -1.2925    3.7494    0.0000 C   0  0
    0.0041    2.9953    0.0000 O   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.1937    3.0092    0.0000 C   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -5.1886    6.0123    0.0000 C   0  0
   -5.1848    7.5131    0.0000 C   0  0
   -6.4822    8.2677    0.0000 O   0  0
   -6.4784    9.7685    0.0000 P   0  0
   -6.4739   11.2685    0.0000 O   0  0
   -5.1772   10.5148    0.0000 O   0  0
   -7.7750   10.5226    0.0000 O   0  0
   -2.5909    6.0072    0.0000 S   0  0
   -2.5887    7.5080    0.0000 C   0  0
   -3.8869    8.2595    0.0000 O   0  0
   -1.2884    8.2574    0.0000 C   0  0
   -1.2841    9.7574    0.0000 C   0  0
    0.0171   10.5038    0.0000 C   0  0
    1.3140    9.7501    0.0000 C   0  0
    1.3098    8.2501    0.0000 C   0  0
    0.0086    7.5038    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  2  0
 12 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
  5 29  1  0
 29 30  1  0
 29 31  2  0
 31  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11525

> <plate>
PLATE 008

> <well>
B5

> <supplier_cmpd_name>
Benfotiamine

> <ctcr_id>
4933

> <supplier_cmpd_id>
T1129

> <smiles>
Cc1ncc(CN(C=O)C(/C)=C(/CCO[P](O)(O)=O)SC(=O)c2ccccc2)c(N)n1

> <pd_targets>
{CYP3A4,LMNA}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Metabolism of lipids",Mitotic,"Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Biosy
nthesis of maresins","Mitotic Anaphase","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{AGER}

> <broad_moa>
{antioxidant}

> <synonyms>
{benfotiamine,Benphothiamine,"Benzoylthiamine monophosphate",22457-89-2,22457892,"S-Benzoylthiamine monophosphate","SBenzoylthiamine monophosphate","S-Benzoylthiamine O-monophosphate","SBenzoylthiamin
e Omonophosphate","Benzoylthiamine O-monophosphate","Benzoylthiamine Omonophosphate",Benfotamine,Benfotiamina,Benfotiaminum,"22457-89-2 (free acid)","22457892 (free acid)",S-B,SB,Prestw-654,Benfotiami
ne}

> <pdid>
PD001075

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3032771}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 82 86  0  0  0  0            999 V2000
   -1.0397   -5.9678    0.0000 C   0  0
   -1.8484   -4.7045    0.0000 C   0  0
   -3.3468   -4.7736    0.0000 C   0  0
   -1.1591   -3.3713    0.0000 C   0  0
   -1.9739   -2.1012    0.0000 C   0  0
   -0.9127   -1.1673    0.0000 N   0  0
    0.0637   -2.1224    0.0000 C   0  0
   -0.4552   -2.9773    0.0000 O   0  0
    1.2947   -2.5257    0.0000 C   0  0
    1.2708   -4.0308    0.0000 C   0  0
    2.5571   -4.8041    0.0000 C   0  0
    2.5316   -6.3047    0.0000 C   0  0
    3.8172   -7.0775    0.0000 N   0  0
    2.7167   -1.8890    0.0000 N   0  0
    3.7780   -2.5894    0.0000 C   0  0
    3.4822   -4.0599    0.0000 O   0  0
    4.9029   -2.3771    0.0000 C   0  0
    6.4098   -1.5282    0.0000 N   0  0
    8.2139   -1.1673    0.0000 C   0  0
    9.1598   -2.3315    0.0000 O   0  0
    8.9567    0.5731    0.0000 C   0  0
   10.3363    0.9976    0.0000 C   0  0
   10.4212    2.5257    0.0000 C   0  0
    8.9992    3.0563    0.0000 C   0  0
    8.0229    1.8890    0.0000 N   0  0
    6.8343    1.5282    0.0000 C   0  0
    6.5437    0.0566    0.0000 O   0  0
    5.7943    2.3771    0.0000 C   0  0
    5.7912    3.8760    0.0000 C   0  0
    7.0889    4.6300    0.0000 C   0  0
    7.0879    6.1300    0.0000 C   0  0
    8.3864    6.8809    0.0000 C   0  0
    9.6860    6.1318    0.0000 C   0  0
    9.6870    4.6318    0.0000 C   0  0
    8.3885    3.8809    0.0000 C   0  0
    4.7543    1.5282    0.0000 N   0  0
    3.8629    2.5045    0.0000 C   0  0
    4.3398    3.9266    0.0000 O   0  0
    2.3771    2.2286    0.0000 C   0  0
    1.8108    3.6298    0.0000 C   0  0
    2.7346    4.8125    0.0000 C   0  0
    2.1734    6.2036    0.0000 C   0  0
    4.2200    4.6035    0.0000 C   0  0
    1.1461    1.5918    0.0000 N   0  0
    0.4882    2.7380    0.0000 C   0  0
    1.2398    4.0361    0.0000 O   0  0
   -1.1461    2.7380    0.0000 C   0  0
   -1.6802    4.1440    0.0000 C   0  0
   -3.1616    4.3850    0.0000 C   0  0
   -3.6944    5.7880    0.0000 C   0  0
   -5.1750    6.0289    0.0000 N   0  0
   -2.3771    1.6343    0.0000 N   0  0
   -3.6082    2.6106    0.0000 C   0  0
   -3.3970    3.5881    0.0000 O   0  0
   -5.1363    2.2286    0.0000 C   0  0
   -5.8367    0.7429    0.0000 N   0  0
   -7.7469    1.1886    0.0000 C   0  0
   -8.1847    2.6233    0.0000 O   0  0
   -8.5959    0.2759    0.0000 C   0  0
  -10.0180    0.2759    0.0000 C   0  0
  -10.6335   -1.1037    0.0000 C   0  0
   -9.4873   -2.1012    0.0000 C   0  0
   -8.1502   -1.4220    0.0000 N   0  0
   -7.5771   -2.1649    0.0000 C   0  0
   -8.4290   -3.3995    0.0000 O   0  0
   -6.1763   -2.5894    0.0000 C   0  0
   -5.8291   -4.0493    0.0000 C   0  0
   -6.9191   -5.0810    0.0000 C   0  0
   -6.5741   -6.5408    0.0000 C   0  0
   -7.6658   -7.5695    0.0000 C   0  0
   -9.1025   -7.1385    0.0000 C   0  0
   -9.4476   -5.6787    0.0000 C   0  0
   -8.3560   -4.6500    0.0000 C   0  0
   -5.0939   -1.5282    0.0000 N   0  0
   -3.5233   -2.5469    0.0000 C   0  0
   -3.7439   -4.0306    0.0000 O   0  0
   -6.0762    3.4002    0.0000 C   0  0
   -7.5590    3.1738    0.0000 C   0  0
   -5.5313    4.7978    0.0000 C   0  0
    5.0841   -3.8760    0.0000 C   0  0
    6.4617   -4.4695    0.0000 C   0  0
    3.8816   -4.7727    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  9 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 21  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 28 36  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  1  0
 39 44  1  0
 44 45  1  0
 45 46  2  0
 45 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 47 52  1  0
 52 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  2  0
 57 59  1  0
 59 60  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 59  1  0
 63 64  1  0
 64 65  2  0
 64 66  1  0
 66 67  1  0
 67 68  1  0
 68 69  2  0
 69 70  1  0
 70 71  2  0
 71 72  1  0
 72 73  2  0
 73 68  1  0
 66 74  1  0
 74 75  1  0
 75  5  1  0
 75 76  2  0
 55 77  1  0
 77 78  1  0
 77 79  1  0
 17 80  1  0
 80 81  1  0
 80 82  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11526

> <plate>
PLATE 008

> <well>
B6

> <supplier_cmpd_name>
Gramicidin

> <ctcr_id>
5601

> <supplier_cmpd_id>
T1130

> <smiles>
CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C2CCCN2C(=O)C(Cc3ccccc3)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(NC(=O)C4CCCN4C(=O)C(Cc5ccccc5)NC1=O)C(C)C)C(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NCGC00095992-01,NCGC0009599201,Spectrum_000833,Spectrum000833,Spectrum-000833,"Spectrum 000833",Spectrum2_001076,Spectrum2001076,Spectrum2-001076,"Spectrum2 001076",Spectrum3_001749,Spectrum3001749,S
pectrum3-001749,"Spectrum3 001749",Spectrum4_000106,Spectrum4000106,Spectrum4-000106,"Spectrum4 000106",Spectrum5_001779,Spectrum5001779,Spectrum5-001779,"Spectrum5 001779",BSPBio_003458,BSPBio003458,
BSPBio-003458,"BSPBio 003458",KBioGR_000432,KBioGR000432,KBioGR-000432,"KBioGR 000432",KBioSS_001313,KBioSS001313,KBioSS-001313,"KBioSS 001313",SPECTRUM1500319,SPBio_001092,SPBio001092,SPBio-001092,"S
PBio 001092",KBio2_001313,KBio2001313,KBio2-001313,"KBio2 001313",KBio2_003881,KBio2003881,KBio2-003881,"KBio2 003881",KBio2_006449,KBio2006449,KBio2-006449,"KBio2 006449",KBio3_002678,KBio3002678,KBi
o3-002678,"KBio3 002678",HMS2091H19,Pharmakon1,1500319,GRAMICIDIN}

> <pdid>

> <targets>
{Antibiotic,Bacterial}

> <classes>
{antibacterial,Anti-infection}

> <pubchem_cids>
{3851247}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 35  0  0  1  0            999 V2000
   -0.0017    1.5004    0.0000 C   0  0
   -0.0007    0.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3039    3.7494    0.0000 O   0  0
    1.3070    5.2502    0.0000 C   0  0
    0.0092    6.0025    0.0000 O   0  0
    2.6078    5.9988    0.0000 C   0  0
    2.6131    7.4988    0.0000 C   0  0
    3.9147    8.2443    0.0000 N   0  0
    5.2111    7.4898    0.0000 C   0  0
    5.2059    5.9898    0.0000 C   0  0
    6.5024    5.2354    0.0000 Br  0  0
    3.9043    5.2443    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0
    1.8481   -5.2205    0.0000 C   0  0
    3.3481   -5.2205    0.0000 N   0  0
    4.2034   -6.4527    0.0000 C   0  0
    3.8971   -3.7500    0.0000 C   0  0
    5.1962   -3.0000    0.0000 C   0  0
    5.1962   -1.5000    0.0000 C   0  0
    3.8971   -0.7500    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 10  1  0
  5 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20  3  1  0
 20 21  1  1
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30  3  1  0
 30 31  2  0
 31 22  1  0
 31 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11527

> <plate>
PLATE 008

> <well>
B7

> <supplier_cmpd_name>
Nicergoline

> <ctcr_id>
2947

> <supplier_cmpd_id>
T1132

> <smiles>
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc4cn(C)c5cccc2c45

> <pd_targets>
{KDM4E,KMT2A,MEN1,MAPT,ADRA1A}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein","Membrane receptor",Eraser,Reader,"Family A G protein-coupled receptor","Lysine demethylase",Bromodomain,"Small molecule receptor (family A GPCR)","Ju
monji domain-containing","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","G protein-coupled receptors","1.14.11.- Histone demethylases",Adrenoceptors}

> <pathway_reactome>
{"Neuronal System","Signal Transduction","Transmission across Chemical Synapses","Signaling by GPCR","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","Activation
 of NMDA receptors and postsynaptic events","Class A/1 (Rhodopsin-like receptors)","Post NMDA receptor activation events","Amine ligand-binding receptors","Activation of AMPK downstream of NMDARs",Adr
enoceptors}

> <broad_targets>
{ADRA1A}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{27848-84-6,27848846,Nicotergoline,"Nimergoline base",C24H26BrN3O3,Nimergoline,UNII-JCV8365FWN,UNIIJCV8365FWN,"Sermion (TN)","10-Methoxy-1,6-dimethylergoline-8beta-methanol 5-bromonicotinate","10Metho
xy1,6dimethylergoline8betamethanol 5bromonicotinate",JCV8365FWN,Nicergolinum,CHEBI:31902,"Nicergolin (German)",Nicer,T1132,1501133,Prestw-147,Nicergoline,NICERGOLINE}

> <pdid>
PD001880

> <targets>
{}

> <classes>
{vasodilator}

> <pubchem_cids>
{34040}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    6.4983   -0.7520    0.0000 C   0  0
    5.1988   -1.5012    0.0000 C   0  0
    5.1983   -3.0012    0.0000 C   0  0
    6.4975   -2.2518    0.0000 C   0  0
    3.8990   -0.7508    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -2.5795   -7.5040    0.0000 Cl  0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -5.1932   -3.0130    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 16  1  0
 22 23  1  0
 14 24  2  0
 24  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11528

> <plate>
PLATE 008

> <well>
B8

> <supplier_cmpd_name>
Clofoctol

> <ctcr_id>
3508

> <supplier_cmpd_id>
T1134

> <smiles>
CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1

> <pd_targets>
{KMT2A,TP53,USP2,RORC,MEN1,MAPT,CYP3A4,CASP1,MAPK1}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,"Other cytosolic protein",Reader,Protease,"Nuclear receptor","Cytochrome P450",Kinase,Bromodomain,"Cysteine protease","Nuclear hormone receptor su
bfamily 1","Cytochrome P450 family 3","Protein Kinase","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cysteine protease CD clan","CMGC protein 
kinase group","Cysteine protease C1A family","Cysteine protease C19 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cysteine protease C14 family","CMGC protein k
inase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Peptidases and proteinases","Nuclear hormone receptors","Cytochrome P450","Kinases (EC 2.7.x.x)","2.1.1.43 Histone methyltransferases (HMTs)","CA: Cys
teine (C) Peptidases","1F. Retinoic acid-related orphans","CYP3 family","CD: Cysteine (C) Peptidases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","C19: Ubiquitin-specific protease","C14: Caspase",
"Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","Neuronal System",Metabolism,"Immune System","RNA Polymerase II Transcription","Cell Cycle Checkpoints","Transmission across Chemical Synapses","Metabol
ism of lipids","Innate Immune System","Generic Transcription Pathway","G1/S DNA Damage Checkpoints","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized prore
solving mediators (SPMs)","Toll-like Receptor Cascades","Transcriptional regulation by RUNX1","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by TP53","Transcriptional regulatio
n by RUNX3","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","RUNX1 regulates genes involved in megakaryocyte differentia
tion and platelet function","p53-Dependent G1 DNA Damage Response","Regulation of TP53 Activity","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","Biosynthes
is of maresins","TP53 Regulates Transcription of Cell Death Genes","MyD88 cascade initiated on plasma membrane","Stabilization of p53","Regulation of TP53 Expression and Degradation","Activation of AM
PK downstream of NMDARs","Biosynthesis of maresin-like SPMs","TP53 Regulates Transcription of Caspase Activators and Caspases","MAP kinase activation","Autodegradation of the E3 ubiquitin ligase COP1"
,"Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{clofoctol,37693-01-9,37693019,Octofene,"Clofoctol (INN)",UNII-704083NI0R,UNII704083NI0R,"alpha-(2,4-Dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol","alpha(2,4Dichlorophenyl)4(1,1,3,3tetramethy
lbutyl)ocresol","2-((2,4-Dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)phenol","2((2,4Dichlorophenyl)methyl)4(1,1,3,3tetramethylbutyl)phenol",2-((2,2((2,4-dichlorophenyl)methyl)-4-(2,4dichlorophe
nyl)methyl)4(2,4,4-trime,4trime,T1134,1503206,Clofoctol,CLOFOCTOL}

> <pdid>
PD001051

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{2799}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 S   0  0
    5.1996   -1.4928    0.0000 O   0  0
    5.1966    0.0070    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  3
   -2.6030    2.9977    0.0000 O   0  5
   -3.8983    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
  9 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2  19   1  20  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11529

> <plate>
PLATE 008

> <well>
B9

> <supplier_cmpd_name>
Nimesulide

> <ctcr_id>
2242

> <supplier_cmpd_id>
T1133

> <smiles>
C[S](=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+]([O-])=O

> <pd_targets>
{SLC6A19,PTGS2,HIF1A,PTGS1,FFP,APEX1,TSHR,AMPC,BLM,MPO,CYP2C9,HSD17B10,MAPK1,LMNA,MAPT,GLA,CYP3A4,CYP1A2,ALD,HPGD,KDM4E,MMP1,SLC6A3,CYP19A1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Membrane receptor","Other nuclear protein","Other cytosolic protein","Epigenetic regulator",Transporter,Oxidoreductase,Transferase,"Family A G protein-coupled receptor"
,Hydrolase,"Cytochrome P450",Kinase,Eraser,Protease,"Electrochemical transporter","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Protein Kinase","Cytochrome P450 family 3","Cytochrome 
P450 family 1","Lysine demethylase","Metallo protease","SLC superfamily of solute carriers","Cytochrome P450 family 19","Glycohormone receptor","Cytochrome P450 family 2C","CMGC protein kinase group",
"Cytochrome P450 family 3A","Cytochrome P450 family 1A","Jumonji domain-containing","Metallo protease MAM clan","SLC06 neurotransmitter transporter family","Cytochrome P450 family 19A","Cytochrome P45
0 2C9","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Cytochrome P450 1A1","Metallo protease M10A subfamily","Cytochrome P450 19A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Transporters,Enzymes,Receptors,"SLC superfamily of solute carriers","Eicosanoid turnover","G protein-coupled receptors","1.-.-.- Oxidoreductases","Cytochrome P450","Kinases (EC 2.7.x.x)","Chromatin m
odifying enzymes","Peptidases and proteinases","SLC6 neurotransmitter transporter family",Cyclooxygenase,"Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","CMGC: Containing CDK"
,MAPK,GSK3,"CLK families","CYP3 family","CYP1 family","Prostaglandin synthases","1.14.11.- Histone demethylases","MA: Metallo (M) Peptidases",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Neutral amin
o acid transporter subfamily","Mitogen-activated protein kinases (MAP kinases)","M10: Matrix metallopeptidase","Monoamine transporter subfamily","ERK subfamily"}

> <pathway_reactome>
{Disease,Metabolism,"Cellular responses to external stimuli","DNA Repair","Immune System","Cell Cycle","Neuronal System","Disorders of transmembrane transporters","Metabolism of lipids","Cellular resp
onses to stress","Base Excision Repair","Infectious disease","DNA Double-Strand Break Repair","Innate Immune System","Biological oxidations","Metabolism of amino acids and derivatives",Mitotic,"Transm
ission across Chemical Synapses","Cytokine Signaling in Immune system","SLC transporter disorders","Biosynthesis of specialized proresolving mediators (SPMs)","Cellular response to hypoxia","Fatty aci
d metabolism","Resolution of Abasic Sites (AP sites)","Leishmania infection","Homology Directed Repair","ROS and RNS production in phagocytes","Phase I - Functionalization of compounds","Branched-chai
n amino acid catabolism","Toll-like Receptor Cascades","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Sphingolipid metabolism","Signaling by Interleukins","Defective SLC6
A19 causes Hartnup disorder (HND)","Biosynthesis of DPA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Arachidonic acid metabolism","Resolution of AP sites v
ia the multiple-nucleotide patch replacement pathway","Leishmania parasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Events associated with ph
agocytolytic activity of PMN cells","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic
 events","Glycosphingolipid metabolism","Biosynthesis of DHA-derived SPMs","Interleukin-4 and Interleukin-13 signaling","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Biosynthesis 
of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","PCNA-Dependent Long Patch Base Excision Repair","Anti-inflammatory response favouring Leishmania parasite infection","HDR thro
ugh Homologous Recombination (HRR)",Xenobiotics,"MyD88 cascade initiated on plasma membrane","Mitotic Anaphase","Post NMDA receptor activation events","Biosynthesis of maresins","Biosynthesis of D-ser
ies resolvins","Endogenous sterols","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing and Strand Exchange","CYP2E1 reactions","MAP kinase activation","Nuclear Envelope 
(NE) Reassembly","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Presynaptic phase of homologous DNA p
airing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{LTF,PLA2G2E,PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{nimesulide,51803-78-2,51803782,N-(4-Nitro-2-phenoxyphenyl)methanesulfonamide,N(4Nitro2phenoxyphenyl)methanesulfonamide,Mesulid,Aulin,Flogovital,Sulidene,Nimed,4-NITRO-2-PHENOXYMETHANESULFONANILIDE,4N
ITRO2PHENOXYMETHANESULFONANILIDE,R-805,R805,"R 805",Nisulid,"Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-","Methanesulfonamide, N(4nitro2phenoxyphenyl)",UNII-V4TKW1454M,UNIIV4TKW1454M,4-Nitro-2,4N
itro2,T1133,1503231,Prestw-194,Nimesulide,NIMESULIDE}

> <pdid>
PD001035

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{4495}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    3.7332   -0.7121    0.0000 N   0  0
    3.1255   -2.0835    0.0000 C   0  0
    4.0097   -3.2952    0.0000 O   0  0
    1.6332   -2.2426    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
    0.0000    2.7760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11530

> <plate>
PLATE 008

> <well>
B10

> <supplier_cmpd_name>
Oxiracetam

> <ctcr_id>
11006

> <supplier_cmpd_id>
T1128

> <smiles>
NC(=O)CN1CC(O)CC1=O

> <pd_targets>
{APEX1,BLM}

> <pathway_gtopdb>
{Enzyme}

> <pathway_chembl>
{}

> <pathway_reactome>
{"DNA Repair","Base Excision Repair","DNA Double-Strand Break Repair","Resolution of Abasic Sites (AP sites)","Homology Directed Repair","Resolution of AP sites via the multiple-nucleotide patch repla
cement pathway","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","PCNA-Dependent Long Patch Base Excision Repair","HDR through Homologous Recombination (HRR)","Homologous 
DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{oxiracetam,62613-82-5,62613825,2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide,2(4hydroxy2oxopyrrolidin1yl)acetamide,4-Hydroxy-2-oxopyrrolidine-N-acetamide,4Hydroxy2oxopyrrolidineNacetamide,"ISF 2522","1
-Pyrrolidineacetamide, 4-hydroxy-2-oxo-","1Pyrrolidineacetamide, 4hydroxy2oxo",4-Hydroxy-2-oxo-1-pyrrolidineacetamide,4Hydroxy2oxo1pyrrolidineacetamide,"CGP 21690E",ISF-2522,ISF2522,CT-848,CT848,Oxira
cetam(Rando,T1128,Oxiracetam}

> <pdid>
PD000468

> <targets>
{GABAR,GABA Receptor}

> <classes>
{Membrane transporter/Ion channel,Neuroscience,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{4626}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 Cl  0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3070    5.2494    0.0000 Cl  0  0
    2.6016    2.9971    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 S   0  0
    1.2993   -3.7504    0.0000 N   0  0
   -1.2986   -3.7517    0.0000 O   0  0
    0.0007   -4.5008    0.0000 O   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 N   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  3
  7  8  1  0
  7  9  1  0
  4 10  2  0
 10 11  1  0
 11 12  2  0
 12  2  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 13 16  2  0
 10 17  1  0
 17 18  1  0
 17 19  2  0
 17 20  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11531

> <plate>
PLATE 008

> <well>
B11

> <supplier_cmpd_name>
Clorsulon

> <ctcr_id>
2077

> <supplier_cmpd_id>
T1137

> <smiles>
Nc1cc(C(Cl)=C(Cl)Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O

> <pd_targets>
{ALDH1A1}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Ethanol oxidation"}

> <broad_targets>
{}

> <broad_moa>
{"glycolysis inhibitor"}

> <synonyms>
{CLORSULON,60200-06-8,60200068,Curatrem,"4-amino-6-(1,2,2-trichloroethenyl)benzene-1,3-disulfonamide","4amino6(1,2,2trichloroethenyl)benzene1,3disulfonamide",UNII-EG1ZDO6LRD,UNIIEG1ZDO6LRD,MK-401,MK40
1,"1,3-Benzenedisulfonamide, 4-amino-6-(trichloroethenyl)-","1,3Benzenedisulfonamide, 4amino6(trichloroethenyl)","4-Amino-6-(trichloroethenyl)-1,3-benzenedisulfonamide","4Amino6(trichloroethenyl)1,3be
nzenedisulfonamide",EG1ZDO6LRD,4-am,4am,T1137,Prestw-540,Clorsulon}

> <pdid>
PD000621

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{43231}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8883   -6.7578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  2  0
 17  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11532

> <plate>
PLATE 008

> <well>
C2

> <supplier_cmpd_name>
Salbutamol

> <ctcr_id>
5709

> <supplier_cmpd_id>
T1139

> <smiles>
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1

> <pd_targets>
{ADRB2,PMP22,ADRB1,TSHR,HIF1A,NFKB1,CYP2D6,CYP1A2}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor","Transcription factor","Other cyt
osolic protein",Enzyme,"Cytochrome P450","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Cytochrome P450 family 1","Glycohormone receptor","Cytochrome P450 family 2D","Cytochrome P450 f
amily 1A","Cytochrome P450 2D6","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors,Enzymes,"Cytochrome P450","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{Disease,"Developmental Biology","Infectious disease","Nervous system development","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Leishmania parasite growth a
nd survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production","Cellular responses to external stimuli","Immune System",Met
abolism,"Cellular responses to stress","Cytokine Signaling in Immune system","Biological oxidations","Cellular response to hypoxia","Signaling by Interleukins","Phase I - Functionalization of compound
s","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Interleukin-1 family signaling","Cytochrome P450 - arranged by substrate type","Interleukin-1 signaling",Xenobiotics,"MAP
3K8 (TPL2)-dependent MAPK1/3 activation","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{ADRB2}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{RESTW19,Salbutamol,albuterol,18559-94-9,18559949,Proventil,Sultanol,Volmax,Broncovaleas,Aerolin,dl-Salbutamol,dlSalbutamol,dl-Albuterol,dlAlbuterol,"Ventolin Inhaler",Ventolin,"Proventil HFA",Buvento
l,Cobutolin,Salbulin,Salbuvent,Saventol,Ventoline,Asmaven,Salamol,Spreor,Asmol,Sultano,T1139,1500677,Prestw-198,"ALBUTEROL (+/-)"}

> <pdid>
PD001639

> <targets>
{}

> <classes>
{tocolytic,bronchodilator}

> <pubchem_cids>
{2083}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    1.7932   -8.3203    0.0000 C   0  0
    2.5451   -7.0223    0.0000 O   0  0
    1.7974   -5.7210    0.0000 C   0  0
    0.2974   -5.7184    0.0000 O   0  0
    2.5497   -4.4224    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 S   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 11 19  1  0
 19 20  2  0
 20  8  1  0
 20 21  1  0
 21  6  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11533

> <plate>
PLATE 008

> <well>
C3

> <supplier_cmpd_name>
Fenbendazole

> <ctcr_id>
2500

> <supplier_cmpd_id>
T1141

> <smiles>
COC(=O)Nc1[nH]c2ccc(Sc3ccccc3)cc2n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NCGC00255694-01,NCGC0025569401,AK163194,I011,fenbendazole,43210-67-9,43210679,Panacur,Fenbendazol,Phenbendasol,Fenbendazolum,Safe-Guard,SafeGuard,"Methyl 5-(phenylthio)-2-benzimidazolecarbamate","Met
hyl 5(phenylthio)2benzimidazolecarbamate",Safe-quard,Safequard,"Hoe 881v",2-(Methoxycarbonylamino)-5-(phenylthio)benzimidazole,2(Methoxycarbonylamino)5(phenylthio)benzimidazole,methy,T1141,1501016,Pre
stw-210,Fenbendazole,FENBENDAZOLE}

> <pdid>

> <targets>
{Antibiotic,HIF/HIF Prolyl-Hydroxylase,Parasite}

> <classes>
{anthelmintic,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{3334}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 P   0  0
   -1.3070   -5.2494    0.0000 O   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -2.6044   -4.4969    0.0000 O   0  0
   -0.0031    3.0008    0.0000 C   0  0  2  0  0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 C   0  0  2  0  0  0
   -3.9571    5.3730    0.0000 C   0  0
   -4.9647    6.4842    0.0000 C   0  0  1  0  0  0
   -6.4538    6.3193    0.0000 C   0  0
   -7.0575    4.9453    0.0000 C   0  0
   -8.5484    4.7802    0.0000 C   0  0
   -4.2192    7.7859    0.0000 C   0  0
   -2.7509    7.4791    0.0000 N   0  0
   -1.6337    8.4801    0.0000 C   0  0
    1.2969    3.7508    0.0000 C   0  0  2  0  0  0
    1.2969    5.2508    0.0000 C   0  0
    2.5962    3.0013    0.0000 Cl  0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  1
  8 10  1  0
 10  3  1  0
 10 11  1  6
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
  5 16  1  0
 16 17  1  6
 17 18  1  0
 18 19  2  0
 20 18  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  1
 23 24  1  0
 24 25  1  0
 22 26  1  0
 26 27  1  0
 27 20  1  0
 27 28  1  0
 16 29  1  0
 29 30  1  6
 29 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11534

> <plate>
PLATE 008

> <well>
C4

> <supplier_cmpd_name>
Clindamycin phosphate

> <ctcr_id>
11007

> <supplier_cmpd_id>
T1142

> <smiles>
CS[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1OP(=O)(O)O)[C@H](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)[C@H](C)Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{"Clindamycin phosphate",24729-96-2,24729962,"Cleocin T",CLINDAMYCIN-2-PHOSPHATE,CLINDAMYCIN2PHOSPHATE,"Clindamycin 2-phosphate","Clindamycin 2phosphate","Clindamycin (phosphate)",UNII-EH6D7113I8,UNII
EH6D7113I8,"7(S)-Chloro-7-deoxylincomycin 2-phosphate","7(S)Chloro7deoxylincomycin 2phosphate","Cleocin phosphate","Clindamycin 2-dihydrogen ph","Clindamycin 2dihydrogen ph",T1142}

> <pdid>
PD014067

> <targets>
{"23S rRNA","50S ribosome"}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{443385}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 28  0  0  1  0            999 V2000
   10.2052    2.4566    0.0000 Na  0  3
    7.7052    2.4566    0.0000 Na  0  3
    0.1194   -2.3933    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    2.2393   -0.8534    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0  2  0  0  0
   -0.8796    2.4866    0.0000 C   0  0  2  0  0  0
   -0.6422    3.9624    0.0000 N   0  0
    0.7599    4.4978    0.0000 C   0  0
    1.9236    3.5514    0.0000 O   0  0
    0.9982    5.9795    0.0000 C   0  0
   -0.1681    6.9241    0.0000 C   0  0
    0.0670    8.4055    0.0000 O   0  5
   -1.5689    6.3874    0.0000 O   0  0
    2.4003    6.5149    0.0000 C   0  0
    2.6407    7.9956    0.0000 C   0  0
    4.0431    8.5278    0.0000 C   0  0
    5.2052    7.5794    0.0000 C   0  0
    4.9649    6.0988    0.0000 C   0  0
    3.5625    5.5665    0.0000 C   0  0
   -2.0931    1.6049    0.0000 C   0  0
   -3.5746    1.8395    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  5
   -3.1247   -2.0836    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  1
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 12 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
  8 22  1  0
 22 23  2  0
 22 24  1  0
 24  7  1  0
 24 25  1  0
 25  4  1  0
 25 26  1  6
 26 27  1  0
 26 28  2  0
M  CHG  4   1   1   2   1  14  -1  27  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11535

> <plate>
PLATE 008

> <well>
C5

> <supplier_cmpd_name>
Carbenicillin disodium

> <ctcr_id>
1600

> <supplier_cmpd_id>
T1143

> <smiles>
[Na+].[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(C([O-])=O)c3ccccc3)C(=O)N2[C@H]1C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Carbenicillin, Disodium Salt",4800-94-6,4800946,"4800 94 6",HY-B0525A,HYB0525A,"HY B0525A",AKOS025293506,"Carbenicillin sodium salt, Antibiotic for Culture Media Use Only","carbenicillin sodium","Ca
rbenicillin disodium",T1143,1500160,"CARBENICILLIN DISODIUM"}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{16760335,102090407,20933}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 17  0  0  0  0            999 V2000
    7.6894   -3.0057    0.0000 Cl  0  0
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5886   -6.0033    0.0000 C   0  0
    1.2919   -5.2492    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 11  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11536

> <plate>
PLATE 008

> <well>
C6

> <supplier_cmpd_name>
Lidocaine hydrochloride

> <ctcr_id>
2126

> <supplier_cmpd_id>
T1144

> <smiles>
Cl.CCN(CC)CC(=O)Nc1c(C)cccc1C

> <pd_targets>
{SCN2A,AMPC,SCN1A,SCN3A,MAPK1,SCN9A,SCN5A,MAPT,LMNA,CHRM1,SCN4A,SCN10A,ALDH1A1,CYP3A4,GAA,BLM,SCN11A,SCN7A,SCN8A,EGFR}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other cytosolic protein","Other nuclear protein","Membrane receptor","Voltage-gated ion channel",Hydrolase,Kinase,"Family A G protein-coupled receptor",Oxidoreductase,"Cytochrom
e P450","Voltage-gated sodium channel","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","CMGC protein kinase group","Monoamine receptor","Cytochrome P450 family 3A
","TK protein kinase group","CMGC protein kinase MAPK family","Acetylcholine receptor","Cytochrome P450 3A4","Tyrosine protein kinase EGFR family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Voltage-gated ion channels","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cytochrome P450","3.2.1.- Glycosidases","Catalytic receptors","Voltage-gated sodium
 channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors (muscarinic)","CYP3 family","Receptor kinases","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinas
e","ERK subfamily","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Immune System","Neuronal System","Cell Cycle","Signal Transduction",Metabolism,Disease,"DNA Repair","Nervous system development","Innate Immune System","Transmission across C
hemical Synapses",Mitotic,"Signaling by GPCR","Biological oxidations","Metabolism of lipids","Diseases of metabolism","DNA Double-Strand Break Repair","Axon guidance","Toll-like Receptor Cascades","Ne
urotransmitter receptors and postsynaptic signal transmission","M Phase","GPCR ligand binding","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","D
iseases of carbohydrate metabolism","Homology Directed Repair","GPCR downstream signalling","L1CAM interactions","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic ev
ents","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Glycogen storage diseases","HDR through Homologous Recombination (
HRR) or Single Strand Annealing (SSA)","G alpha (q) signalling events","Interaction between L1 and Ankyrins","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","Mitoti
c Anaphase","Amine ligand-binding receptors","Biosynthesis of maresins","Glycogen storage disease type II (GAA)","HDR through Homologous Recombination (HRR)","Gastrin-CREB signalling pathway via PKC a
nd MAPK","MAP kinase activation","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","Homologous DNA P
airing and Strand Exchange","EGFR Transactivation by Gastrin","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous 
DNA pairing and strand exchange","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{EGFR,SCN10A,SCN5A,SCN9A}

> <broad_moa>
{"histamine receptor agonist"}

> <synonyms>
{Lidocaton,LIDOPEN,"Lidocaine hydrochloride anhydrous",CHEBI:50512,"2-Diethylamino-2',6'-acetoxylidide hydrochloride","2Diethylamino2',6'acetoxylidide hydrochloride","alpha-Diethylamino-2,6-acetoxylid
ine hydrochloride","alphaDiethylamino2,6acetoxylidine hydrochloride","Alphacaine N","Alphacaine SP",omega-Diethylamino-2,omegaDiethylamino2,6-dime,6dime,T1144L,T1144,1500689,Prestw-50,"Lidocaine Hydro
chloride hydrate","Lidocaine hydrochloride","LIDOCAINE HYDROCHLORIDE"}

> <pdid>
PD003120

> <targets>
{}

> <classes>
{"anesthetic (local)",antiarrhythmic}

> <pubchem_cids>
{49852294,6314,657223}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 36  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.4992    0.7496    0.0000 O   0  0
   10.2999    2.2500    0.0000 C   0  0
   10.2999    0.7500    0.0000 C   0  0
    9.0007    0.0004    0.0000 O   0  0
   11.5999    0.0000    0.0000 N   0  0
   12.8999    0.7500    0.0000 C   0  0
   14.1999    0.0000    0.0000 C   0  0
   14.1999   -1.5000    0.0000 O   0  0
   15.4992    0.7496    0.0000 O   0  0
   33.5886    0.3829    0.0000 N   0  0
   32.2883   -0.3648    0.0000 C   0  0
   32.2861   -1.8648    0.0000 N   0  0
   30.9901    0.3883    0.0000 C   0  0
   30.9900    1.8883    0.0000 C   0  0
   29.6910    2.6383    0.0000 C   0  0
   28.3920    1.8883    0.0000 C   0  0
   27.0907    2.6360    0.0000 N   0  0
   25.7920    1.8837    0.0000 N   0  0
   24.4907    2.6315    0.0000 N   0  0
   23.1920    1.8792    0.0000 C   0  0
   21.8903    2.6246    0.0000 C   0  0
   20.5939    1.8701    0.0000 C   0  0
   20.5991    0.3701    0.0000 C   0  0
   21.9007   -0.3754    0.0000 C   0  0
   23.1971    0.3791    0.0000 C   0  0
   19.3035   -0.3875    0.0000 C   0  0
   18.0006    0.3558    0.0000 N   0  0
   19.3108   -1.8874    0.0000 N   0  0
   28.3920    0.3883    0.0000 C   0  0
   29.6910   -0.3617    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 30 33  1  0
 33 34  1  0
 33 35  2  0
 23 36  1  0
 36 37  2  0
 37 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11537

> <plate>
PLATE 008

> <well>
C7

> <supplier_cmpd_name>
Diminazene Aceturate

> <ctcr_id>
4337

> <supplier_cmpd_id>
T1145

> <smiles>
CC(=O)NCC(O)=O.CC(=O)NCC(O)=O.NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Diminazene aceturate","Diminazene diaceturate",908-54-3,908543,berenil,"Diminazene (aceturate)",Beronal,Bevenil,"Diminazene (diaceturate)",UNII-JI8SAD85NO,UNIIJI8SAD85NO,CHEBI:82615,JI8SAD85NO,"Di-(
4-amidinophenyl)-triazine-(N-1,3)-diaceturate","Di(4amidinophenyl)triazine(N1,3)diaceturate",C22H29N9O6,CHEMBL380216,D,T1145,S4104,"Diminazene Aceturate"}

> <pdid>

> <targets>
{Others,Angiotensin-converting Enzyme (ACE),Parasite}

> <classes>
{Others,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5284544}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.2637    1.8997    0.0000 C   0  0
    1.7485    3.3085    0.0000 C   0  0
    2.7108    4.4591    0.0000 C   0  0
    4.1885    4.2009    0.0000 C   0  0
    4.7037    2.7922    0.0000 C   0  0
    3.7414    1.6416    0.0000 C   0  0
    3.7469    0.1408    0.0000 N   0  3
    2.4504   -0.6136    0.0000 O   0  5
    5.0483   -0.6052    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 O   0  0
   -1.3070    5.2494    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  6 16  1  0
 16 17  2  3
 17 18  1  0
 17 19  1  0
 19 20  2  3
 20  5  1  0
 20 21  1  0
 16 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
M  CHG  2  13   1  14  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11538

> <plate>
PLATE 008

> <well>
C8

> <supplier_cmpd_name>
Nifedipine

> <ctcr_id>
549

> <supplier_cmpd_id>
T1146

> <smiles>
COC(/O)=C1/C(c2ccccc2[N+]([O-])=O)C(=C(C)N=C1C)C(=O)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{nifedipine,21829-25-4,21829254,Adalat,Procardia,"Procardia XL","Adalat CC",Cordipin,Corinfar,Fenihidine,Citilat,Oxcord,Fenihidin,Bay-a-1040,Baya1040,Adalate,Nifediac,"Afeditab CR",Coracten,Hexadilat,
Introcar,Kordafen,Nifedical,Tibricol,Adapine,Anifed,Pidilat,S,SAM001246963,CPD000058291}

> <pdid>
PD003075

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4485}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 38  0  0  1  0            999 V2000
    6.3978    0.1642    0.0000 Na  0  3
   -0.2823   -5.5001    0.0000 C   0  0
   -0.7300   -4.0685    0.0000 C   0  0  2  0  0  0
   -2.1946   -3.7406    0.0000 C   0  0
   -3.2115   -4.8444    0.0000 C   0  0
   -4.6761   -4.5166    0.0000 C   0  0
   -5.1237   -3.0850    0.0000 O   0  0
   -5.6930   -5.6204    0.0000 N   0  0
   -7.1576   -5.2926    0.0000 C   0  0
   -8.1745   -6.3964    0.0000 C   0  0
   -9.6390   -6.0685    0.0000 S   0  0
  -10.0867   -4.6369    0.0000 O   0  5
  -10.6554   -7.1717    0.0000 O   0  0
  -11.1027   -5.7402    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0  2  0  0  0
    3.8971    0.7500    0.0000 O   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0  2  0  0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0  2  0  0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 11 14  2  0
  3 15  1  0
 15 16  1  6
 16 17  1  0
 18 17  1  6
 19 18  1  1
 19 20  1  0
 20 21  1  1
 20 22  1  0
 23 22  1  1
 23 24  1  0
 24 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 23  1  0
 29 30  1  6
 29 31  1  0
 31 19  1  0
 31 32  1  6
 32 33  1  0
 33 34  1  1
 33 35  1  0
 35 15  1  0
 35 18  1  0
 35 36  1  6
M  CHG  2   1   1  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11539

> <plate>
PLATE 008

> <well>
C9

> <supplier_cmpd_name>
Taurocholic acid sodium salt hydrate

> <ctcr_id>
11008

> <supplier_cmpd_id>
T1138

> <smiles>
[Na+].C[C@H](CCC(=O)NCCS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"sodium taurocholate","Taurocholate sodium",145-42-6,145426,"Monosodium taurocholate","Taurocholate sodium salt",UNII-M6N3TH81NO,UNIIM6N3TH81NO,"Monosodium N-choloyltaurinate","Monosodium Ncholoyltau
rinate","Taurocholic acid sodium salt",M6N3TH81NO,"145-42-6 (Sodium)","145426 (Sodium)",CHEBI:36276,Sodi,T1138,TWA2417,"Taurocholic acid sodium salt hydrate","Sodium taurocholate hydrate"}

> <pdid>
PD017989

> <targets>
{Gastrotropin,"Bile salt-activated lipase"}

> <classes>
{"Membrane transporter/Ion channel",Others}

> <pubchem_cids>
{23666345}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 35  0  0  0  0            999 V2000
    7.5987    1.1057    0.0000 Cl  0  0
    5.0987    1.1057    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 N   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 N   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -14.2989    0.7273    0.0000 C   0  0
  -15.6002    1.4750    0.0000 C   0  0
  -16.8989    0.7228    0.0000 N   0  0
  -18.2002    1.4705    0.0000 C   0  0
  -18.2028    2.9705    0.0000 N   0  0
  -19.4989    0.7182    0.0000 N   0  0
  -20.8002    1.4660    0.0000 C   0  0
  -20.8028    2.9660    0.0000 N   0  0
  -22.0989    0.7137    0.0000 N   0  0
  -23.4002    1.4614    0.0000 C   0  0
  -24.6992    0.7114    0.0000 C   0  0
  -25.9983    1.4614    0.0000 C   0  0
  -25.9983    2.9614    0.0000 C   0  0
  -27.2974    3.7114    0.0000 Cl  0  0
  -24.6993    3.7115    0.0000 C   0  0
  -23.4003    2.9615    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 34 28  1  0
  7 35  1  0
 35 36  2  0
 36  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11540

> <plate>
PLATE 008

> <well>
C10

> <supplier_cmpd_name>
Chlorhexidine hydrochloride

> <ctcr_id>
3984

> <supplier_cmpd_id>
T1147

> <smiles>
Cl.Cl.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1

> <pd_targets>
{TP53,MAPT,CYP3A4,ALOX15,BLM,RORC,MAPK1,USP2,KMT2A,MEN1,PLIN1,SLC47A1,TSHR,UBE2N,GBA,RCE1,TIM10,PLIN5,SMOX,MMP2,FFP,PAOX,CYP2C19,HKDC1,CYP1A2,MMP9,LMNA,HTT,CYP2D6,HNF4A,MAP4K2,CYP2C9,RAD52,TPR,HIF1A,L
EF,MC4R,SLC22A2,PAX8,SYNJ2,SLC22A3,SLC47A2,SLC22A1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other cytosolic protein","Epigenetic regulator","Unclassified protein",Transporter,"Membrane receptor","Other nuclear protein",Protease,"Cytochrome P450",Oxidoreductase
,"Nuclear receptor",Kinase,Reader,"Electrochemical transporter","Family A G protein-coupled receptor",Aminoacyltransferase,Transferase,Hydrolase,"Cysteine protease","Cytochrome P450 family 3","Nuclear
 hormone receptor subfamily 1","Protein Kinase",Bromodomain,"SLC superfamily of solute carriers","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 2","Cytochrome P450 famil
y 1","Cysteine protease CA clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","SLC47 family of multidrug and toxin extrusion transporters","Gl
ycohormone receptor","Metallo protease MAM clan","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 2D","STE protein kinase group","Metallo protease MAE clan","Short pepti
de receptor (family A GPCR)","SLC22 family of organic cation and anion transporters","Cysteine protease C1A family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","CMGC 
protein kinase MAPK family","Cysteine protease C19 family","Metallo protease M10A subfamily","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 2D6","STE protein kinase STE20 family","Cytoc
hrome P450 2C9","Metallo protease M34 family","Melanocortin receptor","CMGC protein kinase ERK1","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","Eicosanoid turnover","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Peptidases and proteinases","SLC superfamily of solute carriers","G protein-
coupled receptors","3.2.1.- Glycosidases","Inositol phosphate turnover","CYP3 family",Lipoxygenases,"1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C
) Peptidases","SLC47 family of multidrug and toxin extrusion transporters","Glycoprotein hormone receptors","MA: Metallo (M) Peptidases","CYP2 family: drug metabolising subset","CYP1 family","2A. Hepa
tocyte nuclear factor-4 receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Melanocortin receptors","SLC22 family of organic cation and anion transporters","Inositol polyp
hosphate phosphatases","Mitogen-activated protein kinases (MAP kinases)","C19: Ubiquitin-specific protease","M10: Matrix metallopeptidase","STE20 family","Organic cation transporters (OCT)","ERK subfa
mily","KHS subfamily"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System",Metabolism,"DNA Repair","Gene expression (Transcription)","Immune System","Transport of small molecules",Disease,"Developmental Biology","Cellular responses to external
 stimuli","Cell Cycle Checkpoints","Transmission across Chemical Synapses","Metabolism of lipids","DNA Double-Strand Break Repair","RNA Polymerase II Transcription","Innate Immune System","SLC-mediate
d transmembrane transport","Infectious disease","Biological oxidations","Nervous system development",Mitotic,"Cellular responses to stress","G1/S DNA Damage Checkpoints","Neurotransmitter receptors an
d postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Generic Transcription Pathway","Toll-like Receptor Cascades","Triglyceride m
etabolism","Transport of bile salts and organic acids","metal ions and amine compounds","Leishmania infection","Sphingolipid metabolism","Phase I - Functionalization of compounds","Axon guidance","M P
hase","Cellular response to hypoxia","Uptake and actions of bacterial toxins","Phospholipid metabolism","p53-Dependent G1/S DNA damage checkpoint","Activation of NMDA receptors and postsynaptic events
","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Toll Like R
eceptor 5 (TLR5) Cascade","Transcriptional Regulation by TP53","Triglyceride catabolism","Leishmania parasite growth and survival","Toll Like Receptor 4 (TLR4) Cascade","Glycosphingolipid metabolism",
"Amine Oxidase reactions","EPH-Ephrin signaling","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Nuclear Receptor transcription p
athway","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Uptake and function of anthrax toxins","Organic cation/anion/zwitterion transport","PI Metabolism","p53-Dependent G1
 DNA Damage Response","Post NMDA receptor activation events","Biosynthesis of maresins","Biosynthesis of DPAn-3 SPMs","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and 
Cell Migration","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","MyD88-independent TLR4 cascade","PAOs o
xidise polyamines to amines","EPH-ephrin mediated repulsion of cells",Xenobiotics,"Mitotic Anaphase","Regulation of MECP2 expression and activity","HDR through Single Strand Annealing (SSA)","Organic 
cation transport","Synthesis of PIPs at the plasma membrane","Stabilization of p53","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protec
tins and resolvins","Homologous DNA Pairing and Strand Exchange","MAP kinase activation","Regulation of TP53 Expression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","TRIF
(TICAM1)-mediated TLR4 signaling","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Autodegradation of the E3 ubiquitin ligase C
OP1","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","IKK complex recruitment mediated by RIP1
","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS026750041,"Chlorhexidine dihydrochloride",3697-42-5,3697425,"CHLORHEXIDINE HYDROCHLORIDE","Chlorhexidine HCl",chlorhexidine,chlorhexidinedihydrochloride,UNII-E64XL9U38K,UNIIE64XL9U38K,AY-5312,AY5
312,"Chlorhexidine (dihydrochloride)",C22H32Cl4N10,E64XL9U38K,Chlorhexi,T1147,T1000,1500177,"Chlorhexidine hydrochloride",Chlorhexidine,CHLORHEXIDINE}

> <pdid>
PD009668

> <targets>
{}

> <classes>
{disinfectant,"antibacterial (topical)"}

> <pubchem_cids>
{66810670,9571016,62517}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    1.2973   -2.2519    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 Cl  0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11541

> <plate>
PLATE 008

> <well>
C11

> <supplier_cmpd_name>
Fenofibrate

> <ctcr_id>
979

> <supplier_cmpd_id>
T1149

> <smiles>
CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2

> <pd_targets>
{FABP1,LMNA,TSHR,MAPK1,CYP2C9,NFO,KMT2A,MEN1,BLM,CYP3A4,PPARA,PPARG,FTL,CYP2C19,ABCB11,FABP2,TDP1,FFP,MAPT,CHRM1,ATM,PMP22,RORC,HPGD,USP2,NPSR1,CYP1A2,ADRB3,MTOR,HTR2C,SLC6A3,HTR2A,ADORA3,SLC6A2,DRD3,
ACHE,MMP25,NR1I2}

> <pathway_gtopdb>
{"Auxiliary transport protein",Enzyme,"Other nuclear protein","Membrane receptor","Epigenetic regulator","Transcription factor","Unclassified protein",Transporter,"Other cytosolic protein","Fatty acid
 binding protein family",Protease,"Family A G protein-coupled receptor",Kinase,"Cytochrome P450",Hydrolase,Reader,"Nuclear receptor","Primary active transporter",Transferase,"Electrochemical transport
er","Cysteine protease","Peptide receptor (family A GPCR)","Protein Kinase","Cytochrome P450 family 2",Bromodomain,"Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","ATP-binding casset
te","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","SLC superfamily of solute carriers","Metallo protease","Cysteine protease CA clan","Glycohormone receptor","CMGC protein kinas
e group","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group C","ABCB subfamily","Monoamine receptor","Atypical protein kinase group","Nuclear hormone r
eceptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Cytochrome P450 family 1A","SLC06 neurotransmitter transporter family","Nucleotide-like receptor (family A GPCR)","Metallo protea
se MAM clan","Nuclear hormone receptor subfamily 1 group I","Cysteine protease C1A family","CMGC protein kinase MAPK family","Cytochrome P450 2C9","Cytochrome P450 3A4","Nuclear hormone receptor subfa
mily 1 group C member 1","Nuclear hormone receptor subfamily 1 group C member 3","Cytochrome P450 2C19","Acetylcholine receptor","Atypical protein kinase PIKK family","Nuclear hormone receptor subfami
ly 1 group F member 3","Cysteine protease C19 family","Neuropeptide receptor","Cytochrome P450 1A1","Adrenergic receptor","Serotonin receptor","Adenosine receptor","Dopamine receptor","Metallo proteas
e M10A subfamily","Nuclear hormone receptor subfamily 1 group I member 2","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,Transporters,"Fatty acid-binding proteins","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Nuclear hormone receptors","ATP-binding ca
ssette transporter family","Eicosanoid turnover","Peptidases and proteinases","SLC superfamily of solute carriers","Acetylcholine turnover","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK
,GSK3,"CLK families","CYP2 family: drug metabolising subset","CYP3 family","1C. Peroxisome proliferator-activated receptors","ABCB subfamily","Acetylcholine receptors (muscarinic)",Atypical,"1F. Retin
oic acid-related orphans","Prostaglandin synthases","CA: Cysteine (C) Peptidases","Neuropeptide S receptor","CYP1 family",Adrenoceptors,"5-Hydroxytryptamine receptors","SLC6 neurotransmitter transport
er family","Adenosine receptors","Dopamine receptors","MA: Metallo (M) Peptidases","1I. Vitamin D receptor-like receptors","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' k
inase-related kinases (PIKK) family","C19: Ubiquitin-specific protease","Monoamine transporter subfamily","M10: Matrix metallopeptidase","ERK subfamily","Other PIKK family kinases","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Immune System","DNA Repair","Gene expression (Transcription)","Vesicle-mediated transport","Neuronal System","Signal Transduction","Developmental Biology","Extracellu
lar matrix organization","Metabolism of proteins","Metabolism of lipids",Mitotic,"Infectious disease","Innate Immune System","Biological oxidations","DNA Double-Strand Break Repair","RNA Polymerase II
 Transcription","Membrane Trafficking","Transmission across Chemical Synapses","Signaling by GPCR","Cell Cycle Checkpoints","Nervous system development","Disorders of transmembrane transporters","Degr
adation of the extracellular matrix","Post-translational protein modification","Regulation of lipid metabolism by PPARalpha","M Phase","Leishmania infection","Toll-like Receptor Cascades","Phase I - F
unctionalization of compounds","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Generic Transcription Pathway","trans-Golgi Network Vesi
cle Budding","Triglyceride metabolism","Nonhomologous End-Joining (NHEJ)","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","G1/S DNA Damage Checkpoints","EGR2 an
d SOX10-mediated initiation of Schwann cell myelination","SLC transporter disorders","Phospholipid metabolism","Activation of Matrix Metalloproteinases",SUMOylation,"PPARA activates gene expression","
Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HR
R) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional Regulation by MECP2","Golgi Associated Vesicle Biogen
esis","Bile acid and bile salt metabolism","Triglyceride catabolism","Activation of NMDA receptors and postsynaptic events","Class A/1 (Rhodopsin-like receptors)","p53-Dependent G1/S DNA damage checkp
oint","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)
","Glycerophospholipid biosynthesis","SUMO E3 ligases SUMOylate target proteins","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on pla
sma membrane",Xenobiotics,"HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Activation of gene expression by SREBF (SREBP)","MECP2 regulates transcription factors","Synthesis of
 bile acids and bile salts","Post NMDA receptor activation events","Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response","RUNX3 Regulates Immune Response and Cell Migration","Biosynt
hesis of D-series resolvins","Regulation of TP53 Activity","Nucleotide-like (purinergic) receptors","Synthesis of PC","SUMOylation of intracellular receptors","Nuclear Envelope (NE) Reassembly","ADORA
2B mediated anti-inflammatory cytokines production","MAP kinase activation","CYP2E1 reactions","Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","Synthesis of bile acids
 and bile salts via 7alpha-hydroxycholesterol","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","Stabilization of p53","Regulation of TP53 Expression and Degradation","Ar
omatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Serotonin receptors","Adenosine P1 receptors","Dopamine receptors","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuc
lear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","ERK/MAPK targ
ets","ERKs are inactivated"}

> <broad_targets>
{MMP25,PPARA}

> <broad_moa>
{"PPAR receptor agonist"}

> <synonyms>
{fenofibrate,49562-28-9,49562289,Procetofen,Lipantil,Tricor,Lipanthyl,Fenobrate,Lipidil,Secalip,Antara,Finofibrate,Lipoclar,Lipofene,Proctofene,Triglide,Fenogal,Lipirex,Sedufen,Elasterin,Fenoglide,Fen
otard,Protolipan,Ankebin,Lipidex,Lipifen,Lipofen,Lip,T1149,SAM002264613,1501010,Prestw-275,Fenofibrate,CPD000058299,FENOFIBRATE}

> <pdid>
PD001506

> <targets>
{}

> <classes>
{antihyperlipidemic}

> <pubchem_cids>
{3339}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 C   0  0
    3.8883   -6.7578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11542

> <plate>
PLATE 008

> <well>
D2

> <supplier_cmpd_name>
Bupropion hydrochloride

> <ctcr_id>
2483

> <supplier_cmpd_id>
T1150

> <smiles>
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1

> <pd_targets>
{CHRNA3,CHRNB4,CHRNA4,CHRNB2,SLC6A3,SLC6A4,SLC6A2,CHRNA7,ALDH1A1,ITGA5,CHRNA1,CHRNB1,CHRND,CHRNG,CYP2C19,HTR3A}

> <pathway_gtopdb>
{"Ion channel",Transporter,Enzyme,"Ligand-gated ion channel","Electrochemical transporter",Oxidoreductase,"Cytochrome P450","Nicotinic acetylcholine receptor","SLC superfamily of solute carriers","Cyt
ochrome P450 family 2","5HT3 receptor","Nicotinic acetylcholine receptor alpha subunit","SLC06 neurotransmitter transporter family","Cytochrome P450 family 2C","Cytochrome P450 2C19"}

> <pathway_chembl>
{Transporters,"Ion channels",Enzymes,"SLC superfamily of solute carriers","Ligand-gated ion channels","Cytochrome P450","SLC6 neurotransmitter transporter family","Nicotinic acetylcholine receptors","
CYP2 family: drug metabolising subset","5-HT<sub>3</sub> receptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System",Metabolism,"Disorders of transmembrane transporters","Transmission across Chemical Synapses","Biological oxidations","SLC transporter disorders","Neurotransmitter clearance"
,"Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Serotonin clearance fro
m the synaptic cleft","Defective SLC6A2 causes orthostatic intolerance (OI)","Acetylcholine binding and downstream events","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","Postsynap
tic nicotinic acetylcholine receptors",Xenobiotics,"Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","CYP2E1 reactions"}

> <broad_targets>
{SLC6A2,SLC6A3}

> <broad_moa>
{"dopamine reuptake inhibitor"}

> <synonyms>
{bupropion,Amfebutamone,34911-55-2,34911552,2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one,2(tertbutylamino)1(3chlorophenyl)propan1one,Amfebutamon,Wellbutrin,amfebutamonum,Amfebutamona,(+-)-Buprop
ion,(+)Bupropion,34841-39-9,34841399,Elontril,Wellbatrin,Zyban,"AMFEBUTAMONE HCl","Bupropion SR","Bupropion hydroclori",T1150,SAM001246699,"Bupropion hydrochloride",CPD000472526}

> <pdid>
PD003148

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{444}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 58 60  0  0  1  0            999 V2000
    3.8722  -11.2500    0.0000 C   0  0
    5.1745  -10.5056    0.0000 C   0  0
    5.1818   -9.0048    0.0000 C   0  0  1  0  0  0
    3.8849   -8.2511    0.0000 O   0  0
    3.8897   -6.7502    0.0000 C   0  0
    2.5928   -5.9965    0.0000 O   0  0
    5.1913   -6.0031    0.0000 C   0  0  2  0  0  0
    6.4882   -6.7568    0.0000 C   0  0
    5.1961   -4.5023    0.0000 C   0  0  1  0  0  0
    4.2323   -3.3518    0.0000 O   0  0
    2.7539   -3.6103    0.0000 C   0  0  1  0  0  0
    2.2359   -5.0181    0.0000 C   0  0
    0.7578   -5.2734    0.0000 C   0  0  1  0  0  0
   -0.7261   -5.4925    0.0000 C   0  0
    1.7332   -6.3871    0.0000 O   0  0
    1.2858   -7.8189    0.0000 C   0  0
   -0.2024   -4.1210    0.0000 C   0  0  1  0  0  0
   -1.6805   -4.3764    0.0000 O   0  0
    0.3155   -2.7133    0.0000 C   0  0  2  0  0  0
   -0.6447   -1.5609    0.0000 C   0  0
    1.7936   -2.4579    0.0000 O   0  0
    6.4977   -3.7551    0.0000 C   0  0  2  0  0  0
    7.7946   -4.5088    0.0000 C   0  0
    6.5025   -2.2543    0.0000 C   0  0  1  0  0  0
    5.2033   -1.5029    0.0000 O   0  0
    5.2036   -0.0021    0.0000 C   0  0  2  0  0  0
    6.5043    0.7452    0.0000 O   0  0
    6.5075    2.2452    0.0000 C   0  0  2  0  0  0
    7.8082    2.9923    0.0000 C   0  0
    5.2102    2.9980    0.0000 C   0  0
    3.9095    2.2509    0.0000 C   0  0  1  0  0  0
    3.9062    0.7509    0.0000 C   0  0  1  0  0  0
    2.6055    0.0038    0.0000 O   0  0
    2.6098    3.0015    0.0000 N   0  0
    1.3102    2.2525    0.0000 C   0  0
    2.6105    4.5015    0.0000 C   0  0
    7.8041   -1.5072    0.0000 C   0  0  2  0  0  0
    9.1224   -0.7916    0.0000 C   0  0
    6.4898   -0.7844    0.0000 O   0  0
    9.1010   -2.2609    0.0000 C   0  0
    9.0963   -3.7617    0.0000 C   0  0  1  0  0  0
   10.3932   -4.5154    0.0000 C   0  0
    7.7946   -4.5088    0.0000 C   0  0
    6.4955   -3.7574    0.0000 N   0  0
    7.4604   -2.6079    0.0000 O   0  0
    8.9385   -2.8678    0.0000 C   0  0
   10.4166   -2.6074    0.0000 O   0  0
   11.3818   -3.7566    0.0000 C   0  0
   12.8599   -3.4962    0.0000 C   0  0
   13.8251   -4.6455    0.0000 O   0  0
   15.3024   -4.3853    0.0000 C   0  0
    7.7899   -6.0097    0.0000 C   0  0  2  0  0  0
    9.0868   -6.7634    0.0000 C   0  0
    6.4882   -6.7568    0.0000 C   0  0  1  0  0  0
    5.1913   -6.0031    0.0000 O   0  0
    6.4835   -8.2576    0.0000 C   0  0  1  0  0  0
    6.4437   -9.7571    0.0000 C   0  0
    7.7667   -7.4809    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  1
 11 10  1  1
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  6
 19 21  1  0
 21 11  1  0
  9 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  1
 26 25  1  1
 26 27  1  0
 27 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 26  1  0
 32 33  1  6
 31 34  1  1
 34 35  1  0
 34 36  1  0
 24 37  1  0
 37 38  1  1
 37 39  1  0
 37 40  1  0
 40 41  1  0
 41 42  1  1
 41 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 43 52  1  0
 52 53  1  6
 52 54  1  0
 54 55  1  6
 54 56  1  0
 56  3  1  0
 56 57  1  1
 56 58  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11543

> <plate>
PLATE 008

> <well>
D3

> <supplier_cmpd_name>
Roxithromycin

> <ctcr_id>
2115

> <supplier_cmpd_id>
T1151

> <smiles>
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O

> <pd_targets>
{MLNR,ADRA1B,RPLJ}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Monoamine receptor","M
otilin receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Motilin receptor",Adrenoceptors}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors","Amine ligand-binding receptors",Adrenoceptors}

> <broad_targets>
{MLNR}

> <broad_moa>
{"bacterial 50S ribosomal subunit inhibitor"}

> <synonyms>
{RESTW85,roxithromycin,Rulide,Roxithromycine,Roxithromycinum,Roxitromicina,80214-83-1,80214831,"RU 965","RU 28965",UNII-21KOF230FA,UNII21KOF230FA,RU-965,RU965,Rulid,CHEBI:48935,21KOF230FA,RU-28965,RU2
8965,9-(O-((2-Methoxyethoxy)methyl)oxime)erythromycin,9(O((2Methoxyethoxy)methyl)oxime)erythromycin,"(9E)-erythromycin 9-(O-((2-methoxyet","(9E)erythromycin 9(O((2methoxyet",1503276,Prestw-854,ROXITHR
OMYCIN,Roxithromycin}

> <pdid>
PD001009

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{6915744}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5497    4.4223    0.0000 N   0  0
   -1.7974    5.7210    0.0000 C   0  0
   -0.2974    5.7184    0.0000 O   0  0
   -2.5451    7.0223    0.0000 O   0  0
   -1.7933    8.3203    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 12 18  1  0
 18  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11544

> <plate>
PLATE 008

> <well>
D4

> <supplier_cmpd_name>
Albendazole

> <ctcr_id>
11009

> <supplier_cmpd_id>
T1152

> <smiles>
CCCSc1cc2c(cc1)nc(NC(=O)OC)[nH]2

> <pd_targets>
{IMPA1,HPGD,TP53,LMNA,MAPK1,SMN1,NPSR1,CYP1A2,KMT2A,MEN1,AMPC,TUBA1A,TUBB4B,HTR1E,HIF1A,HTR1A,NS1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other nuclear protein","Epigenetic regulator","Membrane receptor","Structural protein",Hydrolase,Kinase,Reader,"Family A G protein-coupled receptor","Cytochrome P450","
Protein Kinase","Methyl-lysine/arginine binding protein","Peptide receptor (family A GPCR)","Cytochrome P450 family 1",Bromodomain,"Small molecule receptor (family A GPCR)","CMGC protein kinase group"
,"Tudor domain","Short peptide receptor (family A GPCR)","Cytochrome P450 family 1A","Monoamine-derivative receptor (family A GPCR)","CMGC protein kinase MAPK family","Neuropeptide receptor","Cytochro
me P450 1A1","Melatonin receptor","CMGC protein kinase ERK1","Unclassified protein","Monoamine receptor","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Inositol phosphate turnover","Eicosanoid turnover","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cytochrome P450","Catalytic receptors",Tubulins,"In
ositol monophosphatase","Prostaglandin synthases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","CYP1 family","Receptor guanylyl cyclase (RGC) family","Mitogen-activated pr
otein kinases (MAP kinases)","Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase","ERK subfamily","5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Immune System","Metabolism of RNA",Disease,"Inositol phosphate metabolism","Metabolism of lipids","Cell Cycle Checkpoints",Mitotic,"Innate Immune System","Metabolism of non-c
oding RNA","Infectious disease","Biological oxidations","Synthesis of IP2",IP,"and Ins in the cytosol","Biosynthesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpoints","M Phas
e","Toll-like Receptor Cascades","snRNP Assembly","Leishmania infection","Phase I - Functionalization of compounds","Mitotic G2-G2/M phases","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA 
damage checkpoint","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","G2/M Transition","Bi
osynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leishmania parasite infec
tion",Xenobiotics,"Centrosome maturation","Stabilization of p53","Nuclear Envelope (NE) Reassembly","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines c
an be N-hydroxylated or N-dealkylated by CYP1A2","Loss of proteins required for interphase microtubule organization from the centrosome","Autodegradation of the E3 ubiquitin ligase COP1","Initiation o
f Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","ERK/MAPK targets","ERKs are inactivated","Signal Transduction","Cell
ular responses to external stimuli","Signaling by GPCR","Cellular responses to stress","GPCR ligand binding","Cellular response to hypoxia","Class A/1 (Rhodopsin-like receptors)","Oxygen-dependent pro
line hydroxylation of Hypoxia-inducible Factor Alpha","Amine ligand-binding receptors","Serotonin receptors"}

> <broad_targets>
{TUBB,TUBB4B}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{54965-21-8,54965218,Albenza,Eskazole,Valbazen,Zentel,Proftril,Albendazolum,"SK&F 62979","SKF 62979","Methyl 5-(propylthio)-2-benzimidazolecarbamate","Methyl 5(propylthio)2benzimidazolecarbamate","met
hyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate","methyl N(6propylsulfanyl1Hbenzimidazol2yl)carbamate",SK&F-62979,SK&F62979,5-(Propylthio)-2-car,5(Propylthio)2car,T1152,Albendazole}

> <pdid>
PD000815

> <targets>
{microtubule}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{2082}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 57 62  0  0  1  0            999 V2000
    6.9692    0.5880    0.0000 C   0  0
    5.6521   -0.1299    0.0000 O   0  0
    4.3700    0.6500    0.0000 C   0  0  1  0  0  0
    4.3700    2.3400    0.0000 C   0  0
    5.5900    3.1300    0.0000 C   0  0
    5.5900    4.7100    0.0000 O   0  0
    3.1600    4.7100    0.0000 C   0  0  1  0  0  0
    4.2207    3.6493    0.0000 C   0  0
    3.1600    3.1300    0.0000 O   0  0
    1.9400    2.3400    0.0000 C   0  0
    1.9400    0.6500    0.0000 C   0  0
    3.2536   -0.0742    0.0000 C   0  0
    0.7200   -0.1200    0.0000 C   0  0
    0.7172   -1.6200    0.0000 O   0  0
   -0.4900    0.6500    0.0000 C   0  0
   -1.7000   -0.1200    0.0000 C   0  0
   -1.6972   -1.6200    0.0000 O   0  0
   -2.9200    0.6500    0.0000 C   0  0
   -4.1300   -0.1200    0.0000 N   0  0
   -4.1300   -1.5800    0.0000 C   0  0
   -2.8122   -2.2966    0.0000 O   0  0
   -5.3500   -2.3700    0.0000 C   0  0
   -5.3500   -4.4000    0.0000 C   0  0
   -4.1300   -5.3100    0.0000 C   0  0
   -2.9200   -4.4000    0.0000 C   0  0
   -1.7000   -5.3100    0.0000 C   0  0  2  0  0  0
   -1.6970   -6.8100    0.0000 C   0  0
   -0.4900   -4.4000    0.0000 C   0  0  2  0  0  0
   -0.4900   -2.9000    0.0000 O   0  0
    0.7200   -5.3100    0.0000 C   0  0  1  0  0  0
    0.6178   -6.8065    0.0000 C   0  0
    1.9400   -4.6300    0.0000 C   0  0  1  0  0  0
    3.2333   -5.3898    0.0000 O   0  0
    1.9400   -2.6000    0.0000 C   0  0  1  0  0  0
    0.6010   -1.9239    0.0000 C   0  0
    3.1600   -1.7000    0.0000 C   0  0  2  0  0  0
    4.4905   -2.3967    0.0000 O   0  0
    4.5529   -3.8962    0.0000 C   0  0
    3.2860   -4.6992    0.0000 C   0  0
    5.8816   -4.5923    0.0000 O   0  0
    3.1600   -0.1200    0.0000 C   0  0  2  0  0  0
    1.8451    0.6018    0.0000 C   0  0
   -6.6678   -1.6534    0.0000 C   0  0
   -2.9200    2.3400    0.0000 C   0  0
   -4.1300    3.1300    0.0000 N   0  0
   -5.3500    2.3400    0.0000 C   0  0
   -6.5700    3.1300    0.0000 C   0  0
   -6.5700    4.7100    0.0000 C   0  0
   -7.8878    5.4266    0.0000 C   0  0
   -5.3500    5.5000    0.0000 C   0  0
   -4.1300    4.7100    0.0000 C   0  0
   -1.7000    4.7100    0.0000 N   0  0
   -1.7000    3.1300    0.0000 C   0  0
   -0.4900    2.3400    0.0000 C   0  0
    0.7200    3.1300    0.0000 C   0  0
    0.7200    4.7100    0.0000 C   0  0
   -0.3407    5.7707    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  1  1
 26 28  1  0
 28 29  1  6
 28 30  1  0
 30 31  1  6
 30 32  1  0
 32 33  1  6
 32 34  1  0
 34 35  1  1
 34 36  1  0
 36 37  1  1
 37 38  1  0
 38 39  1  0
 38 40  2  0
 36 41  1  0
 41  3  1  0
 41 42  1  6
 22 43  1  0
 18 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  1  0
 48 50  2  0
 50 51  1  0
 51 45  1  0
 51 52  2  0
 52 53  1  0
 53 44  2  0
 53 54  1  0
 54 15  1  0
 54 55  2  0
 55 10  1  0
 55 56  1  0
 56  7  1  0
 56 57  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11545

> <plate>
PLATE 008

> <well>
D5

> <supplier_cmpd_name>
Rifaximin

> <ctcr_id>
477

> <supplier_cmpd_id>
T1154

> <smiles>
CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C)c5n6ccc(C)cc6nc5c4c3C2=O

> <pd_targets>
{ALD,MAPK1,MAPT,THRB,GAA,FTL,NR1I2,ABCB11,ABCC3,ABCC2,ABCC4,RPOA,RPOB,RPOC,RPOZ}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Transcription factor","Unclassified protein",Transporter,Kinase,"Nuclear receptor",Hydrolase,"Primary active transporter",Transferase,"Protein Kinase","Nuclear hormo
ne receptor subfamily 1","ATP-binding cassette","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 1 group I","ABCB subfamily","ABCC subfami
ly","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group A member 2","Nuclear hormone receptor subfamily 1 group I member 2","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","3.2.1.- Glycosidases","ATP-binding cassette transporter family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1A.
 Thyroid hormone receptors","1I. Vitamin D receptor-like receptors","ABCB subfamily","ABCC subfamily","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Immune System","Neuronal System","Metabolism of proteins",Disease,"Vesicle-mediated transport",Metabolism,Hemostasis,"Innate Immune System","Transmission across Chemical Synapses","Post-translationa
l protein modification","Diseases of metabolism","Membrane Trafficking","Metabolism of lipids","Disorders of transmembrane transporters","Platelet activation","signaling and aggregation","Toll-like Re
ceptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission",SUMOylation,"Diseases of carbohydrate metabolism","trans-Golgi Network Vesicle Budding","Metabolism of steroids","ABC
 transporter disorders","Response to elevated platelet cytosolic Ca2+","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","SUMO E3 ligases SUMOylate target pr
oteins","Glycogen storage diseases","Golgi Associated Vesicle Biogenesis","Bile acid and bile salt metabolism","Defective ABCC2 causes DJS","Platelet degranulation","MyD88 cascade initiated on plasma 
membrane","Post NMDA receptor activation events","SUMOylation of intracellular receptors","Glycogen storage disease type II (GAA)","Synthesis of bile acids and bile salts","Recycling of bile acids and
 salts","MAP kinase activation","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear events mediated by MAP kinases",
"ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"RNA synthesis inhibitor"}

> <synonyms>
{Rifaximin,SMR000466324,80621-81-4,MLS000759430,MLS001424186,MLS003882589,CHEMBL1467058,HMS2051D18,HMS2232N07,CCG-101048,MCULE-1303528930,NC00298,SBI-0206751.P001,SR-01000759340,SR-01000759340-4,SAM00
1246597,CPD000466324}

> <pdid>
PD002883

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{72111}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -3.9021    3.7404    0.0000 N   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2089    5.9859    0.0000 N   0  0
   -2.6108    5.9949    0.0000 N   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -0.0128    6.0039    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
 13 14  1  0
  5 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19  3  1  0
 19 20  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11546

> <plate>
PLATE 008

> <well>
D6

> <supplier_cmpd_name>
Trimethoprim

> <ctcr_id>
2280

> <supplier_cmpd_id>
T1153

> <smiles>
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC

> <pd_targets>
{DHFR,BLM,KMT2A,MEN1,FOLA,DFRA17,NFKB1,DFR1,SLC22A1,LEF,DFRA,HSD17B10,CYP3A4,DHFRI,TSHR,CHRM1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein",Transporter,"Membrane receptor",Oxidoreductase,Reader,"Electrochemical transporter",Protease,"Cytochrome P450","Family A G protein-coupled rece
ptor",Bromodomain,"SLC superfamily of solute carriers","Metallo protease","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","SLC22 family of organ
ic cation and anion transporters","Metallo protease MAE clan","Cytochrome P450 family 3A","Glycohormone receptor","Monoamine receptor","Metallo protease M34 family","Cytochrome P450 3A4","Acetylcholin
e receptor"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","Cytochrome P450","G protein-coupled receptors","SLC22 family of organic cation and anion transporters","
CYP3 family","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Cell Cycle","DNA Repair","Immune System","Transport of small molecules",Disease,Metabolism,"Signal Transduction",Mitotic,"DNA Double-Strand Break Repair","Cytokine Signaling in Immune system","SLC-m
ediated transmembrane transport","Infectious disease","Metabolism of amino acids and derivatives","Metabolism of lipids","Signaling by GPCR","Mitotic G1 phase and G1/S transition","Homology Directed R
epair","Signaling by Interleukins","Transport of bile salts and organic acids","metal ions and amine compounds","Uptake and actions of bacterial toxins","Branched-chain amino acid catabolism","Biosynt
hesis of specialized proresolving mediators (SPMs)","Leishmania infection","GPCR ligand binding","G1/S Transition","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interl
eukin-1 family signaling","Organic cation/anion/zwitterion transport","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Class A/1 (R
hodopsin-like receptors)","G1/S-Specific Transcription","HDR through Homologous Recombination (HRR)","Interleukin-1 signaling","Organic cation transport","Biosynthesis of maresins","Anti-inflammatory 
response favouring Leishmania parasite infection","Amine ligand-binding receptors","Homologous DNA Pairing and Strand Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-li
ke SPMs","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{DHFR,TYMS}

> <broad_moa>
{"dihydrofolate reductase inhibitor"}

> <synonyms>
{trimethoprim,738-70-5,738705,Proloprim,Trimpex,Trimetoprim,Bactramin,Monotrim,Monotrimin,Trimopan,"2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine","2,4Diamino5(3,4,5trimethoxybenzyl)pyrimidine",Mon
oprim,Syraprim,Trimanyl,Wellcoprim,Triprim,Uretrim,5-(3,5(3,4,5-trimethoxybenzyl)pyrimidine-2,5trimethoxybenzyl)pyrimidine2,4-diam,4diam,T1153,SAM002264649,1500595,Prestw-208,Trimethoprim,CPD000035999
,TRIMETHOPRIM}

> <pdid>
PD002101

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5578}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    1.7932   -8.3203    0.0000 C   0  0
    2.5451   -7.0223    0.0000 O   0  0
    1.7974   -5.7210    0.0000 C   0  0
    0.2974   -5.7184    0.0000 O   0  0
    2.5497   -4.4224    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14  6  2  0
 11 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11547

> <plate>
PLATE 008

> <well>
D7

> <supplier_cmpd_name>
Mebendazole

> <ctcr_id>
1318

> <supplier_cmpd_id>
T1155

> <smiles>
COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3ccccc3

> <pd_targets>
{ABL1,KDR,HIF1A,HTT,IMPA1,ALDH1A1,CYP1A2,LMNA,LEF,CDPK1,ABCC4,TUBA1A,TUBB4B}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Other nuclear protein",Transporter,"Membrane receptor","Structural protein",Kinase,Hydrolase,Oxidoreductase,"Cytochrome P450",Protease,"Primary a
ctive transporter","Family A G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 1","Metallo protease","ATP-binding cassette","Small molecule receptor (family A GPCR)","TK protein kin
ase group","Cytochrome P450 family 1A","Metallo protease MAE clan","ABCC subfamily","Monoamine-derivative receptor (family A GPCR)","Tyrosine protein kinase Abl family","Tyrosine protein kinase VEGFR 
family","Cytochrome P450 1A1","Metallo protease M34 family","Melatonin receptor"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Other protein targets","Catalytic receptors","Inositol phosphate turnover","Cytochrome P450","ATP-binding cassette transporter family",Tubulins,"Receptor kinases","Ino
sitol monophosphatase","CYP1 family","ABCC subfamily","Receptor guanylyl cyclase (RGC) family","TK: Tyrosine kinase","Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase","Non-receptor tyrosine kin
ases (nRTKs)","Receptor tyrosine kinases (RTKs)","Abl family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Cellular responses to external stimuli","Gene expression (Transcription)",Metabolism,"Cell Cycle",Hemostasis,"Infectious disease","Signaling by Receptor Tyrosine Kinase
s","Cellular responses to stress","RNA Polymerase II Transcription","Inositol phosphate metabolism","Biological oxidations",Mitotic,"Platelet activation","signaling and aggregation","Leishmania infect
ion","Signaling by VEGF","Cellular response to hypoxia","Generic Transcription Pathway","Synthesis of IP2",IP,"and Ins in the cytosol","Phase I - Functionalization of compounds","M Phase","Uptake and 
actions of bacterial toxins","Response to elevated platelet cytosolic Ca2+","Mitotic G2-G2/M phases","Parasite infection","VEGFA-VEGFR2 Pathway","Oxygen-dependent proline hydroxylation of Hypoxia-indu
cible Factor Alpha","Transcriptional Regulation by MECP2","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","P
latelet degranulation","G2/M Transition","Leishmania phagocytosis","VEGFR2 mediated cell proliferation","Regulation of MECP2 expression and activity",Xenobiotics,"Mitotic Anaphase","Centrosome maturat
ion","FCGR3A-mediated phagocytosis","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Loss of proteins required for interphase microtubule organiza
tion from the centrosome","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{mebendazole,31431-39-7,31431397,Vermox,Telmin,Mebenvet,Pantelmin,Vermirax,Mebenoazole,Ovitelmin,Bantenol,Mebutar,Lomper,MBDZ,Besantin,Vermicidin,Verpanyl,Noverme,Mebendazol,"Methyl (5-benzoyl-1H-benz
o(d)imidazol-2-yl)carbamate","Methyl (5benzoyl1Hbenzo(d)imidazol2yl)carbamate",Mebendazolum,5-Benzoyl,5Benzoyl,T1155,SAM002548959,1501110,Prestw-217,Mebendazole,CPD000036734,MEBENDAZOLE}

> <pdid>
PD001898

> <targets>
{}

> <classes>
{anthelmintic}

> <pubchem_cids>
{4030}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 46 50  0  0  1  0            999 V2000
   12.4667   -2.0887    0.0000 C   0  0
   12.4642   -0.5887    0.0000 C   0  0
   13.7623    0.1630    0.0000 C   0  0
   11.1637    0.1605    0.0000 C   0  0
   11.1613    1.6613    0.0000 C   0  0
   12.4594    2.4130    0.0000 C   0  0
    9.8600    2.4100    0.0000 C   0  0  2  0  0  0
    9.8600    4.0000    0.0000 C   0  0  1  0  0  0
   11.1798    4.7128    0.0000 C   0  0
    8.6400    4.8000    0.0000 C   0  0
    8.6417    6.2999    0.0000 N   0  0
    7.3433    7.0526    0.0000 O   0  0
    7.3451    8.5526    0.0000 C   0  0
    7.4100    4.0000    0.0000 C   0  0
    7.4100    2.4100    0.0000 C   0  0  2  0  0  0
    8.6400    1.6100    0.0000 O   0  0
    6.1800    3.2100    0.0000 O   0  0
    4.9400    2.4100    0.0000 C   0  0  2  0  0  0
    3.7100    3.2100    0.0000 C   0  0
    2.4800    2.4100    0.0000 C   0  0
    1.2500    3.2100    0.0000 C   0  0
    0.0200    2.4100    0.0000 C   0  0
    0.0200    0.7000    0.0000 C   0  0  1  0  0  0
   -1.2767   -0.0540    0.0000 C   0  0
    1.2500    0.0000    0.0000 C   0  0
    1.2500   -1.6800    0.0000 C   0  0
    2.4800   -2.4800    0.0000 C   0  0
    2.4800   -4.1900    0.0000 C   0  0
    1.2500   -4.9900    0.0000 C   0  0
    1.2500   -6.5900    0.0000 O   0  0
    3.7100   -6.5900    0.0000 C   0  0  1  0  0  0
    3.7100   -4.9900    0.0000 C   0  0  1  0  0  0
    2.3915   -5.7053    0.0000 O   0  0
    4.9400   -4.1900    0.0000 C   0  0  1  0  0  0
    6.1800   -4.9900    0.0000 C   0  0
    6.1800   -6.5900    0.0000 C   0  0
    7.5181   -7.2678    0.0000 C   0  0
    4.9400   -7.5000    0.0000 C   0  0  1  0  0  0
    4.9371   -9.0000    0.0000 O   0  0
    4.9400   -2.4800    0.0000 C   0  0
    3.6228   -1.7623    0.0000 O   0  0
    6.1800   -1.6800    0.0000 O   0  0
    6.1800    0.0000    0.0000 C   0  0  2  0  0  0
    7.4100    0.7000    0.0000 C   0  0
    4.9400    0.7000    0.0000 C   0  0
    1.2500    4.7100    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  7  5  1  1
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 10 14  1  0
 15 14  1  1
 15 16  1  0
 16  7  1  0
 15 17  1  0
 18 17  1  1
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 31 30  1  1
 31 32  1  0
 32 28  1  0
 32 33  1  6
 32 34  1  0
 34 35  1  6
 35 36  2  3
 36 37  1  0
 36 38  1  0
 38 31  1  0
 38 39  1  1
 34 40  1  0
 40 41  2  0
 40 42  1  0
 43 42  1  1
 43 44  1  0
 44 15  1  0
 43 45  1  0
 45 18  1  0
 21 46  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11548

> <plate>
PLATE 008

> <well>
D8

> <supplier_cmpd_name>
Moxidectin

> <ctcr_id>
11010

> <supplier_cmpd_id>
T1157

> <smiles>
CC(C)/C=C(\C)/[C@@H]1[C@@H](C)/C(=N/OC)/C[C@]2(O1)O[C@@H]1C/C=C(/C[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C(C)[C@H]4O)C(=O)O[C@H](C2)C1)\C

> <pd_targets>
{GLUCLX}

> <pathway_gtopdb>
{"Ion channel","Ligand-gated ion channel"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"chloride channel antagonist"}

> <synonyms>
{Moxidectin,Cydectin,UNII-TYC529328W,UNIITYC529328W,"UNII TYC529328W",113507-06-5,113507065,"113507 06 5",TYC529328W,DSSTox_CID_17577,DSSToxCID17577,DSSTox-CID-17577,"DSSTox CID 17577",DSSTox_RID_7934
1,DSSToxRID79341,DSSTox-RID-79341,"DSSTox RID 79341","DSSTox RID",T1157}

> <pdid>
PD000514

> <targets>
{"GluCl channels"}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{16760141}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  1  0            999 V2000
   10.8279    0.2172    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    2.5987    1.5004    0.0000 C   0  0  2  0  0  0
    3.2934    2.6608    0.0000 C   0  0
    4.6008    2.7144    0.0000 N   0  0
    5.8279    1.6149    0.0000 C   0  0
    5.1150    0.3667    0.0000 C   0  0
    3.9905    1.5229    0.0000 C   0  0
    4.4442    3.2932    0.0000 C   0  0
    5.2075    4.1844    0.0000 C   0  0
    8.3279    0.2172    0.0000 H   0  3
  2  3  2  0
  3  4  1  0
  4  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14  3  1  0
 14 15  2  0
 15  6  1  0
 15 10  1  0
 16  4  1  6
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  CHG  2   1  -1  24   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11549

> <plate>
PLATE 008

> <well>
D9

> <supplier_cmpd_name>
Palonosetron hydrochloride

> <ctcr_id>
6382

> <supplier_cmpd_id>
T1156

> <smiles>
[Cl-].O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]4CN5CCC4CC5.[H+]

> <pd_targets>
{HTR3A,HTR3B,KCNH2,SCN5A,KCNE1,KCNQ1}

> <pathway_gtopdb>
{"Ion channel","Ligand-gated ion channel","Voltage-gated ion channel","5HT3 receptor","Potassium channels","Voltage-gated sodium channel","Voltage-gated potassium channel"}

> <pathway_chembl>
{"Ion channels","Ligand-gated ion channels","Voltage-gated ion channels","5-HT<sub>3</sub> receptors","Potassium channels","Voltage-gated sodium channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Neuronal System","Muscle contraction","Developmental Biology","Transmission across Chemical Synapses","Cardiac conduction","Nervous system development","Neurotransmitter receptors and postsynaptic s
ignal transmission","Phase 3 - rapid repolarisation","Axon guidance","L1CAM interactions","Interaction between L1 and Ankyrins"}

> <broad_targets>
{HTR3A}

> <broad_moa>
{"serotonin receptor antagonist"}

> <synonyms>
{"Palonosetron hydrochloride",135729-62-3,135729623,Aloxi,"PALONOSETRON HCl",Onicit,"Palonosetron (Hydrochloride)",UNII-23310D4I19,UNII23310D4I19,RS-25259-197,RS25259197,"(3aS)-palonosetron hydrochlor
ide","(3aS)palonosetron hydrochloride",CHEBI:85157,"RS 25259-197","RS 25259197",23310D4I19,"Aloxi (TN)",DSSTox_CID_26610,DSSToxCID26610,DSSTox-CID-26610,"DSSTox CID 26610",DSSTox,T1156,SAM001246791,CP
D000469233}

> <pdid>
PD013065

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6918303}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 22  0  0  0  0            999 V2000
   11.4837   -4.5059    0.0000 H   0  3
    8.9837   -4.5059    0.0000 Cl  0  5
    5.1937   -3.0093    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5917   -6.0086    0.0000 C   0  0
    2.5912   -7.5095    0.0000 C   0  0
    1.2924   -8.2599    0.0000 Cl  0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  4 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11550

> <plate>
PLATE 008

> <well>
D10

> <supplier_cmpd_name>
Phenoxybenzamine hydrochloride

> <ctcr_id>
5741

> <supplier_cmpd_id>
T1158

> <smiles>
[H+].[Cl-].CC(COc1ccccc1)N(CCCl)Cc2ccccc2

> <pd_targets>
{TSHR,ALOX15,GLA,SCN1A,SCN2A,SCN3A,ADRA2B,DRD1,DRD2,DRD3,DRD4,DRD5,ADRA1A,ADRA1B,ADRA1D,ALDH1A1,HIF1A,GROES,GROL,KDM4E,TGR,NPSR1,LMNA,CYP3A4,HSPD1,HSPE1,THRB,LEF,NFO,TDP1,KMT2A,MEN1,SLC22A2,SLC22A1,SL
C22A3,ADRA2A,ADRA2C,CALM1,CYP2C19,CHRM1,CYP2D6,NFKB1,CYP2C9,CYP1A2}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Ion channel","Transcription factor","Unclassified protein","Epigenetic regulator","Other nuclear protein","Other cytosolic protein",Transporter,"Family A G protein-coupled
 receptor",Oxidoreductase,Hydrolase,"Voltage-gated ion channel",Eraser,"Cytochrome P450","Nuclear receptor",Protease,Reader,"Electrochemical transporter","Peptide receptor (family A GPCR)","Voltage-ga
ted sodium channel","Small molecule receptor (family A GPCR)","Lysine demethylase","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Metallo protease",Bromodomain,"SLC superfamily of 
solute carriers","Glycohormone receptor","Monoamine receptor","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 gro
up A","Metallo protease MAE clan","SLC22 family of organic cation and anion transporters","Adrenergic receptor","Dopamine receptor","Neuropeptide receptor","Cytochrome P450 3A4","Nuclear hormone recep
tor subfamily 1 group A member 2","Metallo protease M34 family","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 family 1A
","Cytochrome P450 2C19","Acetylcholine receptor","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Cytochrome P450","Nuclear hormone receptors","SLC superfamily of solute carriers","Gl
ycoprotein hormone receptors",Lipoxygenases,Adrenoceptors,"1.14.11.- Histone demethylases","Neuropeptide S receptor","CYP3 family","1A. Thyroid hormone receptors","SLC22 family of organic cation and a
nion transporters","Organic cation transporters (OCT)","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","CYP1 family"}

> <pathway_reactome>
{Disease,Metabolism,"Signal Transduction","Cellular responses to external stimuli","Cell Cycle","Metabolism of proteins","DNA Repair","Transport of small molecules","Neuronal System","Infectious disea
se","Metabolism of lipids","Signaling by GPCR","Biological oxidations","Cellular responses to stress",Mitotic,"Post-translational protein modification","DNA Double-Strand Break Repair","SLC-mediated t
ransmembrane transport","Transmission across Chemical Synapses","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Sphingolipid metabolism","GPCR ligand binding","Phas
e I - Functionalization of compounds","Cellular response to hypoxia","M Phase",SUMOylation,"Uptake and actions of bacterial toxins","Nonhomologous End-Joining (NHEJ)","Transport of bile salts and orga
nic acids","metal ions and amine compounds","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania parasite growth and survival","Biosynthesis of DPA-derived SPMs","Glycosphingo
lipid metabolism","Class A/1 (Rhodopsin-like receptors)","Ethanol oxidation","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Mitotic Metaphase and Anaphase","Biosynthesis o
f DHA-derived SPMs","SUMO E3 ligases SUMOylate target proteins","Uptake and function of anthrax toxins","Organic cation/anion/zwitterion transport","Activation of NMDA receptors and postsynaptic event
s","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","Amine ligand-binding receptors","Mitotic Anaphase","Biosynthesis of maresins","SUMOylation of int
racellular receptors","Organic cation transport","Post NMDA receptor activation events","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of DPAn-3-derived protectins and resolvi
ns",Adrenoceptors,"Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Initiation of Nuclear Envel
ope (NE) Reformation","Ras activation upon Ca2+ influx through NMDA receptor","Immune System","Cytokine Signaling in Immune system","Signaling by Interleukins","Cytochrome P450 - arranged by substrate
 type","Interleukin-1 family signaling",Xenobiotics,"Interleukin-1 signaling","CYP2E1 reactions","Muscarinic acetylcholine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Aromatic amines can 
be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{Dibenzyline,"Bensylyt NEN","Phenoxybenzamine chloride",NCI-C01661,NCIC01661,"Phenoxybenzamine hydrochloride (USP)","N-2-Phenoxyisopropyl-N-benzyl-chloroethylamine hydrochloride","N2PhenoxyisopropylNb
enzylchloroethylamine hydrochloride","Dibenzyline chloride","2-(N-Benzyl-2-chloroethylamino)-1-phenoxypropane hydrochl","2(NBenzyl2chloroethylamino)1phenoxypropane hydrochl",T1158,S2499,SAM002564244,2
300176,Prestw-944,"Phenoxybenzamine hydrochloride","Phenoxybenzamine HCl",CPD000058422,"PHENOXYBENZAMINE HYDROCHLORIDE"}

> <pdid>
PD009637

> <targets>
{"Androgen Receptor"}

> <classes>
{"GPCR & G Protein","alpha adrenergic blocker"}

> <pubchem_cids>
{6141,657233,5284441}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.9105   -6.2349    0.0000 C   0  0
    4.0312   -5.2378    0.0000 C   0  0
    5.4984   -5.5497    0.0000 O   0  0
    6.2484   -4.2507    0.0000 N   0  0
    5.2447   -3.1359    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -2.5998    3.0004    0.0000 F   0  0
   -3.8976    0.7500    0.0000 F   0  0
   -3.8982    2.2498    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11551

> <plate>
PLATE 008

> <well>
D11

> <supplier_cmpd_name>
Leflunomide

> <ctcr_id>
4780

> <supplier_cmpd_id>
T1159

> <smiles>
Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F

> <pd_targets>
{DHODH,SMN1,BLM,CYP3A4,GMNN,CYP2C19,NPC1,CYP2C9,THPO,LMNA,RAB9A,THRB,TP53,PYK,PMP22,CHRM1,HTT,CYP1A2,RORC,NPSR1,SLC6A2,SLC6A3,MAOA,AHR,PTK2B}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Transporter,"Other nuclear protein","Transcription factor","Membrane receptor",Oxidoreductase,Reader,"Cytochrome P450",Hydrolase,"Nuclear receptor
",Transferase,"Family A G protein-coupled receptor","Electrochemical transporter",Kinase,"Methyl-lysine/arginine binding protein","Cytochrome P450 family 3","Cytochrome P450 family 2","Nuclear hormone
 receptor subfamily 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Protein Kinase","Tudor domain","Cyt
ochrome P450 family 3A","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group A","Monoamine receptor","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group F","Shor
t peptide receptor (family A GPCR)","SLC06 neurotransmitter transporter family","TK protein kinase group","Cytochrome P450 3A4","Cytochrome P450 2C19","Cytochrome P450 2C9","Nuclear hormone receptor s
ubfamily 1 group A member 2","Acetylcholine receptor","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3","Neuropeptide receptor","Tyrosine protein kinase Fak family"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Other protein targets","1.-.-.- Oxidoreductases","Cytochrome P450","SLC superfamily of solute carriers","Nuclear hormone receptors","G protein-coupled receptors","Cate
cholamine turnover","Aryl hydrocarbon receptor","Catalytic receptors","CYP3 family","CYP2 family: drug metabolising subset","SLC65 NPC-type cholesterol transporters","1A. Thyroid hormone receptors","A
cetylcholine receptors (muscarinic)","CYP1 family","1F. Retinoic acid-related orphans","Neuropeptide S receptor","SLC6 neurotransmitter transporter family","Receptor kinases","Monoamine transporter su
bfamily","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Fak family"}

> <pathway_reactome>
{Metabolism,"Metabolism of RNA","DNA Repair","Cell Cycle","Transport of small molecules",Hemostasis,"Signal Transduction","Metabolism of proteins","Developmental Biology","Gene expression (Transcripti
on)",Disease,"Immune System","Metabolism of nucleotides","Metabolism of non-coding RNA","DNA Double-Strand Break Repair","Metabolism of lipids",Mitotic,"Biological oxidations","Plasma lipoprotein asse
mbly",remodeling,"and clearance","Platelet activation","signaling and aggregation","Signaling by Rho GTPases","Post-translational protein modification","Cell Cycle Checkpoints","Nervous system develop
ment","Signaling by GPCR","RNA Polymerase II Transcription","Infectious disease","Disorders of transmembrane transporters","Cytokine Signaling in Immune system","Nucleobase biosynthesis","snRNP Assemb
ly","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compounds","Plasma lipoprotein clearan
ce","Platelet Aggregation (Plug Formation)","M Phase","Rho GTPase cycle",SUMOylation,"G1/S DNA Damage Checkpoints","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR ligand binding
","Generic Transcription Pathway","Leishmania infection","SLC transporter disorders","Signaling by Interleukins","Pyrimidine biosynthesis","HDR through Homologous Recombination (HRR) or Single Strand 
Annealing (SSA)","Biosynthesis of DHA-derived SPMs","G1/S Transition","Cytochrome P450 - arranged by substrate type","LDL clearance","Mitotic Metaphase and Anaphase","RHOBTB GTPase Cycle","SUMO E3 lig
ases SUMOylate target proteins","p53-Dependent G1/S DNA damage checkpoint","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","Leishmani
a parasite growth and survival","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Amine Oxidase reactions","Interleukin-2 family
 signaling","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Activation of the pre-replicative complex",Xenobiotics,"Mitotic Anaphase","RHOBTB3 ATPase cycle","SUMOylation of in
tracellular receptors","p53-Dependent G1 DNA Damage Response","Amine ligand-binding receptors","Regulation of MECP2 expression and activity","RUNX3 Regulates Immune Response and Cell Migration","Anti-
inflammatory response favouring Leishmania parasite infection","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Endogenous sterols","Interleukin-2 signaling","Homologous DNA
 Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Muscarinic acetylcholine receptors","Aromatic amines can
 be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelo
pe (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{AHR,DHODH,PTK2B}

> <broad_moa>
{"dihydroorotate dehydrogenase inhibitor","PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{75706-12-6,75706126,Arava,lefunamide,Leflunomida,Leflunomidum,"5-methyl-N-(4-(trifluoromethyl)phenyl)-1,2-oxazole-4-carboxamide","5methylN(4(trifluoromethyl)phenyl)1,2oxazole4carboxamide","HWA 486","
Leflunomidum (INN-Latin)","Leflunomidum (INNLatin)",HWA-486,HWA486,5-methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide,5methylN(4(trifluoromethyl)phenyl)isoxazole4carboxamide,SU10,T1159,1503
927,Prestw-772,Leflunomide,LEFLUNOMIDE}

> <pdid>
PD000803

> <targets>
{Dihydroorotate Dehydrogenase}

> <classes>
{antineoplastic,PDGF receptor blocker,Metabolic Enzyme/Protease}

> <pubchem_cids>
{3899}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 40  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0  1  0  0  0
   -2.5981   -4.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 O   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0  1  0  0  0
   -6.2918   -4.0166    0.0000 C   0  0
   -5.6729   -5.3830    0.0000 C   0  0  2  0  0  0
   -4.1822   -5.2166    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0  2  0  0  0
   -3.0830   -4.3307    0.0000 C   0  0
   -6.4164   -6.6837    0.0000 O   0  0
   -7.9172   -6.6912    0.0000 C   0  0
   -8.6733   -5.3956    0.0000 C   0  0
   -8.6616   -7.9934    0.0000 O   0  0
   -7.7611   -3.7227    0.0000 C   0  0
   -8.7526   -4.8493    0.0000 C   0  0
  -10.2243   -4.5549    0.0000 C   0  0
  -11.2158   -5.6815    0.0000 C   0  0
  -12.6874   -5.3871    0.0000 C   0  0
  -13.6784   -6.5131    0.0000 C   0  0
  -13.1676   -3.9660    0.0000 C   0  0
   -8.2444   -2.3018    0.0000 C   0  0
   -7.2557   -1.1737    0.0000 O   0  0
   -9.7155   -2.0091    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9  2  1  0
  9 10  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  1
 12 14  1  0
 14  7  1  0
 14 15  1  0
 15 16  1  1
 15 17  1  0
 18 17  1  6
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 12  1  0
 22 18  1  0
 22 23  1  6
 20 24  1  6
 24 25  1  0
 25 26  1  0
 25 27  2  0
 19 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 32 34  1  0
 28 35  1  0
 35 36  1  0
 35 37  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11552

> <plate>
PLATE 008

> <well>
E2

> <supplier_cmpd_name>
Fusidine

> <ctcr_id>
4893

> <supplier_cmpd_id>
T1160

> <smiles>
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)C2[C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O

> <pd_targets>
{ABCC2,SKA,ABCB11,ALB,FUSA,CAT,CAT3,TGR}

> <pathway_gtopdb>
{Transporter,Enzyme,"Secreted protein","Primary active transporter",Kinase,"ATP-binding cassette","ABCC subfamily","ABCB subfamily"}

> <pathway_chembl>
{Transporters,"ATP-binding cassette transporter family","ABCC subfamily","ABCB subfamily"}

> <pathway_reactome>
{Disease,Metabolism,"Disorders of transmembrane transporters","Metabolism of lipids","ABC transporter disorders","Metabolism of steroids","Defective ABCC2 causes DJS","Bile acid and bile salt metaboli
sm","Synthesis of bile acids and bile salts","Recycling of bile acids and salts","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial 30S ribosomal subunit inhibitor"}

> <synonyms>
{SR-05000001633,SR05000001633,Spectrum5_000746,Spectrum5000746,Spectrum5-000746,"Spectrum5 000746",BSPBio_002056,BSPBio002056,BSPBio-002056,"BSPBio 002056",SPECTRUM1500311,CHEMBL134350,"Fusidic Acid &
 IFN-.ALPHA.","Fusidic Acid & IFN.ALPHA.",SCHEMBL17131845,HMS500D19,HMS1920B05,HMS2091H07,Pharmakon1600-01500311,Pharmakon160001500311,CCG-38828,CCG38828,NSC757040,NSC-757040,SDCCGMLS-0066566.P001,SDC
CGMLS0066566.P001,IDI1_000077,IDI1000077,IDI1-000077,"IDI1 000077",T1160,1500311,Fusidine,"FUSIDIC ACID"}

> <pdid>
PD002323

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{3001077}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 N   0  0
   -1.3032    3.7490    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  6 10  1  0
 10 11  1  0
 10 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11553

> <plate>
PLATE 008

> <well>
E3

> <supplier_cmpd_name>
Protionamide

> <ctcr_id>
3164

> <supplier_cmpd_id>
T1161

> <smiles>
CCCc1cc(ccn1)C(N)=S

> <pd_targets>
{LMNA,KDM4E,TSHR,CYP3A4}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator","Membrane receptor",Enzyme,Eraser,"Family A G protein-coupled receptor","Cytochrome P450","Lysine demethylase","Peptide receptor (family A GPCR)","Cytoc
hrome P450 family 3","Jumonji domain-containing","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","G protein-coupled receptors","Cytochrome P450","1.14.11.- Histone demethylases","Glycoprotein hormone receptors","CYP3 family"}

> <pathway_reactome>
{"Cell Cycle",Disease,Metabolism,Mitotic,"Infectious disease","Metabolism of lipids","M Phase","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic Metaphase and
 Anaphase","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresin
s","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Protionamide,prothionamide,14222-60-7,14222607,Ektebin,2-propylpyridine-4-carbothioamide,2propylpyridine4carbothioamide,Protionamid,Trevintix,Peteha,2-Propylthioisonicotinamide,2Propylthioisonicotina
mide,2-Propyl-thioisonicotinamide,Tuberex,Protionizina,Tebeform,2-Propylisonicotinylthioamide,2Propylisonicotinylthioamide,4-Pyridinecarbo,4Pyridinecarbo,T1161,1505316,Prestw-1321,PROTIONAMIDE,Prothio
namide}

> <pdid>
PD000945

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{666418}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  3
    0.0000   -3.0000    0.0000 O   0  5
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
M  CHG  2   7   1   8  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11554

> <plate>
PLATE 008

> <well>
E4

> <supplier_cmpd_name>
Acipimox

> <ctcr_id>
4169

> <supplier_cmpd_id>
T1162

> <smiles>
Cc1cnc(c[n+]1[O-])C(O)=O

> <pd_targets>
{HCAR2}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Carboxylic acid receptor","Hydroxycarboxylic acid receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Hydroxycarboxylic acid receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Hydroxycarboxylic acid-binding receptors"}

> <broad_targets>
{HCAR2}

> <broad_moa>
{"cholesterol inhibitor"}

> <synonyms>
{SR-05000001505-2,SR050000015052,W-105921,W105921,ACIPIMOX,51037-30-0,51037300,"5-Carboxy-2-methylpyrazine 1-oxide","5Carboxy2methylpyrazine 1oxide",Olbemox,Olbetam,"5-methylpyrazine-2-carboxylic acid
 4-oxide","5methylpyrazine2carboxylic acid 4oxide","5-Methylpyrazinecarboxylic acid 4-oxide","5Methylpyrazinecarboxylic acid 4oxide","2-CARBOXY-5-METHYLPYRAZINE 4-OXIDE","2CARBOXY5METHYLPYRAZINE 4OXID
E",K-9321,K9321,5-methyl-4-oxid,5methyl4oxid,T1162,Prestw-1127,Acipimox}

> <pdid>
PD000727

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5310993}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
   -7.2226   -5.0795    0.0000 C   0  0
   -6.1714   -4.0094    0.0000 C   0  0
   -4.7181   -4.3840    0.0000 C   0  0
   -3.6663   -3.3134    0.0000 C   0  0
   -2.2130   -3.6880    0.0000 C   0  0
   -1.8114   -5.1333    0.0000 O   0  0
   -1.1612   -2.6174    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.2703   -4.0021    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.7499   -4.3804    0.0000 C   0  0
    1.7256   -4.5995    0.0000 O   0  0
   -0.2668   -5.4844    0.0000 C   0  0
    0.1798   -6.9164    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22 16  1  0
 22 23  1  0
 22 24  1  0
 24 13  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29  8  1  0
 29 12  1  0
 29 30  1  0
  8 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11555

> <plate>
PLATE 008

> <well>
E5

> <supplier_cmpd_name>
Betamethasone 17-valerate

> <ctcr_id>
2755

> <supplier_cmpd_id>
T1163

> <smiles>
CCCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)CO

> <pd_targets>
{NR3C1,RORC,FTL}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1","Unclassified p
rotein",Enzyme,Protease,"Nuclear hormone receptor subfamily 1","Cysteine protease","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 grou
p F member 3","Cysteine protease C1A family"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","FOXO-mediated transcription of oxidative stress","metabolic and neur
onal genes","Vesicle-mediated transport","Membrane Trafficking","trans-Golgi Network Vesicle Budding","Transcriptional regulation by RUNX3","Golgi Associated Vesicle Biogenesis","RUNX3 Regulates Immun
e Response and Cell Migration"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{"Betamethasone 17-valerate","Betamethasone 17valerate",2152-44-5,2152445,Betamethasone-17-valerate,Betamethasone17valerate,SCHEMBL221479,".beta.-Methasone 17-valerate",".beta.Methasone 17valerate","B
etamethasone Valerate Impurity C",STL451052,AKOS037482517,MCULE-1450194230,MCULE1450194230,LS-15203,LS15203,FT-0603592,FT0603592,T1163,S1690,"Betamethasone Valerate"}

> <pdid>
PD002454

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{578771}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8190    4.6599    0.0000 S   0  0
   -4.9546    1.9903    0.0000 S   0  0
   -3.9492    0.8772    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11556

> <plate>
PLATE 008

> <well>
E6

> <supplier_cmpd_name>
Anethole trithione

> <ctcr_id>
974

> <supplier_cmpd_id>
T1285

> <smiles>
COc1ccc(cc1)C2=CC(=S)SS2

> <pd_targets>
{RORC,KMT2A,MEN1}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator","Nuclear receptor",Reader,"Nuclear hormone receptor subfamily 1",Bromodomain,"Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor sub
family 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{}

> <broad_moa>
{"glutathione transferase stimulant"}

> <synonyms>
{RESTW122,"Anethole trithione",532-11-6,532116,anetholtrithion,"5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione","5(4Methoxyphenyl)3H1,2dithiole3thione",Sulfarlem,Tiopropen,Trithioanethole,Felviten,Hepor
al,Mucinol,Sulfogal,Tiotrifar,"3H-1,2-Dithiole-3-thione, 5-(4-methoxyphenyl)-","3H1,2Dithiole3thione, 5(4methoxyphenyl)","Anethole (trithione)",T1285,Prestw-1223,Anethole-trithione}

> <pdid>
PD012017

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2194}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
   -2.1567   -3.7722    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2237   -5.5078    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    4.4142   -3.9859    0.0000 C   0  0
    5.4142   -5.1039    0.0000 C   0  0
    6.8824   -4.7969    0.0000 C   0  0
    7.8825   -5.9148    0.0000 Cl  0  0
    7.3506   -3.3718    0.0000 C   0  0
    6.3506   -2.2538    0.0000 C   0  0
    6.8188   -0.8287    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
  6 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  4  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11557

> <plate>
PLATE 008

> <well>
E7

> <supplier_cmpd_name>
Lonidamine

> <ctcr_id>
2802

> <supplier_cmpd_id>
T0239

> <smiles>
OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c3ccccc13

> <pd_targets>
{TSHR,PMP22,AMPC,CYP3A4,CYP2C9,HIF1A,NPSR1,RORC,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Transcription factor","Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450","Nuclear receptor","Peptide receptor (family A GPCR)","Cytoc
hrome P450 family 3","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Short
 peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 1A","Cytochrome P450 3A4","Cytochrome P450 2C9","Neuropeptide receptor","Nuclear hormone recep
tor subfamily 1 group F member 3","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Nuclear hormone receptors","Glycoprotein hormone receptors","CYP3 family","CYP2 family: drug metabolising subset","Neuropeptide S re
ceptor","1F. Retinoic acid-related orphans","CYP1 family"}

> <pathway_reactome>
{Disease,"Developmental Biology",Metabolism,"Cellular responses to external stimuli","Gene expression (Transcription)","Infectious disease","Nervous system development","Metabolism of lipids","Biologi
cal oxidations","Cellular responses to stress","RNA Polymerase II Transcription","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of specialized pr
oresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular response to hypoxia","Generic Transcription Pathway","Leishmania parasite growth and survival","Biosynthesis of DHA-de
rived SPMs","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Anti-inflammatory response 
favouring Leishmania parasite infection","Biosynthesis of maresins",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","ADORA2B mediated anti-inflammatory cytokines production","Biosynth
esis of maresin-like SPMs","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{GCK}

> <broad_moa>
{"glucokinase inhibitor"}

> <synonyms>
{50264-69-2,50264692,lonidamine,"1-(2,4-Dichlorobenzyl)-1H-indazole-3-carboxylic acid","1(2,4Dichlorobenzyl)1Hindazole3carboxylic acid","Diclondazolic acid",Doridamina,DICA,Lonidamina,Lonidaminum,Loni
damin,"AF 1890","1-((2,4-dichlorophenyl)methyl)-1H-indazole-3-carboxylic acid","1((2,4dichlorophenyl)methyl)1Hindazole3carboxylic acid",1-(2,1(2,4-Dichlorbenzyl)-i,4Dichlorbenzyl)i,T0239,S2610,Lonidam
ine}

> <pdid>
PD002694

> <targets>
{Others,Apoptosis,Hexokinase,Mitochondrial Metabolism}

> <classes>
{Others,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{39562}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 O   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9100    8.2496    0.0000 C   0  0
   -3.9100    9.7496    0.0000 C   0  0
   -2.6110   10.4997    0.0000 C   0  0
   -2.6111   11.9997    0.0000 F   0  0
   -1.3119    9.7497    0.0000 C   0  0
   -1.3119    8.2497    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
    1.2910   -8.2504    0.0000 Cl  0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -1.3071   -9.7503    0.0000 N   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -3.9073   -5.2526    0.0000 O   0  0
   -5.2053   -6.0044    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  5 17  1  0
 17 18  1  0
 18 19  1  0
 19  3  1  0
 19 20  1  1
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 23  1  0
 30 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11558

> <plate>
PLATE 008

> <well>
E8

> <supplier_cmpd_name>
Cisapride

> <ctcr_id>
3269

> <supplier_cmpd_id>
T1291

> <smiles>
CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c3cc(Cl)c(N)cc3OC

> <pd_targets>
{MAPT,GSC2,KCNH2,HTR4,HTR3A,HTR2A,CYP2D6,CYP3A4,AMPC,RAD52,ADRA2A,ADRA1A,ADRA1B,HTR1A,HTR3B,HTR3C,HTR3D,HTR3E,HTR7,DRD2,HTR2B,HTR2C,ADRA1D,ADRA2B,ADRA2C,HTR1B,HTR1D,HTR1F,HMGCR,DRD3,CACNA1C,SLC6A4,SCN
5A,SIGMAR1,CACNA1D,CACNA1F,CACNA1S,ABCB11}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Ion channel","Membrane receptor","Other nuclear protein",Transporter,Transferase,"Voltage-gated ion channel","Family A G protein-coupled receptor","Ligand-gated ion 
channel","Cytochrome P450",Hydrolase,Oxidoreductase,"Electrochemical transporter","Primary active transporter","Potassium channels","Small molecule receptor (family A GPCR)","5HT3 receptor","Cytochrom
e P450 family 2","Cytochrome P450 family 3","Voltage-gated calcium channel","SLC superfamily of solute carriers","Voltage-gated sodium channel","ATP-binding cassette","Voltage-gated potassium channel"
,"Monoamine receptor","Cytochrome P450 family 2D","Cytochrome P450 family 3A","SLC06 neurotransmitter transporter family","ABCB subfamily","Serotonin receptor","Cytochrome P450 2D6","Cytochrome P450 3
A4","Adrenergic receptor","Dopamine receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,Enzymes,Transporters,"Other protein targets","Voltage-gated ion channels","G protein-coupled receptors","Ligand-gated ion channels","Cytochrome P450","Lanosterol biosynthesis
 pathway","SLC superfamily of solute carriers","Sigma receptors","ATP-binding cassette transporter family","Potassium channels","5-Hydroxytryptamine receptors","5-HT<sub>3</sub> receptors","CYP2 famil
y: drug metabolising subset","CYP3 family",Adrenoceptors,"Dopamine receptors","Voltage-gated calcium channels","SLC6 neurotransmitter transporter family","Voltage-gated sodium channels","ABCB subfamil
y","Voltage-gated potassium channels","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Neuronal System","Muscle contraction",Disease,"Signal Transduction",Metabolism,"DNA Repair","Developmental Biology","Transmission across Chemical Synapses","Cardiac conduction","Infectious disease",
"Signaling by GPCR","Biological oxidations","Metabolism of lipids","DNA Double-Strand Break Repair","Nervous system development","Neurotransmitter receptors and postsynaptic signal transmission","Phas
e 3 - rapid repolarisation","Leishmania infection","GPCR ligand binding","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repai
r","Metabolism of steroids","Axon guidance","Neurotransmitter clearance","SARS-CoV Infections","Activation of NMDA receptors and postsynaptic events","Leishmania parasite growth and survival","Class A
/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Regulati
on of cholesterol biosynthesis by SREBP (SREBF)","NCAM signaling for neurite out-growth","Serotonin clearance from the synaptic cleft","L1CAM interactions","Potential therapeutics for SARS","Bile acid
 and bile salt metabolism","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors",Xenobiotics,"Biosynthesis of mar
esins","HDR through Single Strand Annealing (SSA)","Activation of gene expression by SREBF (SREBP)","NCAM1 interactions","Interaction between L1 and Ankyrins","Synthesis of bile acids and bile salts",
"Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors","CYP2E1 reactions","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Dopamine
 receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{HTR2A,HTR3A,HTR4,KCNH2}

> <broad_moa>
{"serotonin receptor agonist"}

> <synonyms>
{RESTW43,cisapride,81098-60-4,81098604,CHEMBL74656,Rel-Cisapride,RelCisapride,NCGC00016944-01,NCGC0001694401,(?)-Cisapride,(?)Cisapride,CAS-81098-60-4,CAS81098604,Prestwick3_000430,Prestwick3000430,Pr
estwick3-000430,"Prestwick3 000430",BSPBio_000420,BSPBio000420,BSPBio-000420,"BSPBio 000420",MLS002153807,BPBio1_000462,BPBio1000462,BPBio1-000462,"BPBio1 000462",SCHEMBL1759279,CHEBI:93034,HMS2096E22
,HMS2234H05,HMS3713E22,HMS3886E17,ZINC4215367,BDBM503886,Prestw-430,Cisapride}

> <pdid>
PD009896

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5311047}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 30  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    0.0000   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 S   0  5
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8926    3.7566    0.0000 O   0  0
   -1.2948    3.7516    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3070    5.2494    0.0000 O   0  0
    2.6016    2.9971    0.0000 C   0  0
    2.6003    1.4978    0.0000 O   0  0
    3.8990    0.7455    0.0000 C   0  0
    5.1996    1.4928    0.0000 O   0  0
    3.8964   -0.7545    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6044   -2.9986    0.0000 O   0  0
    3.9057   -3.7463    0.0000 C   0  0
    3.9097   -5.2463    0.0000 O   0  0
    5.2029   -2.9932    0.0000 C   0  0
   16.6990    1.1281    0.0000 Au  0  3
   11.5990    1.8778    0.0000 P   0  0
   10.2990    2.6278    0.0000 C   0  0
    8.9997    1.8782    0.0000 C   0  0
   12.8990    2.6278    0.0000 C   0  0
   14.1982    1.8782    0.0000 C   0  0
   11.6021    0.3770    0.0000 C   0  0
   12.9022   -0.3712    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  1
  4  8  1  6
  8  9  1  0
  9 10  2  0
  9 11  1  0
  3 12  1  1
 12 13  1  0
 13 14  2  0
 13 15  1  0
  2 16  1  6
 16 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 26 31  1  0
 31 32  1  0
M  CHG  2   7  -1  25   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11559

> <plate>
PLATE 008

> <well>
E9

> <supplier_cmpd_name>
Auranofin

> <ctcr_id>
11011

> <supplier_cmpd_id>
T1303

> <smiles>
[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C.[Au+].P(CC)(CC)CC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AURANOFIN,SCHEMBL5188854,Q421230,T1303,Auranofin}

> <pdid>
PD055562

> <targets>
{TrxR,Bacterial,SARS-CoV}

> <classes>
{Others,Anti-infection}

> <pubchem_cids>
{16667669}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 36  0  0  1  0            999 V2000
    8.9958    2.6232    0.0000 Cl  0  0
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0  1  0  0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
   -3.8976   -0.7554    0.0000 N   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 O   0  0
    2.5980    6.0000    0.0000 C   0  0
    2.5980    7.5000    0.0000 C   0  0
    1.2990    8.2500    0.0000 O   0  0
    3.8971    8.2500    0.0000 C   0  0
    5.1961    7.5000    0.0000 C   0  0
    5.1961    6.0000    0.0000 C   0  0
    6.4952    5.2501    0.0000 Cl  0  0
    3.8971    5.2500    0.0000 C   0  0
    3.8971    3.7500    0.0000 C   0  0  2  0  0  0
    3.8617    2.2505    0.0000 C   0  0
    5.1782    4.5303    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  5  3  1  6
  5  6  1  0
  6  7  1  1
  8  7  1  1
  8  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12  6  1  0
 12 13  1  6
 12 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 17  5  1  0
 17 18  1  0
 16 19  1  0
 19 20  2  0
 19 21  1  0
  9 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31 24  1  0
 31 32  1  0
 32  8  1  0
 32 33  1  6
 32 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11560

> <plate>
PLATE 008

> <well>
E10

> <supplier_cmpd_name>
Chlortetracycline hydrochloride

> <ctcr_id>
4914

> <supplier_cmpd_id>
T1304

> <smiles>
Cl.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Chlortetracycline HCl","Chlortetracycline hydrochloride",64-72-2,64722,"7-Chlorotetracycline hydrochloride","7Chlorotetracycline hydrochloride",MFCD00082440,C22H23ClN2O8.HCl,Prestwick_60,Prestwick60
,Prestwick-60,"Prestwick 60",CHEMBL1537344,"Chlortetracycline hydrochloride,(S)",s4156,AKOS015951221,CCG-269812,CCG269812,K043,J10007,C,T1304,NSC13252,1500186,Prestw-145,"NSC 13252","CHLORTETRACYCLINE
 HYDROCHLORIDE",CLTC}

> <pdid>
PD009058

> <targets>
{}

> <classes>
{antiamebic,"Ca chelator","hepatotoxic; inhibits protein synthesis",antibacterial}

> <pubchem_cids>
{54684459}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 40  0  0  0  0            999 V2000
    5.5894   -5.3738    0.0000 C   0  0
    4.1404   -5.7617    0.0000 C   0  0
    5.2009   -6.8225    0.0000 C   0  0
    2.6908   -6.1504    0.0000 C   0  0
    2.3019   -7.5991    0.0000 O   0  0
    1.6302   -5.0896    0.0000 O   0  0
    4.5294   -4.3122    0.0000 O   0  0
    5.9791   -3.9234    0.0000 N   0  0
    6.3681   -2.4739    0.0000 C   0  0
    7.8173   -2.0835    0.0000 C   0  0
    8.3359   -0.6897    0.0000 C   0  0
    9.8337   -0.7705    0.0000 S   0  0
   10.2197   -2.2200    0.0000 C   0  0
    8.9604   -3.0350    0.0000 N   0  0
   11.6192   -2.7597    0.0000 N   0  0
    5.3049   -1.4146    0.0000 C   0  0
    5.6908    0.0349    0.0000 O   0  0
    3.8557   -1.8049    0.0000 N   0  0
    2.7967   -0.7500    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    2.7967    0.7500    0.0000 C   0  0
    3.8573    1.8107    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 S   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  3
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3032    3.7490    0.0000 O   0  0
    1.2946    3.7531    0.0000 O   0  5
   24.1199   -1.9232    0.0000 O   0  0
   21.6199   -1.9232    0.0000 O   0  0
   19.1199   -1.9232    0.0000 O   0  0
   16.6199   -1.9232    0.0000 O   0  0
   14.1199   -1.9232    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 10  1  0
 13 15  1  0
  9 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 19  1  0
 22 23  2  0
 21 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  1  0
 27 20  1  0
 25 28  1  0
 28 29  1  0
 29 30  2  3
 30 31  1  0
 31 32  2  3
 32 33  1  0
 33 34  2  3
 34 29  1  0
 24 35  1  0
 35 36  2  0
 35 37  1  0
M  CHG  2  29   1  37  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11561

> <plate>
PLATE 008

> <well>
E11

> <supplier_cmpd_name>
Ceftazidime

> <ctcr_id>
332

> <supplier_cmpd_id>
T1305

> <smiles>
CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-].O.O.O.O.O

> <pd_targets>
{DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PBP3,PBPA,PONB,PBPG}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease SE clan","Serine protease unclassified","Serine protease S11 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ceftazidime pentahydrate","Ceftazidime (pentahydrate)","GR20263 (pentahydrate)",78439-06-2,78439062,GR20263,SW197161-3,SW1971613,T1305,S4314,Ceftazidime,"Ceftazidime Pentahydrate"}

> <pdid>
PD000275

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{73449854}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 F   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 N   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17  3  1  0
 17 11  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11562

> <plate>
PLATE 008

> <well>
F2

> <supplier_cmpd_name>
Norfloxacin

> <ctcr_id>
3294

> <supplier_cmpd_id>
T1306

> <smiles>
CCN1C=C(C(O)=O)C(=O)c2cc(F)c(cc12)N3CCNCC3

> <pd_targets>
{CYP2J2,GYRA,GYRB,KDM4E,TSHR,HPGD,PARC,HSD17B10,NPSR1,HTT,ALDH1A1,MDTK,TOP2B,LMNA,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,PARE,TOP2A
}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Unclassified protein",Transporter,"Other nuclear protein","Ion channel",Isomerase,Eraser,"Family A G protein-coupled receptor",Oxidoreductase,"Prima
ry active transporter","Ligand-gated ion channel","Lysine demethylase","Peptide receptor (family A GPCR)","ATP-binding cassette","GABA-A receptor","Jumonji domain-containing","Glycohormone receptor","
Short peptide receptor (family A GPCR)","ABCB subfamily","Neuropeptide receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Chromatin modifying enzymes","G protein-coupled receptors","Eicosanoid turnover","DNA topoisomerases","CYP2 family: drug metabolising subset","1.14.11.- Histone d
emethylases","Glycoprotein hormone receptors","Prostaglandin synthases","Neuropeptide S receptor"}

> <pathway_reactome>
{Metabolism,Disease,"Gene expression (Transcription)","Metabolism of proteins","Cell Cycle","Biological oxidations","Infectious disease","Metabolism of lipids","Metabolism of amino acids and derivativ
es","RNA Polymerase II Transcription","Post-translational protein modification",Mitotic,"Phase I - Functionalization of compounds","Leishmania infection","Biosynthesis of specialized proresolving medi
ators (SPMs)","Branched-chain amino acid catabolism","Generic Transcription Pathway",SUMOylation,"M Phase","Mitotic G1 phase and G1/S transition","Cytochrome P450 - arranged by substrate type","Leishm
ania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Transcriptional Regulation by MECP2","Ethanol oxidation","SUMO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaph
ase","G0 and Early G1","Fatty acids","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of D-series resolvins","Regulation of MECP2 expression and activity","SUMOylatio
n of DNA replication proteins","Mitotic Anaphase","Transcription of E2F targets under negative control by DREAM complex","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE
) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{RESTW22,norfloxacin,70458-96-7,70458967,Norfloxacine,Noroxin,Chibroxin,Baccidal,Sebercim,MK-366,MK366,Norfloxacinum,Norfloxacino,Barazan,Fulgram,NFLX,AM-715,AM715,Lexinor,Zoroxin,UNII-N0F8P22L1P,UNII
N0F8P22L1P,MFCD00079532,"1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic ac","1ethyl6fluoro4oxo7piperazin1ylquinoline3carboxylic ac",T1306,1500440,Prestw-221,Norfloxacin,NORFLOXACIN}

> <pdid>
PD001831

> <targets>
{Antibiotic,Bacterial,Endogenous Metabolite}

> <classes>
{antibacterial,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{6919051,4539}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
   11.6982   -0.7323    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 10  1  0
 17 18  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11563

> <plate>
PLATE 008

> <well>
F3

> <supplier_cmpd_name>
Carmofur

> <ctcr_id>
5295

> <supplier_cmpd_id>
T1307

> <smiles>
CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O

> <pd_targets>
{LMNA,CYP3A4,SQOR,REP,MAPK3,ASAH1,CYP2D6}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Cytochrome P450",Oxidoreductase,Transferase,Kinase,Hydrolase,"Cytochrome P450 family 3","Protein Kinase","Cytochrome P450 family 2","Cytochrome P450 family 3A","CMGC p
rotein kinase group","Cytochrome P450 family 2D","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Cytochrome P450 2D6","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Cytochrome P450","Anti-infective targets","Kinases (EC 2.7.x.x)","Ceramide turnover","CYP3 family","Viral protein targets","CMGC: Containing CDK",MAPK,GSK3,"CLK famil
ies","Acid ceramidase","CYP2 family: drug metabolising subset","Coronavirus (CoV) proteins","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,"Immune System",Mitotic,"Metabolism of lipids","Metabolism of amino acids and derivatives","Infectious disease","Innate Immune System","Biological oxidations","M Phase
","Biosynthesis of specialized proresolving mediators (SPMs)","Sulfur amino acid metabolism","SARS-CoV Infections","Toll-like Receptor Cascades","Sphingolipid metabolism","Phase I - Functionalization 
of compounds","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Degradation of cysteine and homocysteine","SARS-CoV-2 Infection","Toll Like Receptor 5 (TLR5) Cascade","Glycosphingol
ipid metabolism","Cytochrome P450 - arranged by substrate type","Mitotic Anaphase","Biosynthesis of maresins","Sulfide oxidation to sulfate","SARS-CoV-2 Genome Replication and Transcription","MyD88 ca
scade initiated on plasma membrane",Xenobiotics,"Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Replication of the SARS-CoV-2 genome","MAP kinase activation","CYP2E1 reactions"
,"Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{TYMS}

> <broad_moa>
{"thymidylate synthase inhibitor"}

> <synonyms>
{carmofur,61422-45-5,61422455,Mifurol,1-Hexylcarbamoyl-5-fluorouracil,1Hexylcarbamoyl5fluorouracil,Yamafur,UNII-HA82M3RAB2,UNIIHA82M3RAB2,"1(2H)-Pyrimidinecarboxamide, 5-fluoro-N-hexyl-3,4-dihydro-2,4
-dioxo-","1(2H)Pyrimidinecarboxamide, 5fluoroNhexyl3,4dihydro2,4dioxo","5-fluoro-N-hexyl-2,4-dioxo-3,4-dihydropyrimidine-1(2H)-carboxamide","5fluoroNhexyl2,4dioxo3,4dihydropyrimidine1(2H)carboxamide",
HA82M3RAB2,5-fluo,5fluo,T1307,SAM001246692,1505317,Carmofur,CPD000466363,CARMOFUR}

> <pdid>
PD000944

> <targets>
{Nucleoside Antimetabolite/Analog,SARS-CoV,Virus Protease}

> <classes>
{antineoplastic,Anti-infection,Cell Cycle/DNA Damage}

> <pubchem_cids>
{2577}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 21  0  0  0  0            999 V2000
   11.5023   -3.0060    0.0000 H   0  3
    9.0023   -3.0060    0.0000 Cl  0  5
    5.1884   -7.5113    0.0000 C   0  0
    5.1901   -6.0113    0.0000 N   0  0
    6.4902   -5.2631    0.0000 C   0  0
    3.8917   -5.2586    0.0000 C   0  0
    3.8934   -3.7577    0.0000 C   0  0
    2.5949   -3.0050    0.0000 O   0  0
    2.5966   -1.5042    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    5.1956   -1.5125    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    2.6078    1.4964    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  9 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11564

> <plate>
PLATE 008

> <well>
F4

> <supplier_cmpd_name>
Orphenadrine hydrochloride

> <ctcr_id>
28

> <supplier_cmpd_id>
T1308

> <smiles>
[H+].[Cl-].CN(C)CCOC(c1ccccc1)c2ccccc2C

> <pd_targets>
{KCNH2,NPSR1,LMNA,PMP22,KDM4E,AMPC,HRH1,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,CYP2C19,CYP2D6,HRH2,CHRM1,CHRM3,HTR2A,HTR2B,HTR2C,SLC6A4,SLC22A2,SLC47A1,CHRM4,CHRM5,ADRA2A,SLC22A1,CHRM2,ADRA2B
,SLC6A2,HTR6,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,CYP3A4}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor","Other nuclear protein","Unclassified protein","Epigenetic regulator",Enzyme,Transporter,"Voltage-gated ion channel","Family A G protein-coupled receptor",Eraser,Hyd
rolase,"Ligand-gated ion channel","Cytochrome P450","Electrochemical transporter","Potassium channels","Peptide receptor (family A GPCR)","Lysine demethylase","Small molecule receptor (family A GPCR)"
,"Ionotropic glutamate receptor","Cytochrome P450 family 2","SLC superfamily of solute carriers","Voltage-gated sodium channel","Cytochrome P450 family 3","Voltage-gated potassium channel","Short pept
ide receptor (family A GPCR)","Jumonji domain-containing","Monoamine receptor","NMDA receptor","Cytochrome P450 family 2C","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","SLC2
2 family of organic cation and anion transporters","SLC47 family of multidrug and toxin extrusion transporters","Cytochrome P450 family 3A","Neuropeptide receptor","Histamine receptor","Cytochrome P45
0 2C19","Cytochrome P450 2D6","Acetylcholine receptor","Serotonin receptor","Adrenergic receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{"Ion channels",Receptors,Enzymes,Transporters,"Voltage-gated ion channels","G protein-coupled receptors","Chromatin modifying enzymes","Cytochrome P450","SLC superfamily of solute carriers","Ligand-g
ated ion channels","Potassium channels","Neuropeptide S receptor","1.14.11.- Histone demethylases","Histamine receptors","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)",
"5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and toxin extrusion transporters",Adrenoce
ptors,"Ionotropic glutamate receptors","Voltage-gated sodium channels","CYP3 family","Voltage-gated potassium channels","Monoamine transporter subfamily","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Muscle contraction",Disease,"Cell Cycle","Developmental Biology","Signal Transduction",Metabolism,"Neuronal System","Transport of small molecules","Cardiac conduction","Infectious disease",Mitotic,"
Nervous system development","Signaling by GPCR","Biological oxidations","Transmission across Chemical Synapses","SLC-mediated transmembrane transport","Disorders of transmembrane transporters","Metabo
lism of lipids","Phase 3 - rapid repolarisation","Leishmania infection","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","Phase I - Functionalization of
 compounds","Neurotransmitter clearance","Transport of bile salts and organic acids","metal ions and amine compounds","SLC transporter disorders","Neurotransmitter receptors and postsynaptic signal tr
ansmission","Axon guidance","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)
","Cytochrome P450 - arranged by substrate type","Serotonin clearance from the synaptic cleft","Organic cation/anion/zwitterion transport","Defective SLC6A2 causes orthostatic intolerance (OI)","Activ
ation of NMDA receptors and postsynaptic events","L1CAM interactions","Biosynthesis of DHA-derived SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Amine 
ligand-binding receptors",Xenobiotics,"Organic cation transport","Post NMDA receptor activation events","Assembly and cell surface presentation of NMDA receptors","Interaction between L1 and Ankyrins"
,"Biosynthesis of maresins","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Histamine receptors","CYP2E1 reactions","Muscarinic acetylcholine receptors","
Serotonin receptors",Adrenoceptors,"CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformati
on","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{AKOS015909563,"Orphenadrine hydrochloride",341-69-5,341695,"Orphenadrine HCl",Disipal,Mephenamin,Mebedrol,Mephenamine,"Orphenadrine (hydrochloride)",Brocadisipal,"Mephenamin hydrochloride","Orfenadri
n hydrochloride","Mephenamine hydrochloride",Mefe,SAM002264628,Prestw-239,CPD000058999}

> <pdid>
PD009762

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{657244,9568,49852363}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 S   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11565

> <plate>
PLATE 008

> <well>
F5

> <supplier_cmpd_name>
Propylthiouracil

> <ctcr_id>
2404

> <supplier_cmpd_id>
T1309

> <smiles>
CCCC1=CC(=O)NC(=S)N1

> <pd_targets>
{TSHR,FFP,TPO,MPO,ALD,TAS2R38,DIO1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Unclassified protein","Family A G protein-coupled receptor",Transferase,Oxidoreductase,"Peptide receptor (family A GPCR)","Glycohormone receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Thyroid hormone turnover","1.-.-.- Oxidoreductases","Glycoprotein hormone receptors","Orphan and other 7TM receptors","Taste 2 receptors"}

> <pathway_reactome>
{Disease,Metabolism,"Immune System","Signal Transduction","Infectious disease","Metabolism of amino acids and derivatives","Innate Immune System","Signaling by GPCR","Leishmania infection","Metabolism
 of amine-derived hormones","ROS and RNS production in phagocytes","GPCR downstream signalling","Leishmania parasite growth and survival","Thyroxine biosynthesis","Events associated with phagocytolyti
c activity of PMN cells","G alpha (i) signalling events","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of thyroid hormone activity","ADORA2B mediated anti-inflammato
ry cytokines production"}

> <broad_targets>
{DIO1,TPO}

> <broad_moa>
{"thyroid peroxidase inhibitor"}

> <synonyms>
{RESTW49,"CCRIS 544","HSDB 3390","Propylthiouracil (TN)",SR-05000001706,SR05000001706,propylthiouracil,51-52-5,51525,6-Propyl-2-thiouracil,6Propyl2thiouracil,Propacil,Procasil,Prothiurone,Prothyran,2-
Mercapto-6-propylpyrimidin-4-ol,2Mercapto6propylpyrimidin4ol,Propycil,Prothiucil,Protiural,Thiuragyl,Prothycil,Propyl-Thi,PropylThi,T1309,SAM002554926,1500515,Prestw-494,Propylthiouracil,CPD000058275,
PROPYLTHIOURACIL}

> <pdid>
PD001776

> <targets>
{}

> <classes>
{antihyperthyroid}

> <pubchem_cids>
{657298}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  1  0            999 V2000
    7.7003   -4.8738    0.0000 Na  0  3
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    2.6016   -2.9971    0.0000 O   0  0
    1.3070   -5.2502    0.0000 C   0  0  1  0  0  0
    2.3654   -6.2567    0.0000 C   0  0  1  0  0  0
    3.7020   -6.9376    0.0000 S   0  0
    3.4674   -8.4192    0.0000 C   0  0
    3.0577   -9.8621    0.0000 C   0  0
    4.9104   -8.0093    0.0000 C   0  0
    1.9859   -8.6539    0.0000 C   0  0
    1.3048   -7.3175    0.0000 N   0  0
    0.2466   -6.2595    0.0000 C   0  0
   -1.2533   -6.2411    0.0000 O   0  0
    1.3031   -9.9875    0.0000 C   0  0
    2.1179  -11.2469    0.0000 O   0  5
   -0.1950  -10.0640    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  8  1  0
 13 14  2  0
 14  5  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 18 16  1  1
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  1  0
 25 19  1  0
 25 26  1  0
 26 18  1  0
 26 27  2  0
 24 28  1  0
 28 29  1  0
 28 30  2  0
M  CHG  2   1   1  29  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11566

> <plate>
PLATE 008

> <well>
F6

> <supplier_cmpd_name>
nafcillin sodium

> <ctcr_id>
1607

> <supplier_cmpd_id>
T1312

> <smiles>
[Na+].CCOc1ccc2ccccc2c1NC(=O)[C@H]3[C@H]4SC(C)(C)C(N4C3=O)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SPECTRUM1500420,HMS500J08,HMS1920P07,HMS2091H08,CCG-39954,CCG39954,"CCG 39954",1500420,"NAFCILLIN SODIUM"}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{23682218}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    3.1202   -2.0921    0.0000 O   0  5
    1.6281   -2.2462    0.0000 N   0  3
    1.0161   -3.6157    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -0.0031    2.7742    0.0000 C   0  0
   -1.3040    3.5228    0.0000 N   0  0
   -1.3071    5.0236    0.0000 N   0  0
   -0.0936    5.8834    0.0000 C   0  0
   -0.5571    7.3100    0.0000 C   0  0
    0.3245    8.5236    0.0000 O   0  0
   -2.0571    7.3100    0.0000 N   0  0
   -2.5206    5.8834    0.0000 C   0  0
   -3.9444    5.4113    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  4  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11567

> <plate>
PLATE 008

> <well>
F7

> <supplier_cmpd_name>
Nitrofurantoin

> <ctcr_id>
1007

> <supplier_cmpd_id>
T1313

> <smiles>
[O-][N+](=O)c1oc(cc1)/C=N/N2CC(=O)NC2=O

> <pd_targets>
{KDM4E,TSHR,MAPT,CISD1,CASP7,TDP1,FFP,ALD,LEF,SKA,LMNA,CYP3A4,TGR,ABCC4,YDBK,NFSA,RPSJ}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor","Other cytosolic protein","Unclassified protein",Enzyme,"Other nuclear protein",Transporter,Eraser,"Family A G protein-coupled receptor",Protease,Hydrolase,
Transferase,Kinase,"Cytochrome P450","Primary active transporter","Lysine demethylase","Peptide receptor (family A GPCR)","Cysteine protease","Metallo protease","Cytochrome P450 family 3","ATP-binding
 cassette","Jumonji domain-containing","Glycohormone receptor","Cysteine protease CD clan","Metallo protease MAE clan","Cytochrome P450 family 3A","ABCC subfamily","Cysteine protease C14 family","Meta
llo protease M34 family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","G protein-coupled receptors","Peptidases and proteinases","Cytochrome P450","ATP-binding cassette transporter family","1.14.11.- Histone 
demethylases","Glycoprotein hormone receptors","CD: Cysteine (C) Peptidases","CYP3 family","ABCC subfamily","C14: Caspase"}

> <pathway_reactome>
{Disease,"Neuronal System","Programmed Cell Death","DNA Repair","Cell Cycle",Metabolism,Hemostasis,"Infectious disease","Transmission across Chemical Synapses",Apoptosis,"DNA Double-Strand Break Repai
r",Mitotic,"Metabolism of lipids","Platelet activation","signaling and aggregation","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Intrinsic Pathway for Apop
tosis","Nonhomologous End-Joining (NHEJ)","Uptake and actions of bacterial toxins","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Response to elevated platelet cytosolic Ca2+",
"Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Apoptotic factor-mediated response","Uptake and function of anthrax toxins","Mitotic Metaphase and Ana
phase","Biosynthesis of DHA-derived SPMs","Platelet degranulation","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Cytochrome c-mediated ap
optotic response","Mitotic Anaphase","Biosynthesis of maresins","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Activation of caspases through apop
tosome-mediated cleavage","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA inhibitor"}

> <synonyms>
{nitrofurantoin,67-20-9,67209,Furadantin,Macrodantin,5-Nitrofurantoin,5Nitrofurantoin,Furadonine,Furadantine,Furadantoin,Furadoine,Furadontin,Furantoin,Nifurantin,Nitrofuradantin,Nitrofurantoine,Berkf
urin,Chemiofuran,Furachel,Furadonin,Furatoin,Furobactina,Macrob,T1313,1500433,Prestw-168,Nitrofurantoin,NITROFURANTOIN}

> <pdid>
PD001838

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{6604200}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -5.2088   -5.9860    0.0000 Cl  0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0127   -6.0039    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11568

> <plate>
PLATE 008

> <well>
F8

> <supplier_cmpd_name>
Triclosan

> <ctcr_id>
2380

> <supplier_cmpd_id>
T1314

> <smiles>
Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl

> <pd_targets>
{ENR,HPGD,FABI,TTR,INHA,LMNA,MAPT,HSP90AA1,CBR1,FTL,HSPA5,NR1I3}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Other nuclear protein","Other cytosolic protein","Unclassified protein","Transcription factor",Oxidoreductase,"Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuc
lear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group I member 3"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,"Eicosanoid turnover",Transthyretin,"Heat shock proteins","Nuclear hormone receptors","Prostaglandin synthases","1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Cell Cycle","Neuronal System","Vesicle-mediated transport","Cellular responses to external stimuli","Gene expression (Transcription)","Metabolism of lipids","Signali
ng by GPCR",Mitotic,"Transmission across Chemical Synapses","Membrane Trafficking","Cellular responses to stress","RNA Polymerase II Transcription","Biosynthesis of specialized proresolving mediators 
(SPMs)","GPCR downstream signalling","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G2-G2/M phases","Fatty acid metabolism","trans-Golgi Network Vesicle Budding",
"Cellular response to heat stress","Generic Transcription Pathway","Biosynthesis of DHA-derived SPMs","G alpha (i) signalling events","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and
 postsynaptic events","G2/M Transition","Arachidonic acid metabolism","Golgi Associated Vesicle Biogenesis","Regulation of HSF1-mediated heat shock response","Nuclear Receptor transcription pathway","
Biosynthesis of D-series resolvins","Visual phototransduction","Mitotic Anaphase","Post NMDA receptor activation events","Centrosome maturation","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)
","The canonical retinoid cycle in rods (twilight vision)","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Loss of proteins required for interphase microtubule organizati
on from the centrosome","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{DNMT1}

> <broad_moa>
{"antibacterial agent"}

> <synonyms>
{triclosan,3380-34-5,3380345,"5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL","5CHLORO2(2,4DICHLOROPHENOXY)PHENOL","2,4,4'-Trichloro-2'-hydroxydiphenyl ether","2,4,4'Trichloro2'hydroxydiphenyl ether",Irgasan,
Cloxifenolum,Triclosanum,"Irgasan DP300","Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-","Phenol, 5chloro2(2,4dichlorophenoxy)","CH 3565",5-Chloro-2-(2,5Chloro2(2,4-dichloro-phenoxy),4dichlorophenoxy),T13
14,SAM002554907,1505465,Prestw-1479,Triclosan,CPD000471847,TRICLOSAN}

> <pdid>
PD000390

> <targets>
{Antibiotic,Autophagy,Bacterial,Fungal}

> <classes>
{antiinfective,Anti-infection,Autophagy}

> <pubchem_cids>
{5564}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    4.5914    0.4163    0.0000 C   0  0
    5.8987    0.4725    0.0000 C   0  0
    7.1279   -0.6247    0.0000 C   0  0
    6.4175   -1.8742    0.0000 C   0  0
    5.2907   -0.7203    0.0000 N   0  0
    5.7410    1.0509    0.0000 C   0  0
    6.5025    1.9437    0.0000 C   0  0
    7.3530    3.1657    0.0000 C   0  0
    6.7141    4.5228    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
  2 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 13  1  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11569

> <plate>
PLATE 008

> <well>
F9

> <supplier_cmpd_name>
Cinchonidine

> <ctcr_id>
2965

> <supplier_cmpd_id>
T1317

> <smiles>
OC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34

> <pd_targets>
{AMPC,MAPT,CYP3A4,CYP2D6}

> <pathway_gtopdb>
{Enzyme,Hydrolase,"Other cytosolic protein","Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 3A4","Cytoc
hrome P450 2D6"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Transmission across Chemical Synapses","Metabolism of lipids","Biological oxidations","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of 
specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arran
ged by substrate type","Post NMDA receptor activation events","Biosynthesis of maresins",Xenobiotics,"Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","CYP2E1 reactions"}

> <broad_targets>
{CYP2D6}

> <broad_moa>
{"P glycoprotein inhibitor"}

> <synonyms>
{CINCHONIDINE,cinchonine,Cinchovatine,485-71-2,485712,alpha-Quinidine,alphaQuinidine,118-10-5,118105,Cinchonan-9-ol,Cinchonan9ol,GNF-PF-5411,GNFPF5411,MLS002637808,NSC5364,.alpha.-Quinidine,.alpha.Qui
nidine,alpha-(5-Vinyl-2-quinuclidinyl)-4-quinolinemethanol,alpha(5Vinyl2quinuclidinyl)4quinolinemethanol,(5-ethenyl-1-azabicyclo(2.2.2)octan-2-yl)-quinolin-4-ylmetha,(5ethenyl1azabicyclo(2.2.2)octan2y
l)quinolin4ylmetha,S2282,Cinchonidine}

> <pdid>
PD001557

> <targets>
{Others,Parasite,Serotonin Transporter}

> <classes>
{Others,Anti-infection,Neuronal Signaling}

> <pubchem_cids>
{2757}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 18  0  0  0  0            999 V2000
    2.5497   -4.4224    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5428   -7.0227    0.0000 C   0  0
    1.7883   -8.3192    0.0000 C   0  0
    0.2883   -8.3139    0.0000 C   0  0
   -0.4572   -7.0123    0.0000 C   0  0
    0.2973   -5.7159    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10  2  1  0
  1 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11570

> <plate>
PLATE 008

> <well>
F10

> <supplier_cmpd_name>
Bendazol

> <ctcr_id>
11013

> <supplier_cmpd_id>
T1322

> <smiles>
C(c1nc2ccccc2[nH]1)c1ccccc1

> <pd_targets>
{CYP2B1,AMPC,GAA}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450",Hydrolase,"Cytochrome P450 family 2","Cytochrome P450 family 2B","Cytochrome P450 2B1"}

> <pathway_chembl>
{Enzymes,"3.2.1.- Glycosidases"}

> <pathway_reactome>
{Disease,"Diseases of metabolism","Diseases of carbohydrate metabolism","Glycogen storage diseases","Glycogen storage disease type II (GAA)"}

> <broad_targets>
{}

> <broad_moa>
{"nitric oxide synthase stimulant"}

> <synonyms>
{Bendazol,621-72-7,621727,2-Benzylbenzimidazole,2Benzylbenzimidazole,2-Benzyl-1H-benzimidazole,2Benzyl1Hbenzimidazole,Dibazol,Dibazole,2-Benzyl-1H-benzo(d)imidazole,2Benzyl1Hbenzo(d)imidazole,2-Benzyl
-1H-benzoimidazole,2Benzyl1Hbenzoimidazole,Bendazole,Tromasedan,Dibasol,2-Benzylbenziminazole,2Benzylbenziminazole,"Bendazol (INN:DCF)","2-Benzyl-1H-1,3-Benzodiazole","2Benzyl1H1,3Benzodiazole",BE,T13
22}

> <pdid>
PD013875

> <targets>
{Dopamine,NO Synthase}

> <classes>
{GPCR/G Protein,Neuroscience,Immunology/Inflammation}

> <pubchem_cids>
{12132}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 24  0  0  1  0            999 V2000
    1.8305   -5.4177    0.0000 C   0  0
    2.5846   -4.1210    0.0000 O   0  0
    1.8400   -2.8200    0.0000 C   0  0  1  0  0  0
    0.1500   -2.8200    0.0000 O   0  0
   -0.6900   -1.3600    0.0000 C   0  0  2  0  0  0
   -1.9100   -1.3600    0.0000 O   0  0
   -2.7600   -0.5000    0.0000 C   0  0  1  0  0  0
   -1.3725    0.0700    0.0000 C   0  0
   -2.7600    0.7100    0.0000 C   0  0
   -1.9100    1.5700    0.0000 C   0  0
   -0.6900    1.5700    0.0000 C   0  0  1  0  0  0
    0.1500    3.0300    0.0000 C   0  0  2  0  0  0
   -0.6010    4.3285    0.0000 C   0  0
    1.8400    3.0300    0.0000 C   0  0
    2.6900    1.5700    0.0000 C   0  0
    1.8400    0.1000    0.0000 C   0  0  1  0  0  0
    2.6900   -1.3600    0.0000 C   0  0  1  0  0  0
    4.1900   -1.3600    0.0000 C   0  0
    0.1500    0.1000    0.0000 C   0  0  1  0  0  0
   -1.1700    0.6900    0.0000 O   0  0
   -2.1000    0.1500    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 11 10  1  1
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  0
 16 15  1  1
 16 17  1  0
 17  3  1  0
 17 18  1  1
 16 19  1  0
 19  5  1  0
 19 11  1  0
 19 20  1  6
 20 21  1  0
 21  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11571

> <plate>
PLATE 008

> <well>
F11

> <supplier_cmpd_name>
Artemether

> <ctcr_id>
6678

> <supplier_cmpd_id>
T1323

> <smiles>
CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3

> <pd_targets>
{LMNA}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ATP1A1}

> <broad_moa>
{"antimalarial agent"}

> <synonyms>
{Artemether,beta-Artemether,betaArtemether,71963-77-4,71963774,"Dihydroartemisinin methyl ether","Artemisininelactol methyl ether",Methyl-dihydroartemisinine,Methyldihydroartemisinine,Artemetherum,Art
emetero,"beta-Dihydroartemisinin methyl ether","betaDihydroartemisinin methyl ether","SM 224",Artemetheri,CHEBI:195280,Artenam,Arte,T1323,SAM001246799,CPD000469218}

> <pdid>
PD000643

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{68911}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    3.8926   -3.7566    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.0972    0.1560    0.0000 C   0  0
   -5.7073    1.5264    0.0000 C   0  0
   -4.8257    2.7399    0.0000 C   0  0
   -5.4358    4.1102    0.0000 Cl  0  0
   -3.3339    2.5831    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18  9  1  0
 18 12  1  0
 10 19  2  0
 19  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11572

> <plate>
PLATE 008

> <well>
G2

> <supplier_cmpd_name>
Carprofen

> <ctcr_id>
4833

> <supplier_cmpd_id>
T1325

> <smiles>
CC(C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1

> <pd_targets>
{PTGS2,PTGS1,MAPT,FAAH,C5,KMT2A,MEN1,AMPC,ABCC4}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Secreted protein","Epigenetic regulator",Transporter,Oxidoreductase,Hydrolase,Reader,"Primary active transporter",Bromodomain,"ATP-binding cassette","ABCC subfamily"
}

> <pathway_chembl>
{Enzymes,Transporters,"Eicosanoid turnover","Endocannabinoid turnover","ATP-binding cassette transporter family",Cyclooxygenase,"<i>N</i>-Acylethanolamine turnover","ABCC subfamily"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Signal Transduction",Hemostasis,"Metabolism of lipids","Transmission across Chemical Synapses","Signaling by GPCR","Platelet activation","signaling and aggregation","Bio
synthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","Response to elevated platelet c
ytosolic Ca2+","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Activation of NMDA receptors and postsynaptic events","Class A/1 (Rhodopsin-like receptors)","Platelet degranulation","
Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Post NMDA receptor activation events","Peptide ligand-binding receptors","Activation of AMPK downstream of NMDARs
"}

> <broad_targets>
{PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{53716-49-7,53716497,"2-(6-Chloro-9H-carbazol-2-yl)propanoic acid","2(6Chloro9Hcarbazol2yl)propanoic acid",Rimadyl,Imadyl,Ridamyl,Carprofene,Carprofeno,Carprofenum,"Carprofene (INN-French)","Carprofen
e (INNFrench)","Carprofenum (INN-Latin)","Carprofenum (INNLatin)","6-Chloro-alpha-methyl-9H-carbazole-2-acetic acid","6Chloroalphamethyl9Hcarbazole2acetic acid","Carprofeno (INN-S","Carprofeno (INNS",
T1325,1502006,Prestw-1261,Carprofen,CARPROFEN}

> <pdid>
PD001437

> <targets>
{Autophagy,COX,FAAH}

> <classes>
{analgesic,antiinflammatory,Autophagy,Immunology/Inflammation,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{2581}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    5.1966    1.5103    0.0000 C   0  0
    5.1945    3.0103    0.0000 N   0  0
    3.8941    3.7597    0.0000 C   0  0
    2.5972    3.0060    0.0000 C   0  0
    2.6015    1.5060    0.0000 O   0  0
    1.2961    3.7523    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -0.0128    6.0039    0.0000 N   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2089    5.9859    0.0000 N   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.1977    2.9828    0.0000 O   0  0
   -5.1903    1.4820    0.0000 C   0  0
   -3.8861    0.7409    0.0000 O   0  0
   -3.8757   -0.7590    0.0000 C   0  0
   -5.1696   -1.5180    0.0000 C   0  0
   -6.4738   -0.7770    0.0000 C   0  0
   -6.4841    0.7230    0.0000 C   0  0
   -7.7884    1.4639    0.0000 N   0  0
   -2.5724   -1.5031    0.0000 C   0  0
   -1.2772   -0.7464    0.0000 C   0  0
   -2.5641   -3.0031    0.0000 N   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -2.5953    1.4949    0.0000 O   0  0
    1.2918    5.2523    0.0000 O   0  0
    2.5887    6.0060    0.0000 C   0  0
    3.8898    5.2597    0.0000 C   0  0
    5.1730    4.4829    0.0000 C   0  0
    3.8503    6.7592    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  1  0
 18 23  1  0
 23 24  1  0
 23 25  1  0
 14 26  1  0
 26  8  1  0
 26 27  1  0
  6 28  1  0
 28 29  1  0
 29 30  1  0
 30  3  1  0
 30 31  1  0
 30 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11573

> <plate>
PLATE 008

> <well>
G3

> <supplier_cmpd_name>
Gentamycin sulfate

> <ctcr_id>
11014

> <supplier_cmpd_id>
T1326

> <smiles>
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CCC3N)C(C)N)C2O)OCC1(C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{25876-11-3,25876113,CHEMBL117044,STL483172,FT-0668967,FT0668967,T1326,"Gentamycin sulfate"}

> <pdid>
PD013973

> <targets>
{"DNase I",DHFR,"16S ribosome","30S ribosome"}

> <classes>
{Metabolism,Microbiology&Virology}

> <pubchem_cids>
{588785}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
   11.9554   -0.0975    0.0000 H   0  3
    9.4554   -0.0975    0.0000 Cl  0  5
    6.9546   -4.2653    0.0000 C   0  0
    5.4929   -3.9285    0.0000 N   0  0
    5.0525   -2.4938    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  8  1  0
 22 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11574

> <plate>
PLATE 008

> <well>
G4

> <supplier_cmpd_name>
Nortriptyline hydrochloride

> <ctcr_id>
5327

> <supplier_cmpd_id>
T1327

> <smiles>
[H+].[Cl-].CNCCC=C1c2ccccc2CCc3ccccc13

> <pd_targets>
{CYP3A4,ADRA2A,CHRM2,DRD2,SLC6A4,KCNJ10,CYP2D4,CYP2D6,HRH2,CYP2D3,ADRA1A,CYP1A2,HTR6,TSHR,CYP2C19,THPO,HTR1A,HTR2C,SLC6A2,SLC6A3,RET,CHRM5,HRH1,HTR1B,HTR1D,HTR1F,HTR2A,HTR2B,HTR3A,HTR3B,HTR4,HTR5A,HTR
5B,HTR7,LMNA,HTT,CHRM1,CYP2D26,CYP2C8,ADRA1B,SIGMAR1,CHRM3,TP53,CHRM4,AMPC,PMP22,MAPT,FTL,KMT2A,MEN1,NPSR1,MTOR,DRD3,ADRA2B,ADRA1D,ADRA2C,KCNJ5,KCNJ6,ADRB1,ADRB2,ADRB3,PGRMC1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Transporter,"Ion channel","Unclassified protein","Other nuclear protein","Transcription factor","Other cytosolic protein","Epigenetic regulator","Cytochrome P450","Family A
 G protein-coupled receptor","Electrochemical transporter","Voltage-gated ion channel",Kinase,Hydrolase,Reader,"Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","SLC superfamily of 
solute carriers","Potassium channels","Cytochrome P450 family 2","Cytochrome P450 family 1","Peptide receptor (family A GPCR)","Protein Kinase",Bromodomain,"Cytochrome P450 family 3A","Monoamine recep
tor","SLC06 neurotransmitter transporter family","Inwardly rectifying potassium channel","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Glycohormone receptor","Cytochrome P450 family 2C","TK
 protein kinase group","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Cytochrome P450 3A4","Adrenergic receptor","Acetylcholine receptor","Dopamine receptor","Cytochrome P45
0 2D18","Cytochrome P450 2D6","Histamine receptor","Cytochrome P450 2D3","Cytochrome P450 1A1","Serotonin receptor","Cytochrome P450 2C19","Tyrosine protein kinase Ret family","Cytochrome P450 2D2","C
ytochrome P450 2C8","Neuropeptide receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Other protein targets","Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Voltage-gated ion channels","Catalytic rece
ptors","Sigma receptors","Kinases (EC 2.7.x.x)","CYP3 family",Adrenoceptors,"Acetylcholine receptors (muscarinic)","Dopamine receptors","SLC6 neurotransmitter transporter family","Potassium channels",
"CYP2 family: drug metabolising subset","Histamine receptors","CYP1 family","5-Hydroxytryptamine receptors","Glycoprotein hormone receptors","Receptor kinases","Neuropeptide S receptor",Atypical,"Mono
amine transporter subfamily","Inwardly rectifying potassium channels","TK: Tyrosine kinase","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Receptor tyrosine kinases (RTKs)","FRAP sub
family","Type XIV RTKs: RET"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Neuronal System",Disease,Hemostasis,"Developmental Biology","Cell Cycle","Gene expression (Transcription)","Vesicle-mediated transport","Metabolism of lipids","Signa
ling by GPCR","Transmission across Chemical Synapses","Biological oxidations","Infectious disease","Platelet activation","signaling and aggregation","Disorders of transmembrane transporters","Nervous 
system development",Mitotic,"RNA Polymerase II Transcription","Cell Cycle Checkpoints","Membrane Trafficking","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","Neurotr
ansmitter clearance","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Leishmania infection","Platelet Aggregation (Plug Formation)","SLC tr
ansporter disorders","Axon guidance","M Phase","Generic Transcription Pathway","SARS-CoV Infections","G1/S DNA Damage Checkpoints","EGR2 and SOX10-mediated initiation of Schwann cell myelination","tra
ns-Golgi Network Vesicle Budding","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Serotonin clearance from the synaptic cleft","GABA receptor activation","Cytochrome P450 - 
arranged by substrate type","Leishmania parasite growth and survival","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","RET sign
aling","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Potential therapeutics for SARS","p53-Dependent G1/S DNA damage checkpoint","Activation of NMDA receptors and postsynapti
c events","Golgi Associated Vesicle Biogenesis","Transcriptional Regulation by TP53","Biosynthesis of maresins","Amine ligand-binding receptors","GABA B receptor activation",Xenobiotics,"Anti-inflamma
tory response favouring Leishmania parasite infection","Mitotic Anaphase","Regulation of MECP2 expression and activity","p53-Dependent G1 DNA Damage Response","Post NMDA receptor activation events","R
egulation of TP53 Activity","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Muscarinic acetylcholine receptors","Dopamine receptors","Activation of GABAB receptors","CYP2E1 reactions","ADORA2B medi
ated anti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Serotonin receptors","Histamine receptors","Nuclear Envelope (NE) Reassembly","Stabiliz
ation of p53","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Initiation of Nuclear Env
elope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,ADRB2,ADRB3,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD2,HRH1,HTR1A,HTR2A,HTR2C,HTR6,KCNJ10,PGRMC1,SIGMAR1,SLC6A2,SLC6A4}

> <broad_moa>
{"tricyclic antidepressant"}

> <synonyms>
{"Nortriptyline hydrochloride",894-71-3,894713,"894 71 3",Pamelor,"Desmethylamitriptyline hydrochloride",Allegron,Nortrilen,Altilev,"Nortriptyline Hcl","Nortriptyline (hydrochloride)",Acetexa,Sensival
,Vividyl,"Aventyl allegron","Ateben hydroch",SAM002554915,Prestw-254,CPD000058486}

> <pdid>
PD009970

> <targets>
{Apoptosis,Autophagy,Drug Metabolite}

> <classes>
{Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{441358,657214,13468}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  0  0            999 V2000
   10.1995   -3.3789    0.0000 H   0  3
    7.6995   -3.3789    0.0000 Cl  0  5
    5.1937   -3.0093    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2934   -3.7508    0.0000 C   0  0
   -0.0049   -2.9977    0.0000 N   0  0
   -1.3070   -3.7424    0.0000 C   0  0
   -2.6029   -2.9870    0.0000 C   0  0
   -2.5967   -1.4870    0.0000 C   0  0
   -1.2946   -0.7424    0.0000 C   0  0
    0.0013   -1.4977    0.0000 C   0  0
    3.8962   -2.2562    0.0000 C   0  0
    5.1966   -1.5087    0.0000 C   0  0
    5.1995   -0.0087    0.0000 C   0  0
    3.9019    0.7438    0.0000 C   0  0
    2.6014   -0.0038    0.0000 C   0  0
    2.5986   -1.5038    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1892   -6.0097    0.0000 C   0  0
    5.1870   -7.5097    0.0000 C   0  0
    3.8869   -8.2578    0.0000 C   0  0
    2.5890   -7.5060    0.0000 C   0  0
    2.5911   -6.0060    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
  4 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
  4 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11575

> <plate>
PLATE 008

> <well>
G5

> <supplier_cmpd_name>
DL-trihexyphenidyl hydrochloride

> <ctcr_id>
5266

> <supplier_cmpd_id>
T1328

> <smiles>
[H+].[Cl-].OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3

> <pd_targets>
{CHRM1,HRH1,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,CHRM2,CHRM4,CHRM3,PMP22,AMPC,BLM,MAPT,CHRM5,SIGMAR1,CYP2D6,TDP1,NFKB1,CYP3A4,TSHR}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor","Ion channel","Ligand-gated ion channel","Ionotropic 
glutamate receptor","NMDA receptor","Histamine receptor","Unclassified protein",Enzyme,"Other cytosolic protein",Hydrolase,"Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 2D","Cyt
ochrome P450 2D6","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Glycohormone receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)","Histamine receptors","Other protein targets",Enzymes,"Sigma receptors","Cytochrome P450","CYP2 family: drug metabolisin
g subset","CYP3 family","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine receptors","Histamine receptors","Dev
elopmental Biology","DNA Repair","Neuronal System",Disease,Metabolism,"Nervous system development","DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Infectious disease","Biolog
ical oxidations","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","SARS-CoV Infections","Ph
ase I - Functionalization of compounds","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Potential therapeutics for
 SARS","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events",Xenobiotics,"Homologous DNA Pairing and Strand Exchange","Acti
vation of AMPK downstream of NMDARs","CYP2E1 reactions","Presynaptic phase of homologous DNA pairing and strand exchange","Immune System","Cytokine Signaling in Immune system","Metabolism of lipids","
Nonhomologous End-Joining (NHEJ)","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Interleukin-1 family signaling","Biosynthesis of DHA-d
erived SPMs","Leishmania parasite growth and survival","Interleukin-1 signaling","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","MAP3K8 (TPL2)-dependen
t MAPK1/3 activation","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{CHRM1}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"Trihexyphenidyl hydrochloride","Benzhexol hydrochloride",52-49-3,52493,Artane,"Trihexyphenidyl HCl","Benzhexol HCL","Artane hydrochloride","Trihexyphenidyl (hydrochloride)",58947-95-8,58947958,"1-Cy
clohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochlor","1Cyclohexyl1phenyl3(piperidin1yl)propan1ol hydrochlor",T1328,SAM002264652,1500592,Prestw-701,"DL-trihexyphenidyl hydrochloride",CPD00005851
5,"TRIHEXYPHENIDYL HYDROCHLORIDE","Trihexyphenidyl-D,L Hydrochloride"}

> <pdid>
PD009627

> <targets>
{}

> <classes>
{anticholinergic,antiparkinsonian}

> <pubchem_cids>
{66007,517300,657317}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 20  0  0  0  0            999 V2000
    6.3933   -0.0018    0.0000 Na  0  3
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 I   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3032    3.7490    0.0000 O   0  0
    1.2946    3.7531    0.0000 O   0  5
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 I   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8926   -3.7566    0.0000 O   0  0
   -1.2948   -3.7517    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 I   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 15 20  2  0
 20  6  1  0
 20 21  1  0
M  CHG  2   1   1  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11576

> <plate>
PLATE 008

> <well>
G6

> <supplier_cmpd_name>
Diatrizoate sodium

> <ctcr_id>
11015

> <supplier_cmpd_id>
T1319

> <smiles>
[Na+].CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(NC(=O)C)c1I

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Amidotrizoate de sodium","Diatrizoate sodium","Sodium diatrizoate",737-31-5,737315,"Sodium amidotrizoate","Hypaque sodium","Sodium 3,5-diacetamido-2,4,6-triiodobenzoate","Sodium 3,5diacetamido2,4,6t
riiodobenzoate",Triombrine,Triombrin,"Diatrizoic acid sodium salt",Hypaque,Vascoray,C,T1319}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{23672589}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    8.6252   -3.4275    0.0000 C   0  0
    7.1475   -3.6853    0.0000 C   0  0
    6.6325   -5.0941    0.0000 C   0  0
    6.1841   -2.5345    0.0000 N   0  0
    4.7057   -2.7925    0.0000 C   0  0
    3.7423   -1.6417    0.0000 C   0  0
    2.2638   -1.8997    0.0000 C   0  0
    2.7882   -0.4624    0.0000 C   0  0
    1.8245    0.6871    0.0000 N   0  0
    4.2654   -0.2022    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.7512   -3.3104    0.0000 C   0  0
    0.2741   -3.5716    0.0000 C   0  0
   -0.2382   -4.9814    0.0000 C   0  0
    0.7266   -6.1300    0.0000 C   0  0
    2.2037   -5.8687    0.0000 C   0  0
    2.7160   -4.4589    0.0000 N   0  0
    6.6966   -1.1239    0.0000 C   0  0
    5.7325    0.0252    0.0000 C   0  0
    8.1737   -0.8630    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  7 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  7 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
  4 23  1  0
 23 24  1  0
 23 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11577

> <plate>
PLATE 008

> <well>
G7

> <supplier_cmpd_name>
Disopyramide

> <ctcr_id>
3230

> <supplier_cmpd_id>
T1320

> <smiles>
CC(C)N(CCC(C(N)=O)(c1ccccc1)c2ccccn2)C(C)C

> <pd_targets>
{BLM,KCNH2,THRB,PMP22,NS1,SLC22A1,SLC22A2,SLC47A1,SCN5A,CHRM1,CHRM2,CHRM3,KCND2,KCND3,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN7A,SCN8A,SCN9A}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Transcription factor","Unclassified protein",Transporter,"Membrane receptor","Voltage-gated ion channel","Nuclear receptor","Electrochemical transporter","Family A G protein-cou
pled receptor","Potassium channels","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","Voltage-gated sodium channel","Small molecule receptor (family A GPCR)","Voltage-gated 
potassium channel","Nuclear hormone receptor subfamily 1 group A","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and toxin extrusion transporters","Monoamine recept
or","Nuclear hormone receptor subfamily 1 group A member 2","Acetylcholine receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,Transporters,"Voltage-gated ion channels","Nuclear hormone receptors","SLC superfamily of solute carriers","G protein-coupled receptors","Potassium channels","1A. Thyroid hor
mone receptors","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and toxin extrusion transporters","Voltage-gated sodium channels","Acetylcholine receptors (muscarini
c)","Voltage-gated potassium channels","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"DNA Repair","Muscle contraction","Metabolism of proteins","Developmental Biology","Transport of small molecules","Signal Transduction","DNA Double-Strand Break Repair","Cardiac conduction","Post-tra
nslational protein modification","Nervous system development","SLC-mediated transmembrane transport","Signaling by GPCR","Homology Directed Repair","Phase 3 - rapid repolarisation",SUMOylation,"EGR2 a
nd SOX10-mediated initiation of Schwann cell myelination","Transport of bile salts and organic acids","metal ions and amine compounds","Axon guidance","GPCR ligand binding","Phase 1 - inactivation of 
fast Na+ channels","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","SUMO E3 ligases SUMOylate target proteins","Organic cation/anion/zwitterion transport","L1CAM interact
ions","Class A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR)","SUMOylation of intracellular receptors","Organic cation transport","Interaction between L1 and Ankyrins","Ami
ne ligand-binding receptors","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine receptors","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,KCND2,KCND3,KCNH2,SCN5A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{disopyramide,Prestwick_681,Prestwick681,Prestwick-681,"Prestwick 681","EINECS 223-110-2","EINECS 2231102",Lispine|||Ritmilen,"Norpace (Salt/Mix)",Spectrum_001008,Spectrum001008,Spectrum-001008,"Spect
rum 001008",Prestwick0_000266,Prestwick0000266,Prestwick0-000266,"Prestwick0 000266",Prestwick1_000266,Prestwick1000266,Prestwick1-000266,"Prestwick1 000266",Prestwick2_000266,Prestwick2000266,Prestwi
ck2-000266,"Prestwick2 000266",Prestwick3_000266,Prestwick3000266,Prestwick3-000266,"Prestwick3 000266",Spectrum2_001033,Spectrum2001033,Spectrum2-001033,"Spectrum2 001033",Spectrum3_000404,Spectrum30
00404,Spectrum3-000404,"Spectrum3 000404",Spectrum4_000524,Spectrum4000524,Spectrum4-000524,"Spectrum4 000524",Spectrum5_000943,Spectrum5000943,Spectrum5-000943,"Spectrum5 000943",T1320,Prestw-266,Dis
opyramide}

> <pdid>
PD002749

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3114}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    5.9359   -5.7181    0.0000 C   0  0
    4.6369   -6.4681    0.0000 C   0  0
    4.6749   -7.9676    0.0000 C   0  0
    3.1369   -6.4628    0.0000 C   0  0
    1.8310   -7.1813    0.0000 C   0  0
    0.5467   -6.4048    0.0000 C   0  0
   -0.7677   -7.1276    0.0000 Cl  0  0
    0.5774   -4.9051    0.0000 Cl  0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  4  9  1  0
  9  2  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 16 24  2  0
 24 25  1  0
 25 26  2  0
 26 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11578

> <plate>
PLATE 008

> <well>
G8

> <supplier_cmpd_name>
Permethrin

> <ctcr_id>
11016

> <supplier_cmpd_id>
T1332

> <smiles>
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cc(Oc2ccccc2)ccc1

> <pd_targets>
{ATM,LMNA,TDP1,VSSC,SCN1A}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Ion channel",Kinase,Hydrolase,"Voltage-gated ion channel","Protein Kinase","Voltage-gated sodium channel","Atypical protein kinase group","Atypical protein kinase PIKK
 family"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels",Atypical,"Voltage-gated sodium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family 
kinases"}

> <pathway_reactome>
{"Cell Cycle","DNA Repair","Developmental Biology","Cell Cycle Checkpoints",Mitotic,"DNA Double-Strand Break Repair","Nervous system development","G1/S DNA Damage Checkpoints","M Phase","Nonhomologous
 End-Joining (NHEJ)","Axon guidance","p53-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","L1CAM interactions","p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","Interac
tion between L1 and Ankyrins","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Permethrin,52645-53-1,52645531,Ambush,Transpermethrin,Pounce,Elimite,Imperator,UNII-509F88P9SZ,UNII509F88P9SZ,NRDC-143,NRDC143,(+)-trans-Permethrin,(+)transPermethrin,Permethrine,Permetrina,Acticin,A
mbushfog,Corsair,Dragnet,Ectiban,Kaleait,Kestrel,Outflank,Perigen,Permasect,Perthrine,Stomoxin,S,T1332}

> <pdid>
PD000663

> <targets>
{"Sodium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{40326}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
   11.3405   -5.2758    0.0000 C   0  0
    9.8788   -4.9390    0.0000 C   0  0
    8.8563   -6.0365    0.0000 C   0  0
    7.3946   -5.6997    0.0000 C   0  0
    6.9554   -4.2655    0.0000 C   0  0
    7.9779   -3.1680    0.0000 C   0  0
    9.4396   -3.5047    0.0000 C   0  0
    5.4929   -3.9285    0.0000 S   0  0
    4.4707   -5.0263    0.0000 O   0  0
    4.0310   -3.5924    0.0000 O   0  0
    5.0525   -2.4938    0.0000 N   0  0
    3.5900   -2.1568    0.0000 C   0  0
    2.5679   -3.2546    0.0000 O   0  0
    3.1497   -0.7220    0.0000 N   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11579

> <plate>
PLATE 008

> <well>
G9

> <supplier_cmpd_name>
Tolazamide

> <ctcr_id>
3027

> <supplier_cmpd_id>
T1333

> <smiles>
Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2CCCCCC2

> <pd_targets>
{CHRM1,GLA,KDM4E,GAA,ALOX15,ALD,CYP3A4,MAPT,ALOX12,NFO,NS1,NFKB1,FFP,ALDH1A1,ABCC8,KCNJ11}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Epigenetic regulator","Other cytosolic protein","Unclassified protein","Ion channel","Family A G protein-coupled receptor",Hydrolase,Eraser,Oxidoreductase,"Cytochrome P450
",Transferase,"Voltage-gated ion channel","Small molecule receptor (family A GPCR)","Lysine demethylase","Cytochrome P450 family 3","Potassium channels","Monoamine receptor","Jumonji domain-containing
","Cytochrome P450 family 3A","Inwardly rectifying potassium channel","Acetylcholine receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Chromatin modifying enzymes","3.2.1.- Glycosidases","Eicosanoid turnover","Cytochrome P450","Acetylcholine receptors (muscarinic)","1.14.11.- Histone 
demethylases",Lipoxygenases,"CYP3 family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Neuronal System","Immune System","Signaling by GPCR","Metabolism of lipids","Diseases of metabolism","Transmission across Chemical Synapses","Cytokine Signal
ing in Immune system","Biological oxidations","GPCR ligand binding","Sphingolipid metabolism","Diseases of carbohydrate metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotr
ansmitter receptors and postsynaptic signal transmission","Signaling by Interleukins","Phase I - Functionalization of compounds","Class A/1 (Rhodopsin-like receptors)","Glycosphingolipid metabolism","
Glycogen storage diseases","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Interleukin-1 family signaling","Ethanol oxidat
ion","Amine ligand-binding receptors","Glycogen storage disease type II (GAA)","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresins","Post NMDA receptor activation events","Interleukin-1 signaling"
,"Muscarinic acetylcholine receptors","Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-de
rived maresins","MAP3K8 (TPL2)-dependent MAPK1/3 activation"}

> <broad_targets>
{ABCC8,KCNJ1,KCNJ10,KCNJ11}

> <broad_moa>
{"ATP channel blocker"}

> <synonyms>
{15619,tolazamide,1156-19-0,1156190,Tolinase,Norglycin,Tolanase,Diabewas,Tolazolamide,Tolazamida,Tolazamidum,1-(Hexahydro-1-azepinyl)-3-p-tolylsulfonylurea,1(Hexahydro1azepinyl)3ptolylsulfonylurea,N-(
p-Toluenesulfonyl)-N'-hexamethyleniminourea,N(pToluenesulfonyl)N'hexamethyleniminourea,U-17835,U17835,4-(p-Tolylsulfonyl)-1,4(pTolylsulfonyl)1,1-hexamethylenesemicarbazi,1hexamethylenesemicarbazi,T133
3,SAM002564236,1501201,Prestw-554,Tolazamide,CPD000058290,TOLAZAMIDE}

> <pdid>
PD001453

> <targets>
{}

> <classes>
{antidiabetic}

> <pubchem_cids>
{5503}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
   -1.8778    2.7573    0.0000 C   0  0
   -1.0947    1.4779    0.0000 N   0  3
    0.0000    0.6568    0.0000 C   0  0  2  0  0  0
   -0.6568   -0.6386    0.0000 C   0  0
   -1.8063   -1.3319    0.0000 C   0  0
   -0.8393    0.0000    0.0000 C   0  0  1  0  0  0
    0.9488    0.0000    0.0000 C   0  0
    1.8975   -0.8028    0.0000 C   0  0  2  0  0  0
    1.6421    0.6933    0.0000 C   0  0
    2.6599   -2.0832    0.0000 O   0  0
    1.9266   -3.3927    0.0000 C   0  0
    2.6932   -4.6829    0.0000 C   0  0
    1.9623   -5.9928    0.0000 C   0  0
    2.7311   -7.2808    0.0000 C   0  0
    4.2309   -7.2590    0.0000 C   0  0
    4.9619   -5.9492    0.0000 C   0  0
    4.1931   -4.6612    0.0000 C   0  0
    0.4260   -3.4119    0.0000 C   0  0
   -0.3092   -4.7195    0.0000 C   0  0
   -1.8091   -4.7367    0.0000 C   0  0
   -2.5740   -3.4463    0.0000 C   0  0
   -1.8389   -2.1388    0.0000 C   0  0
   -0.3390   -2.1216    0.0000 C   0  0
    8.7619   -0.7614    0.0000 C   0  0
    8.7619   -2.2614    0.0000 S   0  0
    7.4627   -3.0110    0.0000 O   0  0
   10.0612   -3.0110    0.0000 O   0  0
    8.7619   -3.7614    0.0000 O   0  5
  1  2  1  0
  2  3  1  0
  3  4  1  1
  4  5  1  0
  6  5  1  6
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  8 10  1  6
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 11 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 24 25  1  0
 25 26  2  0
 25 27  2  0
 25 28  1  0
M  CHG  2   2   1  28  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11580

> <plate>
PLATE 008

> <well>
G10

> <supplier_cmpd_name>
Benztropine mesylate

> <ctcr_id>
4750

> <supplier_cmpd_id>
T1336

> <smiles>
C[NH+]1[C@@H]2CC[C@H]1C[C@H](C2)OC(c3ccccc3)c4ccccc4.CS(=O)(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW123,"RESTW 123","BENZTROPINE MESYLATE",Cogentin,132-17-2,132172,"132 17 2","Benztropine mesilate","Benztropine methanesulfonate","benzatropine mesylate","Benzatropine mesilate",UNII-WMJ8TL7510,U
NIIWMJ8TL7510,"UNII WMJ8TL7510",Benztropine,S3163,Prestw-1236,"Benztropine mesylate"}

> <pdid>

> <targets>
{"Histamine Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{3246155}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -3.9492    0.8772    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0  2  0  0  0
   -6.4441    1.8282    0.0000 C   0  0
   -7.0500    0.4561    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0  1  0  0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0  1  0  0  0
   -1.6199    3.9798    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 11 14  1  0
 14 15  1  1
 14 16  1  0
 16  9  1  0
 16 17  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11581

> <plate>
PLATE 008

> <well>
G11

> <supplier_cmpd_name>
Mylosar

> <ctcr_id>
2127

> <supplier_cmpd_id>
T1339

> <smiles>
NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O

> <pd_targets>
{LMNA,THPO,PMP22,BLM,ALDH1A1,NFKB1,AMPC,DNMT1,HBB,GMNN,CHRM1,TP53,HTT,MTOR,DNMT3A}

> <pathway_gtopdb>
{"Other nuclear protein","Unclassified protein",Enzyme,"Other cytosolic protein","Epigenetic regulator","Secreted protein","Membrane receptor","Transcription factor",Oxidoreductase,Hydrolase,Writer,"F
amily A G protein-coupled receptor",Kinase,Reader,"DNA methyltransferase","Small molecule receptor (family A GPCR)","Protein Kinase","Methyl-lysine/arginine binding protein","Monoamine receptor","Atyp
ical protein kinase group","PWWP domain","Acetylcholine receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"2.1.1.- Methyltransferases","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Acetylcholine receptors (muscarinic)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (P
IKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle",Hemostasis,"Developmental Biology","DNA Repair",Metabolism,"Immune System","Metabolism of proteins","Signal Transduction","Gene expression (Transcription)",Mitotic,"Platelet activation",
"signaling and aggregation","Nervous system development","DNA Double-Strand Break Repair","Biological oxidations","Cytokine Signaling in Immune system","Post-translational protein modification","Innat
e Immune System","Signaling by GPCR","Cell Cycle Checkpoints","RNA Polymerase II Transcription","M Phase","Platelet Aggregation (Plug Formation)","EGR2 and SOX10-mediated initiation of Schwann cell my
elination","Homology Directed Repair","Phase I - Functionalization of compounds","Signaling by Interleukins",SUMOylation,"Neutrophil degranulation","Mitotic G1 phase and G1/S transition","GPCR ligand 
binding","G1/S DNA Damage Checkpoints","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation
","Interleukin-1 family signaling","SUMO E3 ligases SUMOylate target proteins","G1/S Transition","Class A/1 (Rhodopsin-like receptors)","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regu
lation by MECP2","Transcriptional Regulation by TP53","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","Interleukin-1 signaling","SUMOylation of DNA methylation proteins","Activation of
 the pre-replicative complex","Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response","Regulation of MECP2 expression and activity","Regulation of TP53 Activity","Nuclear Envelope (NE)
 Reassembly","Homologous DNA Pairing and Strand Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic acetylcholine receptors","Stabilization of p53","Regulation of TP53 Expression and De
gradation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Deg
radation"}

> <broad_targets>
{DNMT1,DNMT3A}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{5-azacytidine,5azacytidine,Azacitidine,320-67-2,320672,Ladakamycin,Azacytidine,Vidaza,Mylosar,5-azacitidine,5azacitidine,Azacitidinum,Azacitidina,"Azacitidinum (INN-Latin)","Azacitidinum (INNLatin)",
5-AZAC,5AZAC,"Azacitidina (INN-Spanish)","Azacitidina (INNSpanish)",NSC-102816,NSC102816,C8H12N4O5,U-18496,U18496,4-Amino-1-beta-D-ribofuranosyl-s-triaz,4Amino1betaDribofuranosylstriaz,T1339,S1782,SAM
002264595,1502111,azacitidine,CPD000857239,AZACITIDINE,"5-Aza-2-deoxycytidine (Decitabine)","5-Azacytidine (Vidaza)"}

> <pdid>
PD001379

> <targets>
{}

> <classes>
{"pyrimidine antimetabolite",antineoplastic}

> <pubchem_cids>
{9444}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 33  0  0  1  0            999 V2000
    7.7157   -4.1245    0.0000 Na  0  3
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0  1  0  0  0
    1.3070   -5.2502    0.0000 C   0  0  1  0  0  0
    2.6078   -5.9988    0.0000 C   0  0  1  0  0  0
    2.6109   -7.4996    0.0000 C   0  0
    3.9117   -8.2481    0.0000 O   0  0
    3.9148   -9.7490    0.0000 P   0  0
    5.2149  -10.4971    0.0000 O   0  0
    2.6171  -10.5012    0.0000 O   0  5
    3.9172  -11.2490    0.0000 O   0  0
    3.9056   -5.2465    0.0000 O   0  0
    0.0093   -6.0025    0.0000 O   0  0
    2.6016   -2.9971    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 O   0  0
    3.8971    0.7500    0.0000 N   0  0
    3.8971   -0.7500    0.0000 C   0  0
    5.1962   -1.5000    0.0000 O   0  0
    2.5981   -1.5000    0.0000 N   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 11 18  1  6
 10 19  1  1
  9 20  1  6
  6 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25  5  1  0
 22 26  1  0
  3 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32  2  2  0
M  CHG  2   1   1  16  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11582

> <plate>
PLATE 008

> <well>
H2

> <supplier_cmpd_name>
Flavin mononucleotide

> <ctcr_id>
11017

> <supplier_cmpd_id>
T1331

> <smiles>
[Na+].c12c(nc3c(n1C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O)O)O)O)cc(c(C)c3)C)c(=O)[nH]c(=O)n2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"riboflavin sodium phosphate",130-40-5,130405,"Riboflavin 5'-phosphate sodium","Riboflavin 5'phosphate sodium","RIBOFLAVIN PHOSPHATE SODIUM",FMN-Na,FMNNa,"RIBOFLAVIN 5-PHOSPHATE SODIUM","RIBOFLAVIN 5
PHOSPHATE SODIUM","Riboflavin (phosphate sodium)","Riboflavin-5'-phosphate sodium","Riboflavin5'phosphate sodium",UNII-957E53WV42,UNII957E53WV42,957E53WV4,T1331,"Flavin mononucleotide"}

> <pdid>

> <targets>
{VB2}

> <classes>
{Metabolism}

> <pubchem_cids>
{23666409}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
    5.0987   -1.5073    0.0000 Na  0  3
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  5
   -2.5951   -3.0039    0.0000 S   0  0
   -1.2948   -3.7517    0.0000 O   0  0
   -1.2973   -2.2519    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8902   -5.2570    0.0000 C   0  0
   -5.1877   -6.0097    0.0000 C   0  0
   -6.4883   -5.2624    0.0000 C   0  0
   -7.7858   -6.0150    0.0000 N   0  0
   -6.4914   -3.7624    0.0000 C   0  0
   -5.1939   -3.0097    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
  8 20  2  0
 20  3  1  0
M  CHG  2   1   1   9  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11583

> <plate>
PLATE 008

> <well>
H3

> <supplier_cmpd_name>
Sulfamethazine sodium salt

> <ctcr_id>
102

> <supplier_cmpd_id>
T2184L

> <smiles>
[Na+].Cc1cc(C)nc([N-][S](=O)(=O)c2ccc(N)cc2)n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sulfamethazine sodium salt",1981-58-4,1981584,"SULFAMETHAZINE SODIUM","Sulfadimidine sodium","Sodium sulfamethazine","Sulfamethazine (sodium)",UNII-7Z13P9Q95C,UNII7Z13P9Q95C,7Z13P9Q95C,"Sodium sulfa
metazine","Sodium sulfamethamide","Sodium sulfamez",T2184L,Prestw-775}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{13456556}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 C   0  0
    3.8971    5.2500    0.0000 C   0  0
    5.1961    6.0001    0.0000 O   0  0
    2.5980    6.0000    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0000    4.5000    0.0000 O   0  0
    0.0000    6.0000    0.0000 O   0  0
    2.5949    7.5009    0.0000 C   0  0
    1.2948    8.2490    0.0000 O   0  0
    3.8927    8.2531    0.0000 N   0  0
    5.1984    3.0023    0.0000 N   0  0
    6.4964    3.7542    0.0000 C   0  0
    5.2010    1.5023    0.0000 C   0  0
    1.2638   -2.2496    0.0000 O   0  0
    8.9971    2.2518    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11  5  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14  3  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  3
 17  2  1  0
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  3
 21 16  1  0
 21 22  1  0
 15 23  1  0
 11 24  1  0
 10 25  1  0
  9 26  1  0
 26 27  2  0
 26 28  1  0
  6 29  1  0
 29 30  1  0
 29 31  1  0
  2 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11584

> <plate>
PLATE 008

> <well>
H4

> <supplier_cmpd_name>
Tetracycline

> <ctcr_id>
803

> <supplier_cmpd_id>
T0912L

> <smiles>
CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW14,"TETRACYCLINE HYDROCHLORIDE",64-75-5,64755,"Tetracycline HCl","Achromycin hydrochloride","Tetracycline (hydrochloride)",MFCD00078142,Supramycin,Sustamycin,Sumycin,Telotrex,UNII-P6R62377KV,UNI
IP6R62377KV,Achromycin,Quatrex,P6R62377KV,Bristacycline,Dumocyclin,64-75-,6475,T0912,T0912L,1500566,Prestw-140,"Tetracycline hydrochloride",Tetracycline}

> <pdid>
PD055528

> <targets>
{}

> <classes>
{antiamebic,antirickettsial,antibacterial}

> <pubchem_cids>
{54704426}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 26  0  0  1  0            999 V2000
   12.7052    2.4566    0.0000 O   0  0
   10.2052    2.4566    0.0000 O   0  0
    7.7052    2.4566    0.0000 O   0  0
    0.1194   -2.3933    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    2.2393   -0.8534    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0  2  0  0  0
   -0.8796    2.4866    0.0000 C   0  0  2  0  0  0
   -0.6422    3.9624    0.0000 N   0  0
    0.7599    4.4978    0.0000 C   0  0
    1.9236    3.5514    0.0000 O   0  0
    0.9982    5.9795    0.0000 C   0  0  2  0  0  0
   -0.1656    6.9259    0.0000 N   0  0
    2.4003    6.5149    0.0000 C   0  0
    2.6407    7.9956    0.0000 C   0  0
    4.0431    8.5278    0.0000 C   0  0
    5.2052    7.5794    0.0000 C   0  0
    4.9649    6.0988    0.0000 C   0  0
    3.5625    5.5665    0.0000 C   0  0
   -2.0931    1.6049    0.0000 C   0  0
   -3.5746    1.8395    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  0
   -3.1247   -2.0836    0.0000 O   0  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
  9 21  1  0
 21 22  2  0
 21 23  1  0
 23  8  1  0
 23 24  1  0
 24  5  1  0
 24 25  1  6
 25 26  1  0
 25 27  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11585

> <plate>
PLATE 008

> <well>
H5

> <supplier_cmpd_name>
Ampicillin

> <ctcr_id>
4216

> <supplier_cmpd_id>
T0814L

> <smiles>
O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O

> <pd_targets>
{LMNA,KDM4E,TSHR,TDP1,RECQL,POLB,TEK,HPGD,AMPC,HSD17B10,ALD,GLA,BLM,CYP3A4,SLC15A2,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PBP2A,PBP1B,PBP3,PBPA,PENA}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator","Membrane receptor",Enzyme,Transporter,"Unclassified protein",Eraser,"Family A G protein-coupled receptor",Hydrolase,Protease,Kinase,Oxidoreductase,"Cyt
ochrome P450","Electrochemical transporter","Lysine demethylase","Peptide receptor (family A GPCR)","Cysteine protease","Protein Kinase","Cytochrome P450 family 3","SLC superfamily of solute carriers"
,"Serine protease","Jumonji domain-containing","Glycohormone receptor","Cysteine protease CA clan","TK protein kinase group","Cytochrome P450 family 3A","SLC15 family of peptide transporters","Serine 
protease SE clan","Cysteine protease C1A family","Tyrosine protein kinase Tie family","Cytochrome P450 3A4","Serine protease S11 family"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","G protein-coupled receptors","Catalytic receptors","Eicosanoid turnover","Cytochrome P450","SLC superfamily of solute carriers","1.14.11.
- Histone demethylases","Glycoprotein hormone receptors","Receptor kinases","Prostaglandin synthases","CYP3 family","SLC15 family of peptide transporters","TK: Tyrosine kinase","Receptor tyrosine kina
ses (RTKs)","Type XII RTKs: TIE family of angiopoietin receptors"}

> <pathway_reactome>
{"Cell Cycle",Disease,"DNA Repair","Signal Transduction",Metabolism,"Transport of small molecules",Mitotic,"Infectious disease","DNA Double-Strand Break Repair","Base Excision Repair","MAPK family sig
naling cascades","Metabolism of lipids","Metabolism of amino acids and derivatives","SLC-mediated transmembrane transport","M Phase","Leishmania infection","Nonhomologous End-Joining (NHEJ)","Resoluti
on of Abasic Sites (AP sites)","MAPK1/MAPK3 signaling","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Sphingolipid metabolism","Homology Directed R
epair","Transport of inorganic cations/anions and amino acids/oligopeptides","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Resolution of AP sites via the multiple-nucleot
ide patch replacement pathway","RAF/MAP kinase cascade","Biosynthesis of DHA-derived SPMs","Glycosphingolipid metabolism","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)",
"Proton/oligopeptide cotransporters","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","PCNA-Dependent Long Patch Base Excision Repair","Biosynthesis of D-series 
resolvins","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing 
and Strand Exchange","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{615-347-9,6153479,7177-48-2,7177482,"Ampicillin trihydrate","Aminobenzylpenicillin trihydrate",UNII-HXQ6A1N7R6,UNIIHXQ6A1N7R6,HXQ6A1N7R6,CHEBI:31209,Amperil,Ampinova,Trafarbiot,Amcap,Cymbi,"AMPICILLI
N/AMPICILLIN TRIHYDRATE","Ampicillin 3-wasser","Ampicillin 3wasser",NCI-C56086,NCIC56086,C16H2,T0814,T0814L,Prestw-114,"Ampicillin Trihydrate",Ampicillin}

> <pdid>
PD010040

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23565}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 33  0  0  0  0            999 V2000
   12.0649   -6.0244    0.0000 H   0  3
    9.5649   -6.0244    0.0000 Cl  0  5
    6.3090   -5.7131    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.7552   -9.1697    0.0000 I   0  0
    0.7130   -8.3588    0.0000 C   0  0
    1.1844   -9.7837    0.0000 O   0  0
    2.6539  -10.0888    0.0000 C   0  0
    3.1253  -11.5137    0.0000 C   0  0
    4.5948  -11.8188    0.0000 N   0  0
    5.0662  -13.2437    0.0000 C   0  0
    6.5348  -13.5486    0.0000 C   0  0
    5.5957  -10.7005    0.0000 C   0  0
    7.0640  -11.0071    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    3.1813   -7.5478    0.0000 I   0  0
    1.2449   -5.8157    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15  7  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 22 31  1  0
 31 32  1  0
 31 33  2  0
 33 18  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11586

> <plate>
PLATE 008

> <well>
H6

> <supplier_cmpd_name>
Amiodarone hydrochloride

> <ctcr_id>
2099

> <supplier_cmpd_id>
T1496

> <smiles>
[H+].[Cl-].CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3

> <pd_targets>
{SIGMAR1,TSHR,HIF1A,CHRM1,SCN7A,PHF2,SLCO1A4,CYP1A2,CCR4,CYP2C9,AR,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN8A,SCN9A,ABCB11,FDFT1,KCNH2,ABCB1,RORC,ALDH1A1,SQLE,KDM7A,KCNA7,THPO,TP53,CACNA1C,CACN
A1D,CACNA1F,CACNA1S,BDKRB2,HTR1B,MAPK1,EBP,CYP2D6,CYP2C8,ERG2,HTT,CHRM5,CYP3A4,NFKB1,FFP,THRB,LEF,NPSR1,PMP22,NS1,BLM,LMNA,NFO,KMT2A,MEN1,FTL,MAPT,ATM,GMNN,ABCB1A,DRD4,CHRM2,OPRD1,OPRK1,SLC6A4,ADORA3,
SLC6A3,HTR6,ABCB1B,MTOR,THRA,ADRA2B,ADRB3,SLC6A2,HRH2,MC3R,FYN,ERBB2,HTR2B,KDM5A,ADRB1,DRD2,CHRM3,HTR2C,DRD3,MC4R,OPRM1,HTR2A,TACR2,ADRA2A,CCR2,EDNRA,MC5R,CHRM4,KCNH6,KCNH7,ADRB2,CACNA1I,CACNB1,CACNB2
,CACNB3,CACNB4,PPARG,PPARA,PPARGC1B}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor","Ion channel",Enzyme,Transporter,"Epigenetic regulator","Unclassified protein","Other cytosolic protein","Other nuclear protein","Family A G protein-coupled
 receptor","Voltage-gated ion channel",Oxidoreductase,"Electrochemical transporter","Cytochrome P450","Nuclear receptor","Primary active transporter",Eraser,Kinase,Protease,Isomerase,Transferase,Hydro
lase,Reader,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Voltage-gated sodium channel","SLC superfamily of solute carriers","Cytochrome P450 family 1","Cytochrome P450
 family 2","Nuclear hormone receptor subfamily 3","ATP-binding cassette","Potassium channels","Nuclear hormone receptor subfamily 1","Lysine demethylase","Voltage-gated calcium channel","Protein Kinas
e","Cysteine protease","Cytochrome P450 family 3","Metallo protease",Bromodomain,"Glycohormone receptor","Monoamine receptor","SLC21/SLCO family of organic anion transporting polypeptides","Cytochrome
 P450 family 1A","Chemokine receptor","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 3 group C","ABCB subfamily","Voltage-gated potassium channel","Nuclear hormone receptor subfamily 
1 group F","Jumonji domain-containing","Short peptide receptor (family A GPCR)","CMGC protein kinase group","Cysteine protease CA clan","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Nuclear
 hormone receptor subfamily 1 group A","Metallo protease MAE clan","Atypical protein kinase group","SLC06 neurotransmitter transporter family","Nucleotide-like receptor (family A GPCR)","TK protein ki
nase group","Nuclear hormone receptor subfamily 1 group C","Acetylcholine receptor","Cytochrome P450 1A1","CC chemokine receptor","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 3 group C me
mber 4","Nuclear hormone receptor subfamily 1 group F member 3","Bradykinin receptor","Serotonin receptor","CMGC protein kinase MAPK family","Cysteine protease C1A family","Cytochrome P450 2D6","Cytoc
hrome P450 2C8","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group A member 2","Metallo protease M34 family","Neuropeptide receptor","Atypical protein kinase PIKK family","Dopamine rece
ptor","Opioid receptor","Adenosine receptor","Nuclear hormone receptor subfamily 1 group A member 1","Adrenergic receptor","Histamine receptor","Melanocortin receptor","Tyrosine protein kinase Src fam
ily","Tyrosine protein kinase EGFR family","Neurokinin receptor","Endothelin receptor","Nuclear hormone receptor subfamily 1 group C member 3","Nuclear hormone receptor subfamily 1 group C member 1","
CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,Transporters,"Ion channels","Sigma receptors","G protein-coupled receptors","Chromatin modifying enzymes","Cytochrome P450","Nuclear hormone receptors","ATP-
binding cassette transporter family","Lanosterol biosynthesis pathway","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Catalytic receptors","Glycoprotein horm
one receptors","Acetylcholine receptors (muscarinic)","1.14.11.- Histone demethylases","CYP1 family","Chemokine receptors","CYP2 family: drug metabolising subset","Steroid hormone receptors","ABCB sub
family","Potassium channels","1F. Retinoic acid-related orphans","Bradykinin receptors","5-Hydroxytryptamine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Voltage-gated sod
ium channels","1A. Thyroid hormone receptors","Neuropeptide S receptor",Atypical,"Dopamine receptors","Opioid receptors","SLC6 neurotransmitter transporter family","Adenosine receptors",Adrenoceptors,
"Histamine receptors","Melanocortin receptors","Receptor kinases","Tachykinin receptors","Endothelin receptors","Voltage-gated calcium channels","1C. Peroxisome proliferator-activated receptors","3C. 
3-Ketosteroid receptors","Voltage-gated potassium channels","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter sub
family","TK: Tyrosine kinase","ERK subfamily","Other PIKK family kinases","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Src family","Type I RTKs: ErbB (e
pidermal growth factor) receptor family"}

> <pathway_reactome>
{Disease,"Cellular responses to external stimuli","Signal Transduction","Developmental Biology","Chromatin organization",Metabolism,"Gene expression (Transcription)","Muscle contraction","Neuronal Sys
tem",Hemostasis,"Cell Cycle","Immune System","Metabolism of proteins","DNA Repair","Vesicle-mediated transport","Infectious disease","Cellular responses to stress","Signaling by GPCR","Nervous system 
development","Chromatin modifying enzymes","Biological oxidations","RNA Polymerase II Transcription","Metabolism of lipids","Cardiac conduction","Abacavir transport and metabolism","Diseases of signal
 transduction by growth factor receptors and second messengers","Potassium Channels","Platelet activation","signaling and aggregation","Cell Cycle Checkpoints","Innate Immune System","Cytokine Signali
ng in Immune system","Post-translational protein modification","DNA Double-Strand Break Repair",Mitotic,"Membrane Trafficking","Transmission across Chemical Synapses","Disorders of transmembrane trans
porters","SARS-CoV Infections","Leishmania infection","Cellular response to hypoxia","GPCR ligand binding","Axon guidance","HDMs demethylate histones","Phase I - Functionalization of compounds","Gener
ic Transcription Pathway","Metabolism of steroids","Phase 3 - rapid repolarisation","Abacavir transmembrane transport","Oncogenic MAPK signaling","Voltage gated Potassium channels","Platelet Aggregati
on (Plug Formation)","G1/S DNA Damage Checkpoints","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by Interleukins",SUMOylation,"Uptake and actions
 of bacterial toxins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","M Phase","trans-Golgi Network Vesicle Budding","Neurotransmitter receptors and postsy
naptic signal transmission","Mitotic G1 phase and G1/S transition","Neurotransmitter clearance","SLC transporter disorders","HIV Infection","GPCR downstream signalling","Potential therapeutics for SAR
S","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Class A/1 (Rhodopsin-like receptors)","L1CAM interactions","Cytochrome P450 - a
rranged by substrate type","Transcriptional regulation by RUNX2","Bile acid and bile salt metabolism","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional regulation by RUNX3","E
thanol oxidation","Signaling by BRAF and RAF fusions","p53-Dependent G1/S DNA damage checkpoint","Toll Like Receptor 5 (TLR5) Cascade","Cholesterol biosynthesis","Transcriptional Regulation by MECP2",
"Biosynthesis of DHA-derived SPMs","Interleukin-1 family signaling","SUMO E3 ligases SUMOylate target proteins","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or S
ingle Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Golgi Associated Vesicle Biogenesis","Activation of NMDA receptors and postsynaptic events","G1/S Transition","Serotonin clearance from 
the synaptic cleft","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Transcriptional Regulation by TP53","Defective SLC6A2 causes orthostatic intolerance (OI)","Host Interactions of 
HIV factors","Semaphorin interactions","G alpha (i) signalling events","NCAM signaling for neurite out-growth","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-bindin
g receptors","Interaction between L1 and Ankyrins",Xenobiotics,"Peptide ligand-binding receptors","RUNX2 regulates bone development","Synthesis of bile acids and bile salts","Activation of gene expres
sion by SREBF (SREBP)","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane","Cholesterol biosynthesis via desmostero
l","Regulation of MECP2 expression and activity","Biosynthesis of maresins","Interleukin-1 signaling","SUMOylation of intracellular receptors","HDR through Homologous Recombination (HRR)","Mitotic Ana
phase","Post NMDA receptor activation events","Activation of the pre-replicative complex","MECP2 regulates neuronal receptors and channels","Nucleotide-like (purinergic) receptors","Regulation of TP53
 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","Sema4D in semaphorin signaling","Opioid Signalling","NCAM1 interactions","MECP2 regulates transcription factors","Regulation
 of RUNX2 expression and activity","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Ch
emokine receptors bind chemokines","CYP2E1 reactions","RUNX2 regulates osteoblast differentiation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Stabilization of p53","Seroto
nin receptors","MAP kinase activation","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly",
"Activation of AMPK downstream of NMDARs","Dopamine receptors","Adenosine P1 receptors","Regulation of TP53 Expression and Degradation",Adrenoceptors,"Nef and signal transduction","Sema4D induced cell
 migration and growth-cone collapse","G-protein activation","Tachykinin receptors bind tachykinins","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kina
ses","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADRB1,CACNA1H,CACNA2D2,KCNA7,KCNH2}

> <broad_moa>
{"potassium channel blocker"}

> <synonyms>
{RESTW40,MCULE-1243290270,MCULE1243290270,AKOS026750123,FT-0651477,FT0651477,"Amiodarone hydrochloride",19774-82-4,19774824,"Amiodarone HCL",Nexterone,Amiodar,Pacerone,Uro-Septra,UroSeptra,"Amiodarone
 (hydrochloride)",UNII-976728SY6Z,UNII976728SY6Z,"51087 N HCl",MLS000028520,"SKF 33134-A","SKF 33134A",MFCD00069204,NSC-85442,NSC85442,T1496,SAM001246646,2300165,Prestw-409,CPD000058296,"AMIODARONE HY
DROCHLORIDE"}

> <pdid>
PD009796

> <targets>
{}

> <classes>
{"adrenergic agonist","Ca channel blocker","coronary vasodilator"}

> <pubchem_cids>
{29770,657191,441325}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  1  0            999 V2000
    0.1194   -2.3933    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    2.2393   -0.8534    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0  2  0  0  0
   -0.8796    2.4866    0.0000 C   0  0  2  0  0  0
   -0.6422    3.9624    0.0000 N   0  0
    0.7599    4.4978    0.0000 C   0  0
    1.9236    3.5514    0.0000 O   0  0
    0.9982    5.9795    0.0000 C   0  0  1  0  0  0
   -0.1656    6.9259    0.0000 N   0  0
    2.4003    6.5149    0.0000 C   0  0
    2.6407    7.9956    0.0000 C   0  0
    4.0431    8.5278    0.0000 C   0  0
    5.2052    7.5794    0.0000 C   0  0
    6.6076    8.1116    0.0000 O   0  0
    4.9649    6.0988    0.0000 C   0  0
    3.5625    5.5665    0.0000 C   0  0
   -2.0931    1.6049    0.0000 C   0  0
   -3.5746    1.8395    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  0
   -3.1247   -2.0836    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  1
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
  6 19  1  0
 19 20  2  0
 19 21  1  0
 21  5  1  0
 21 22  1  0
 22  2  1  0
 22 23  1  6
 23 24  1  0
 23 25  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11587

> <plate>
PLATE 008

> <well>
H7

> <supplier_cmpd_name>
Amoxicillin trihydrate

> <ctcr_id>
4342

> <supplier_cmpd_id>
T1005L

> <smiles>
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O

> <pd_targets>
{KDM4E,LMNA,AMPC,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PBP1}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein",Enzyme,Eraser,Hydrolase,Protease,"Lysine demethylase","Serine protease","Jumonji domain-containing","Serine protease SE clan","Serine protease S11 famil
y"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CYP2C19,SLC15A1,SLC15A2,SLC22A6}

> <broad_moa>
{"penicillin binding protein inhibitor"}

> <synonyms>
{L-Amoxicillin,LAmoxicillin,"Amoxicillin, L-","Amoxicillin, L",26889-93-0,26889930,UNII-623M8I9SZN,UNII623M8I9SZN,"Amoxicillin related compound B",623M8I9SZN,CAS-26787-78-0,CAS26787780,"Amoxicillin tr
ihydrate impurity B (EP)",Spectrum_000048,Spectrum000048,Spectrum-000048,"Spectrum 000048",Spectrum2_000145,Spectrum2000145,Spectrum2-000145,"Spectrum2 000145",Spectrum3_000300,Spectrum3000300,Spectru
m3-000300,"Spectrum3 000300",Spectrum4_000148,Spectrum4000148,Spectrum4-000148,"Spectrum4 000148",Spectrum5_000810,Spectrum5000810,Spectrum5-000810,"Spectrum5 000810",T1005,T1005L,1500120,Amoxicillin,
"Amoxicillin trihydrate",AMOXICILLIN}

> <pdid>
PD002475

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{32324,40469541}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
    6.3990   -0.7486    0.0000 Na  0  3
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  5
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  7  9  2  0
  6 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18  4  1  0
 18 12  1  0
M  CHG  2   1   1   8  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11588

> <plate>
PLATE 008

> <well>
H8

> <supplier_cmpd_name>
Nalidixic acid sodium salt

> <ctcr_id>
5829

> <supplier_cmpd_id>
T0909L

> <smiles>
[Na+].CCN1C=C(C([O-])=O)C(=O)c2ccc(C)nc12

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Nalidixic acid sodium salt",3374-05-8,3374058,Baktogram,"Nalidixic acid sodium","NALIDIXATE SODIUM","Nalidixate (sodium)","Nalidixic acid (sodium salt)",UNII-Y7NU182221,UNIIY7NU182221,"Sodium nalidi
xate",MFCD00064376,Y7NU182221,"sodium 1-ethyl-7-me","sodium 1ethyl7me",T0909L,Prestw-1447}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3864541}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 S   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    6.1065    0.7504    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11589

> <plate>
PLATE 008

> <well>
H9

> <supplier_cmpd_name>
6-Mercaptopurine monohydrate

> <ctcr_id>
11018

> <supplier_cmpd_id>
T2201

> <smiles>
c1nc2c([nH]1)c(=S)nc[nH]2.O

> <pd_targets>
{PUNA,ALD,HBB,TGR,KDM4E,TDP1,ALDH1A1,HPGD,TP53,AMPC,FFP,PTGS1,HPRT1,PPAT,IMPDH1,IMPDH2}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Epigenetic regulator","Transcription factor",Transferase,Eraser,Hydrolase,Oxidoreductase,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Eicosanoid turnover","Peptidases and proteinases","1.14.11.- Histone demethylases","Prostaglandin synthases",Cyclooxygenase,"PB: Threonine (T) Peptidases","C44:
 Phosphoribosyl pyrophosphate amidotransferase"}

> <pathway_reactome>
{"Immune System","DNA Repair",Metabolism,"Cell Cycle","Innate Immune System","DNA Double-Strand Break Repair","Biological oxidations","Metabolism of lipids","Cell Cycle Checkpoints","Metabolism of nuc
leotides","Neutrophil degranulation","Nonhomologous End-Joining (NHEJ)","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpoi
nts","Fatty acid metabolism","Nucleotide salvage","Nucleobase biosynthesis","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Arachidonic acid metaboli
sm","Purine salvage","Purine ribonucleoside monophosphate biosynthesis","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","Synthesis of Prostaglandins (PG) and Thromboxanes (
TX)","Stabilization of p53","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{HPRT1,IMPDH1,IMPDH2,PPAT}

> <broad_moa>
{immunosuppressant,"protein synthesis inhibitor","purine antagonist"}

> <synonyms>
{"-MERCAPTOPURINE MONOHYDRAT","MERCAPTOPURINE MONOHYDRAT","6-MERCAPTOPURINE MONOHYDRATE","6MERCAPTOPURINE MONOHYDRATE",6112-76-1,6112761,"6-Mercaptopurine hydrate","6Mercaptopurine hydrate","Mercaptop
urine hydrate","Mercaptopurine Monohydrate","6H-Purine-6-thione, 1,7-dihydro-, monohydrate","6HPurine6thione, 1,7dihydro, monohydrate","6,7-dihydro-3H-purine-6-thione hydrate","6,7dihydro3Hpurine6thio
ne hydrate",1,7-Dihydro-,7Dihydro}

> <pdid>
PD001869

> <targets>
{"DNA synthesis","PRPP Amidotransferase"}

> <classes>
{"DNA Damage/DNA Repair",Others}

> <pubchem_cids>
{2724350}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  1  0            999 V2000
    3.8917   -5.2577    0.0000 C   0  0
    3.8934   -3.7577    0.0000 O   0  0
    2.5949   -3.0050    0.0000 C   0  0
    1.2948   -3.7531    0.0000 O   0  0
    2.5966   -1.5042    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 S   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    5.1956   -1.5125    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    2.6078    1.4964    0.0000 Cl  0  0
   10.3023   -0.3793    0.0000 O   0  0
   10.3023   -1.8793    0.0000 S   0  0
   10.3023   -3.3793    0.0000 O   0  0
    9.0030   -2.6289    0.0000 O   0  0
   11.6016   -2.6289    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  5  3  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  2  0
 13 14  1  0
 14  6  1  0
  5 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 23 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11590

> <plate>
PLATE 008

> <well>
H10

> <supplier_cmpd_name>
(±) Clopidogrel hydrogen sulfate

> <ctcr_id>
1368

> <supplier_cmpd_id>
T0182L2

> <smiles>
COC(=O)[C@@H](N1CCc2sccc2C1)c3ccccc3Cl.O[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Clopidogrel bisulfate",120202-66-6,120202666,"Clopidogrel hydrogen sulfate","CLOPIDOGREL SULFATE",Iscover,Plavix,135046-48-9,135046489,"Clopidogrel bisulphate","Clopidogrel hemisulfate","Clopidogrel
 sulphate","clopidogrel hydrogen sulphate","Clopidogrel (hydrogen sulf",T0182L,T0182L2,S1415,1503710,"(S)-(+)-Clopidogrel hydrogen sulfate","(±) Clopidogrel hydrogen sulfate",Clopidogrel}

> <pdid>

> <targets>
{"P2 Receptor"}

> <classes>
{"platelet aggregation inhibitor","Neuronal Signaling"}

> <pubchem_cids>
{115366,24883467}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    8.9458   -3.5622    0.0000 Na  0  3
    6.2966   -4.8284    0.0000 C   0  0
    4.8054   -4.6666    0.0000 N   0  0
    3.9195   -5.8781    0.0000 C   0  0
    4.5250   -7.2514    0.0000 S   0  0
    5.1307   -8.6237    0.0000 O   0  5
    3.6396   -8.4623    0.0000 O   0  0
    6.0162   -7.4132    0.0000 O   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    6.4451   -1.8434    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.2566    0.5871    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.6120   -3.9767    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  5  8  2  0
  3  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15  9  1  0
 15 16  2  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  CHG  2   1   1   6  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11591

> <plate>
PLATE 008

> <well>
H11

> <supplier_cmpd_name>
Dipyron

> <ctcr_id>
4153

> <supplier_cmpd_id>
T1191L

> <smiles>
[Na+].CN(C[S]([O-])(=O)=O)C1=C(C)N(C)N(C1=O)c2ccccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{dipyrone,"Metamizole sodium",Analgin,Methampyrone,68-89-3,68893,Novalgin,Methylmelubrin,Neomelurbrin,Algocalmin,sulpyrine,Novalgetol,Optalgin,Pyralgin,Sulpyrin,Narone,Algopyrine,Farmolisina,Nevralgin
a,Novamidazophen,Novaminsulfone,Pharmalgine,Alginodia,T1191,T3272,T1191L,1503298,Prestw-713,"Metamizole magnesium",Dipyron,DIPYRONE,Dipyrone}

> <pdid>

> <targets>
{}

> <classes>
{analgesic,antipyretic}

> <pubchem_cids>
{522325}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  1  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    0.0007    0.0004    0.0000 S   0  0
    2.6000    0.0000    0.0000 C   0  0  2  0  0  0
    2.6000   -1.5000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.1992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
  7  9  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11592

> <plate>
PLATE 009

> <well>
A2

> <supplier_cmpd_name>
DL-Penicillamine

> <ctcr_id>
4015

> <supplier_cmpd_id>
T0983L

> <smiles>
CC(C)(S)[C@H](N)C(O)=O

> <pd_targets>
{DAPE,ALDH1A1,CYP1A2,FFP,MAPT,ALD}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Hydrolase,Oxidoreductase,"Cytochrome P450",Transferase,"Cytochrome P450 family 1","Cytochrome P450 family 1A","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP1 family"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Biological oxidations","Transmission across Chemical Synapses","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmissio
n","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events",Xenobiotics,"Post NMDA receptor activation events","Aromatic amines can be 
N-hydroxylated or N-dealkylated by CYP1A2","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{L-Penicillamine,LPenicillamine,1113-41-3,1113413,3-Mercapto-L-valine,3MercaptoLvaline,"Penicillamine L-form","Penicillamine Lform","(R)-2-Amino-3-mercapto-3-methylbutanoic acid","(R)2Amino3mercapto3m
ethylbutanoic acid",L-(+)-beta-Mercaptovaline,L(+)betaMercaptovaline,3-sulfanyl-L-valine,3sulfanylLvaline,"(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid","(2R)2amino3methyl3sulfanylbutanoic acid",UNII
-NO1YIB7OIG,UNIINO1YIB7OIG,3,3-Dimethyl-L,3DimethylL,T0983,T0983L,Prestw-1477,Artamine,DL-Penicillamine,Penicillamine}

> <pdid>
PD001813

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{92863,6926436}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    7.6943   -0.7539    0.0000 Cl  0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18  5  1  0
 18 13  1  0
  3 19  1  0
 19 20  1  0
 19 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11593

> <plate>
PLATE 009

> <well>
A3

> <supplier_cmpd_name>
Promethazine hydrochloride

> <ctcr_id>
11019

> <supplier_cmpd_id>
T0445L

> <smiles>
Cl.CC(CN1c2ccccc2Sc2ccccc12)N(C)C

> <pd_targets>
{ADRA1A,DRD2,HRH4,HRH1,FFP,SLC6A4,CALM,S,SLC22A1,PDR5,LMNA,ADRA1B,REP,HTT,CALM1,SCN1A,SCN2A,SCN3A,ALDH1A1,HTR2A,GMNN,BLM,PMP22,HIF1A,GFER,MAPT,CHRM3,ADRA1D,ADRA2B,DRD3,CHRM4,CRT,PRNP,MTOR,SLC6A2,HRH2,
HTR1A,HTR6,SIGMAR1,ADRA2A,CHRM2,HTR2C,ADRA2C,CHRM5,HTR2B,CHRM1,LPAR4,LPAR6,P2RX1,P2RX2,P2RX3,P2RX4,P2RX5,P2RX6,P2RX7,P2RY1,P2RY10,P2RY11,P2RY12,P2RY13,P2RY14,P2RY2,P2RY4,P2RY8,SCN10A,SCN11A,SCN4A,SCN5
A,SCN7A,SCN8A,SCN9A,KCNA1,KCNA10,KCNA2,KCNA3,KCNA4,KCNA5,KCNA6,KCNAB1,KCNAB2,KCNB1,KCNB2,KCNC1,KCNC2,KCNC3,KCNC4,KCND1,KCND2,KCND3,KCNE1,KCNE2,KCNE3,KCNE4,KCNE5,KCNF1,KCNG1,KCNG2,KCNG3,KCNG4,KCNH1,KCN
H2,KCNH3,KCNH4,KCNH5,KCNH6,KCNH7,KCNH8,KCNQ1,KCNQ2,KCNQ3,KCNQ4,KCNQ5,KCNS1,KCNS3,KCNV1,KCNV2,ALOX15,HSD17B10,CYP1A2,CYP2D6}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,Transporter,"Unclassified protein","Other nuclear protein","Ion channel","Transcription factor","Other cytosolic protein","Surface antigen","Family A G protein-coupled rece
ptor",Transferase,"Electrochemical transporter","Voltage-gated ion channel",Oxidoreductase,Kinase,"Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Voltage-gated sodium c
hannel","Protein Kinase","Monoamine receptor","SLC06 neurotransmitter transporter family","SLC22 family of organic cation and anion transporters","Atypical protein kinase group","Adrenergic receptor",
"Dopamine receptor","Histamine receptor","Serotonin receptor","Acetylcholine receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily","Cytochrome P450","Cytochrome P450
 family 1","Cytochrome P450 family 2","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Cytochrome P450 1A1","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,Transporters,"Other protein targets",Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Anti-infective targets","Kinases (EC 2.7.x.x)","Sigma receptors",Adrenocepto
rs,"Dopamine receptors","Histamine receptors","SLC6 neurotransmitter transporter family","Viral protein targets","SLC22 family of organic cation and anion transporters","5-Hydroxytryptamine receptors"
,"Acetylcholine receptors (muscarinic)",Atypical,"Monoamine transporter subfamily","Coronavirus (CoV) proteins","Organic cation transporters (OCT)","Phosphatidyl inositol 3' kinase-related kinases (PI
KK) family","FRAP subfamily","Eicosanoid turnover","Cytochrome P450",Lipoxygenases,"CYP1 family","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Neuronal System","Transport of small molecules","Cell Cycle","Gene expression (Transcription)",Metabolism,"DNA Repair","Developmental Biology","Cellular responses to ex
ternal stimuli","Protein localization","Signaling by GPCR","Infectious disease","Transmission across Chemical Synapses","SLC-mediated transmembrane transport",Mitotic,"RNA Polymerase II Transcription"
,"Biological oxidations","DNA Double-Strand Break Repair","Nervous system development","Cellular responses to stress","Mitochondrial protein import","Disorders of transmembrane transporters","GPCR lig
and binding","Leishmania infection","Neurotransmitter clearance","SARS-CoV Infections","Transport of bile salts and organic acids","metal ions and amine compounds","M Phase","Generic Transcription Pat
hway","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Mitotic G1 phase and G1/S transition","Homology Directed Repair","EGR2 and SOX10-med
iated initiation of Schwann cell myelination","Cellular response to hypoxia","Axon guidance","SLC transporter disorders","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival
","Serotonin clearance from the synaptic cleft","SARS-CoV-1 Infection","Organic cation/anion/zwitterion transport","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Activation of
 NMDA receptors and postsynaptic events","Ethanol oxidation","G1/S Transition","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Oxygen-dependent proline hydroxylation of 
Hypoxia-inducible Factor Alpha","NCAM signaling for neurite out-growth","Transcriptional Regulation by TP53","Defective SLC6A2 causes orthostatic intolerance (OI)","Potential therapeutics for SARS","A
mine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Translation of structural proteins","Organic cation transport","Mitotic Anaphase","SARS-CoV-1 Genom
e Replication and Transcription","Regulation of MECP2 expression and activity","Post NMDA receptor activation events","Activation of the pre-replicative complex","HDR through Homologous Recombination 
(HRR)","NCAM1 interactions","Regulation of TP53 Activity",Adrenoceptors,"Dopamine receptors","ADORA2B mediated anti-inflammatory cytokines production","Histamine receptors","Maturation of spike protei
n","Nuclear Envelope (NE) Reassembly","Replication of the SARS-CoV-1 genome","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Serotonin receptors","Homologous DNA Pa
iring and Strand Exchange","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformati
on","Ras activation upon Ca2+ influx through NMDA receptor","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Metabolism of lipids","Metabolism of ami
no acids and derivatives","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate
 type","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Biosynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{"PROMETHAZINE HYDROCHLORIDE",58-33-3,58333,"Promethazine Hcl",Phenergan,"N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine hydrochloride","N,Ndimethyl1(10Hphenothiazin10yl)propan2amine hydrochlor
ide",Fenergan,"Promethazine (hydrochloride)",Diprasine,Diprazin,Fellozine,Pipolfen,Pipolphen,Ro,T0445L,"Promethazine hydrochloride"}

> <pdid>
PD009828

> <targets>
{"¦Á-adrenergic receptor","H1 receptor"}

> <classes>
{"GPCR/G Protein",Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{6014}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
   -0.2823   -5.5001    0.0000 C   0  0
   -0.7300   -4.0685    0.0000 C   0  0  2  0  0  0
   -2.1946   -3.7406    0.0000 C   0  0
   -3.2115   -4.8444    0.0000 C   0  0
   -4.6761   -4.5166    0.0000 C   0  0
   -5.1237   -3.0850    0.0000 O   0  0
   -5.6924   -5.6198    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0  2  0  0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0  2  0  0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  2  8  1  0
  8  9  1  6
  9 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  1
 13 14  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 15  1  0
 21 22  1  6
 21 23  1  0
 23 12  1  0
 23 24  1  6
 24 25  1  0
 25 26  1  0
 26  8  1  0
 26 11  1  0
 26 27  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11594

> <plate>
PLATE 009

> <well>
A4

> <supplier_cmpd_name>
Lithocholic acid

> <ctcr_id>
2742

> <supplier_cmpd_id>
T2202

> <smiles>
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

> <pd_targets>
{CASP7,EPHA2,HSD17B10,TSHR,GROES,GROL,MAPT,BLM,PTPN1,VDR,ST3GAL1,CTDSP1,MDM4,TP53,TDP1,MAPK1,NR1I2,FFP,CYP3A4,GPBAR1,NR1H4,HIF1A,ALD,PTPN2,HSPD1,HSPE1,AKR1B1,AKR1B10}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Other cytosolic protein","Transcription factor",Protease,Kinase,Oxidoreductase,"Family A G protein-coupled receptor",Phosphatase,"Nuclear receptor",
Transferase,Hydrolase,"Cytochrome P450","Cysteine protease","Protein Kinase","Peptide receptor (family A GPCR)","Protein Phosphatase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3",
"Small molecule receptor (family A GPCR)","Cysteine protease CD clan","TK protein kinase group","Glycohormone receptor","Tyrosine protein phosphatase","Nuclear hormone receptor subfamily 1 group I","S
erine/threonine protein phosphatase","CMGC protein kinase group","Cytochrome P450 family 3A","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group H","Cysteine prote
ase C14 family","Tyrosine protein kinase Eph family","Nuclear hormone receptor subfamily 1 group I member 1","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group I member 2","
Cytochrome P450 3A4","Steroid-like ligand receptor","Nuclear hormone receptor subfamily 1 group H member 4","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","Catalytic receptors","G protein-coupled receptors",Phosphatases,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","CD: Cysteine (C) 
Peptidases","Receptor kinases","Glycoprotein hormone receptors","Protein tyrosine phosphatases non-receptor type (PTPN)","1I. Vitamin D receptor-like receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK f
amilies","CYP3 family","Bile acid receptor","1H. Liver X receptor-like receptors","C14: Caspase","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Receptor tyrosine kinases (RTK
s)","ERK subfamily","Type XIII RTKs: Ephrin receptor family","1.-.-.- Oxidoreductases"}

> <pathway_reactome>
{"Programmed Cell Death","Developmental Biology",Metabolism,Disease,"Neuronal System","DNA Repair","Gene expression (Transcription)","Metabolism of proteins","Immune System","Cellular responses to ext
ernal stimuli",Apoptosis,"Nervous system development","Metabolism of amino acids and derivatives","Infectious disease","Transmission across Chemical Synapses","DNA Double-Strand Break Repair","RNA Pol
ymerase II Transcription","Post-translational protein modification","Innate Immune System","Metabolism of lipids","Cellular responses to stress","Cytokine Signaling in Immune system","Intrinsic Pathwa
y for Apoptosis","Axon guidance","Branched-chain amino acid catabolism","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Homology Directed Repair","Generic Tra
nscription Pathway",SUMOylation,"SARS-CoV Infections","Nonhomologous End-Joining (NHEJ)","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroi
ds","Cellular response to hypoxia","Interferon Signaling","Apoptotic factor-mediated response","EPH-Ephrin signaling","Leishmania parasite growth and survival","Activation of NMDA receptors and postsy
naptic events","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by MECP2","SUMO E3 ligases SUMOylate target proteins","SARS-CoV-1 Infection","T
oll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Interferon gamma
 signaling","Cytochrome c-mediated apoptotic response","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events",
"HDR through Homologous Recombination (HRR)","MECP2 regulates neuronal receptors and channels","SUMOylation of intracellular receptors","Translation of structural proteins","MyD88 cascade initiated on
 plasma membrane","Biosynthesis of maresins","Synthesis of bile acids and bile salts","Regulation of IFNG signaling","Activation of caspases through apoptosome-mediated cleavage","ADORA2B mediated ant
i-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Maturation of protein 3a","MAP kinase activation","Biosynthesis of maresin-
like SPMs","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","
ERK/MAPK targets","ERKs are inactivated","Metabolism of vitamins and cofactors","Metabolism of fat-soluble vitamins","Metabolism of steroid hormones","Retinoid metabolism and transport","Pregnenolone 
biosynthesis"}

> <broad_targets>
{GPBAR1,NR1H4,NR1I2,VDR}

> <broad_moa>
{"FXR antagonist","vitamin D receptor agonist"}

> <synonyms>
{RESTW79,"LITHOCHOLIC ACID",434-13-9,434139,"Lithocolic acid",Lithocholate,"3alpha-Hydroxy-5beta-cholan-24-oic acid","3alphaHydroxy5betacholan24oic acid","3alpha-Hydroxy-5beta-cholanic acid","3alphaHy
droxy5betacholanic acid","3alpha-Hydroxycholanic acid","3alphaHydroxycholanic acid","3-alpha-Hydroxycholanic acid","5beta-Cholanic acid-3alpha-ol","5betaCholanic acid3alphaol",NCI-C03861,NCIC03861,3,T
2202,Prestw-796,"Lithocholic acid"}

> <pdid>
PD001530

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{9903}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 10  0  0  0  0            999 V2000
   12.7999    1.1254    0.0000 H   0  3
   10.2999    1.1254    0.0000 Cl  0  5
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    1.3000    2.2500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  5
    7.7992    0.0004    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
M  CHG  4   1   1   2  -1   4   1  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11595

> <plate>
PLATE 009

> <well>
A5

> <supplier_cmpd_name>
L-Carnitine hydrochloride

> <ctcr_id>
655

> <supplier_cmpd_id>
T2203

> <smiles>
[H+].[Cl-].C[N+](C)(C)CC(O)CC([O-])=O

> <pd_targets>
{AMPC,CPT2,CPT1B,CPT1A,SLC22A16}

> <pathway_gtopdb>
{Enzyme,Hydrolase,Transferase,Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters","Organic zwitterions/cation transporters (OCTN)"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Carnitine metabolism","Transport of small molecules","SLC-mediated transmembrane transport","Transport of bile salts and organic acids","met
al ions and amine compounds","Organic cation/anion/zwitterion transport","Organic cation transport"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Carnitine hydrochloride",461-05-2,461052,"d,l-Carnitine hydrochloride","d,lCarnitine hydrochloride","L-Carnitine hydrochloride","LCarnitine hydrochloride","DL-CARNITINE HCL","DLCARNITINE HCL","(R)-C
arnitine (hydrochloride)","(R)Carnitine (hydrochloride)","(S)-Carnitine (hydrochloride)","(S)Carnitine (hydrochloride)","3-Hydroxy-4-(trimethylammonio)butanoate hydroch","3Hydroxy4(trimethylammonio)bu
tanoate hydroch",1500624,"CARNITINE (dl) HYDROCHLORIDE"}

> <pdid>
PD000410

> <targets>
{}

> <classes>
{antihyperlipoproteinemic,"gastric/ pancreatic secretion stimulant"}

> <pubchem_cids>
{9794197,5970}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  1  0            999 V2000
    3.8917   -5.2577    0.0000 C   0  0
    3.8934   -3.7577    0.0000 O   0  0
    2.5949   -3.0050    0.0000 C   0  0
    1.2948   -3.7531    0.0000 O   0  0
    2.5966   -1.5042    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 S   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    5.1956   -1.5125    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    2.6078    1.4964    0.0000 Cl  0  0
   10.3023   -0.3793    0.0000 O   0  0
   10.3023   -1.8793    0.0000 S   0  0
    9.0030   -2.6289    0.0000 O   0  0
   11.6016   -2.6289    0.0000 O   0  0
   10.3023   -3.3793    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  5  3  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  2  0
 13 14  1  0
 14  6  1  0
  5 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 22 23  1  0
 23 24  2  0
 23 25  2  0
 23 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11596

> <plate>
PLATE 009

> <well>
A6

> <supplier_cmpd_name>
(S)-(+)-Clopidogrel hydrogen sulfate

> <ctcr_id>
16077

> <supplier_cmpd_id>
T0182L

> <smiles>
COC(=O)[C@@H](N1CCc2sccc2C1)c3ccccc3Cl.OS(=O)(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"(S)-(+)-Clopidogrel bisulfate","(S)-(+)-Clopidogrel hydrogen sulfate",HY-17459,"Clopidogrel (hydrogen sulfate)","Clopidogrel (hydrogen sulfate)"}

> <pdid>

> <targets>
{P2Y Receptor}

> <classes>
{GPCR/G Protein}

> <pubchem_cids>
.

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  1  0            999 V2000
    2.5983   -3.0004    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0  2  0  0  0
   -3.8995   -0.7554    0.0000 C   0  0
   -5.1983   -1.5058    0.0000 F   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0983    0.7368    0.0000 Cl  0  0
   -7.8029    2.9887    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11597

> <plate>
PLATE 009

> <well>
A7

> <supplier_cmpd_name>
Florfenicol

> <ctcr_id>
3346

> <supplier_cmpd_id>
T0454L

> <smiles>
C[S](=O)(=O)c1ccc(cc1)C(O)[C@H](CF)NC(=O)C(Cl)Cl

> <pd_targets>
{CYP3A4,LMNA,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Epigenetic regulator","Cytochrome P450",Reader,"Cytochrome P450 family 3",Bromodomain,"Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Metabolism of lipids",Mitotic,"Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Biosy
nthesis of maresins","Mitotic Anaphase","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{SR-05000001818,SR05000001818,CHEBI:95150,HMS2093J18,CCG-213585,CCG213585,SBI-0206883.P001,SBI0206883.P001,AB01563337_01,AB0156333701,AB01563337-01,"AB01563337 01",SR-05000001818-1,SR050000018181,SR-0
5000001818-3,SR050000018183,BRD-A30886737-001-01-1,BRDA30886737001011,Q27166943,1505978,FLORFENICOL}

> <pdid>
PD000246

> <targets>
{Antibiotic,Bacterial}

> <classes>
{antibacterial,Anti-infection}

> <pubchem_cids>
{45114154}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.6608   -1.8315    0.0000 O   0  0
   -5.1250   -4.3735    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 10 15  1  0
 15  7  2  0
 15 16  1  0
 16  2  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11598

> <plate>
PLATE 009

> <well>
A8

> <supplier_cmpd_name>
Theophylline-7-acetic acid

> <ctcr_id>
2112

> <supplier_cmpd_id>
T2205

> <smiles>
CN1C(=O)N(C)c2ncn(CC(O)=O)c2C1=O

> <pd_targets>
{ADORA2B}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Adenosine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Adenosine receptors"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{ADORA1}

> <broad_moa>
{"adenosine receptor agonist"}

> <synonyms>
{652-37-9,652379,"652 37 9","Theophylline-7-acetic acid","Theophylline7acetic acid","Theophylline 7 acetic acid",Acephylline,"Theophyllineacetic acid","Theophyllin-7-ylacetic acid","Theophyllin7ylacet
ic acid","Theophyllin 7 ylacetic acid",7-(Carboxymethyl)theophylline,7(Carboxymethyl)theophylline,"7 (Carboxymethyl)theophylline","7-Theophyllinylacetic acid","7Theophyllinylacetic acid","7 Theophylli
nylacetic acid","7-Theophyllineacetic acid","7Theophyllineacetic acid","7 Theophyllineacetic acid",UNII-M494UE2YEP,UNIIM494UE2YEP,"UNII M494UE2YEP","NSC 52996",(1,3-Dimeth,3Dimeth,"3 Dimeth",T2205,Pre
stw-1507,Acefylline}

> <pdid>
PD000487

> <targets>
{Adenosine Receptor,Phosphodiesterase (PDE),Protein Arginine Deiminase}

> <classes>
{Epigenetics,GPCR/G Protein,Metabolic Enzyme/Protease}

> <pubchem_cids>
{69550}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 12  0  0  1  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0  1  0  0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0992    0.7496    0.0000 O   0  0
    7.7999   -1.5000    0.0000 N   0  0
    3.9031    2.2508    0.0000 C   0  0
    5.2032    2.9990    0.0000 O   0  0
    2.6053    3.0031    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  5 11  1  0
 11 12  2  0
 11 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11599

> <plate>
PLATE 009

> <well>
A9

> <supplier_cmpd_name>
Aceglutamide

> <ctcr_id>
11021

> <supplier_cmpd_id>
T0769

> <smiles>
CC(=O)N[C@@H](CCC(=O)N)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{N-Acetyl-L-glutamine,NAcetylLglutamine,Aceglutamide,2490-97-3,2490973,"L-Glutamine, N-acetyl-","LGlutamine, Nacetyl",N-Acetylglutamine,NAcetylglutamine,acetyl-l-glutamine,acetyllglutamine,"(S)-2-Acet
amido-5-amino-5-oxopentanoic acid","(S)2Acetamido5amino5oxopentanoic acid",35305-74-9,35305749,Nalpha-Acetyl-L-glutamine,NalphaAcetylLglutamine,Ac-Gln-OH,AcGlnOH,Acetylglutamine,"L-Glutamine, N2-acety
l-","LGlutamine, N2acetyl",N,T0769}

> <pdid>
PD001302

> <targets>
{N-acylamino acid racemase,Autophagy,Endogenous Metabolite}

> <classes>
{Others,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{182230}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 N   0  0
   -1.3032    3.7490    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11600

> <plate>
PLATE 009

> <well>
A10

> <supplier_cmpd_name>
Ethinamide

> <ctcr_id>
4730

> <supplier_cmpd_id>
T1165

> <smiles>
CCc1cc(ccn1)C(N)=S

> <pd_targets>
{POLB,CYP1A2,INHA,KATG}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450",Oxidoreductase,"Cytochrome P450 family 1","Cytochrome P450 family 1A","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP1 family"}

> <pathway_reactome>
{"DNA Repair",Metabolism,Disease,"Base Excision Repair","Biological oxidations","Infectious disease","Resolution of Abasic Sites (AP sites)","Phase I - Functionalization of compounds","Infection with 
Mycobacterium tuberculosis","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Cytochrome P450 - arranged by substrate type","Latent infection - Other responses of Mtb to 
phagocytosis","PCNA-Dependent Long Patch Base Excision Repair",Xenobiotics,"Tolerance of reactive oxygen produced by macrophages","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{}

> <broad_moa>
{"mycolic synthesis inhibitor"}

> <synonyms>
{536-33-4,536334,2-ethylpyridine-4-carbothioamide,2ethylpyridine4carbothioamide,Ethioniamide,Ethyonomide,Amidazine,Ethinamide,Etionamid,Etioniamid,Thioamide,Trecator,Ethylisothiamide,2-Ethylthioisonic
otinamide,2Ethylthioisonicotinamide,Trecator-SC,TrecatorSC,"4-Pyridinecarbothioamide, 2-ethyl-","4Pyridinecarbothioamide, 2ethyl",Amidazin,T1165,SAM002554899,1500292,Prestw-526,CPD001370750,ETHIONAMID
E,Ethionamide}

> <pdid>
PD002335

> <targets>
{Antibiotic,Bacterial}

> <classes>
{tuberculostatic,antibacterial,Anti-infection}

> <pubchem_cids>
{2761171}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 34  0  0  1  0            999 V2000
    1.9438   -6.2113    0.0000 C   0  0
    0.7315   -5.3280    0.0000 C   0  0
   -0.6572   -5.8951    0.0000 C   0  0
    2.0426   -4.5993    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -0.3667   -4.3062    0.0000 O   0  0
   -1.1988   -2.7813    0.0000 C   0  0
   -2.1035   -3.9778    0.0000 O   0  0
   -1.7835   -1.3990    0.0000 C   0  0
   -3.2720   -1.2134    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  1
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  3
 16 17  1  0
 17 11  1  0
 17 18  1  6
 19 17  1  6
 19  8  1  0
 19 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  1  0
 23  7  1  0
 23 24  1  6
 23 25  1  0
 25  5  1  0
 25 26  1  0
 26  2  1  0
 25 27  1  6
 27 28  2  0
 27 29  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11601

> <plate>
PLATE 009

> <well>
A11

> <supplier_cmpd_name>
Desonide

> <ctcr_id>
7389

> <supplier_cmpd_id>
T1168

> <smiles>
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

> <pd_targets>
{NR3C1}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","FOXO-mediated transcription of oxidative stress","metabolic and neur
onal genes"}

> <broad_targets>
{NR3C1,PLA2G1B}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{DESONIDE,Locapred,638-94-8,638948,DesOwen,Topifug,Prednacinolone,Desonate,Desonida,Desonidum,Tridesilon,Apolar,Steroderm,Sterax,D-2083,D2083,"desfluorotriamcinolone acetonide",UNII-J280872D1O,UNIIJ28
0872D1O,"16alpha-hydroxyprednisole-16,17-acetonide","16alphahydroxyprednisole16,17acetonide",Tridesonit,Desilux,16alph,S1701,Desonide}

> <pdid>
PD000311

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{5311066}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
   11.7350    4.9525    0.0000 C   0  0
   10.3113    4.4800    0.0000 C   0  0
   10.0076    3.0102    0.0000 O   0  0
    8.5831    2.5375    0.0000 C   0  0
    7.4625    3.5345    0.0000 O   0  0
    8.2794    1.0677    0.0000 C   0  0
    6.8550    0.5950    0.0000 C   0  0
    5.7343    1.5920    0.0000 O   0  0
    6.5517   -0.8722    0.0000 N   0  0
    7.5554   -1.9869    0.0000 C   0  0
    6.8054   -3.2859    0.0000 C   0  0
    5.3382   -2.9741    0.0000 S   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  9  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11602

> <plate>
PLATE 009

> <well>
B2

> <supplier_cmpd_name>
Moguisteine

> <ctcr_id>
5137

> <supplier_cmpd_id>
T1169

> <smiles>
CCOC(=O)CC(=O)N1CCSC1COc2ccccc2OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"ATP-sensitive potassium channel inhibitor"}

> <synonyms>
{Moguisteine,119637-67-1,119637671,BBR-2173,BBR2173,"ethyl 3-(2-((2-methoxyphenoxy)methyl)thiazolidin-3-yl)-3-oxopropanoate","ethyl 3(2((2methoxyphenoxy)methyl)thiazolidin3yl)3oxopropanoate","ethyl 3-
(2-((2-methoxyphenoxy)methyl)-1,3-thiazolidin-3-yl)-3-oxopropanoate","ethyl 3(2((2methoxyphenoxy)methyl)1,3thiazolidin3yl)3oxopropanoate","Moguisteine (INN)",Moguisteina,Moguisteinum,"Moguisteinum (IN
N-L","Moguisteinum (INNL",T1169,S3104}

> <pdid>
PD001696

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{65935}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    9.4554   -1.3402    0.0000 Cl  0  0
    6.9546   -4.2653    0.0000 C   0  0
    5.4929   -3.9285    0.0000 N   0  0
    4.4707   -5.0263    0.0000 C   0  0
    5.0525   -2.4938    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    0.7452   -1.5536    0.0000 C   0  0
    1.4899   -2.8569    0.0000 C   0  0
    0.7346   -4.1529    0.0000 C   0  0
   -0.7654   -4.1467    0.0000 C   0  0
   -1.5101   -2.8447    0.0000 C   0  0
   -0.7548   -1.5474    0.0000 C   0  0
   -1.6852   -0.3709    0.0000 C   0  0
   -1.3455    1.0901    0.0000 O   0  0
    0.0086    1.7354    0.0000 C   0  0
   -0.0968    3.2328    0.0000 C   0  0
    1.1460    4.0727    0.0000 C   0  0
    2.4948    3.4164    0.0000 C   0  0
    3.7400    4.2542    0.0000 C   0  0
    5.0886    3.5956    0.0000 C   0  0
    5.1920    2.0992    0.0000 O   0  0
    6.3331    4.4329    0.0000 O   0  0
    2.6008    1.9201    0.0000 C   0  0
    1.3574    1.0791    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 20 25  1  0
 25 26  2  0
 26  8  1  0
 26 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11603

> <plate>
PLATE 009

> <well>
B3

> <supplier_cmpd_name>
Olopatadine hydrochloride

> <ctcr_id>
7838

> <supplier_cmpd_id>
T1170

> <smiles>
Cl.CN(C)CC\C=C\1c2ccccc2COc3ccc(CC(O)=O)cc13

> <pd_targets>
{HRH1,HRH2,HRH3,S100A1,S100A12,S100B,S100A13,S100A2,LMNA}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Histamine receptor","Other nuclear protein"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Histamine receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System","Signaling by GPCR","Infectious disease","Innate Immune System","GPCR ligand binding","Leishmania infection","Toll-like Receptor Cascades","Class A/1 (Rh
odopsin-like receptors)","Leishmania parasite growth and survival","Regulation of TLR by endogenous ligand","Toll Like Receptor 5 (TLR5) Cascade","Amine ligand-binding receptors","Anti-inflammatory re
sponse favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","Histamine receptors","ADORA2B mediated anti-inflammatory cytokines production","TAK1 activates NFkB by pho
sphorylation and activation of IKKs complex","Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) 
Reformation"}

> <broad_targets>
{HRH1,S100A1,S100A12,S100A13,S100A2,S100B}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{SCHEMBL122589,AKOS025401378,AC-1339,AC1339,SW197771-3,SW1977713,A807652,T1170,S2494,"Olopatadine hydrochloride","Olopatadine HCl"}

> <pdid>
PD009730

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{21893738}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 C   0  0  2  0  0  0
    1.0956    4.0166    0.0000 C   0  0
    0.4767    5.3830    0.0000 C   0  0
   -1.0140    5.2166    0.0000 C   0  0  2  0  0  0
   -1.9861    4.9820    0.0000 O   0  0
   -0.5491    6.6300    0.0000 C   0  0
   -1.5661    7.7325    0.0000 O   0  0
    0.9150    6.9601    0.0000 C   0  0
    1.3618    8.3920    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0  2  0  0  0
   -2.1132    4.3307    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
  8 14  1  0
 14  5  1  0
 14 15  1  1
 14 16  1  0
 16 17  1  0
 17 18  1  1
 19 17  1  1
 19  4  1  0
 19 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  3
 27  2  1  0
 27 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11604

> <plate>
PLATE 009

> <well>
B4

> <supplier_cmpd_name>
Methylprednisolone

> <ctcr_id>
4741

> <supplier_cmpd_id>
T1171

> <smiles>
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14

> <pd_targets>
{NS1,AR,ABCB11,NR3C1,TRPC5,HIF1A,NR1I2,ABCC4,ANXA1,HSD17B10,CYP3A4,ALDH1A1}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor",Transporter,"Ion channel",Enzyme,"Nuclear receptor","Primary active transporter","Voltage-gated ion channel","Other ion channel",Oxidoreductase,"Cytochro
me P450","Nuclear hormone receptor subfamily 3","ATP-binding cassette","Transient receptor potential channel","Nuclear hormone receptor subfamily 1",Annexin,"Cytochrome P450 family 3","Nuclear hormone
 receptor subfamily 3 group C","ABCB subfamily","Nuclear hormone receptor subfamily 1 group I","ABCC subfamily","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 3 group C member 4","Nuc
lear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"Nuclear hormone receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","Steroid hormone receptors","ABCB su
bfamily","Transient Receptor Potential channels","1I. Vitamin D receptor-like receptors","ABCC subfamily","CYP3 family","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Developmental Biology","Cellular responses to external stimuli","Metabolism of proteins",Hemostasis,"Signal Transduction","RNA Polymerase II Transcriptio
n","Metabolism of lipids","Nervous system development","Cellular responses to stress","Post-translational protein modification","Platelet activation","signaling and aggregation","Signaling by GPCR","M
etabolism of amino acids and derivatives","Biological oxidations","Generic Transcription Pathway","Metabolism of steroids","Axon guidance","Cellular response to hypoxia",SUMOylation,"Response to eleva
ted platelet cytosolic Ca2+","GPCR ligand binding","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Transc
riptional regulation by RUNX2","Bile acid and bile salt metabolism","FOXO-mediated transcription","Netrin-1 signaling","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","SUMO 
E3 ligases SUMOylate target proteins","Platelet degranulation","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","RUNX2 regulates bone development","Synthes
is of bile acids and bile salts","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Role of second messengers in netrin-1 signaling","SUMOylation of intracellular recept
ors","Peptide ligand-binding receptors","Biosynthesis of maresins","RUNX2 regulates osteoblast differentiation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Formyl peptide r
eceptors bind formyl peptides and many other ligands","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{methylprednisolone,83-43-2,83432,Medrol,Medrone,Metilprednisolone,Urbason,6alpha-Methylprednisolone,6alphaMethylprednisolone,Metilbetasone,Medrate,Dopomedrol,Promacortine,Besonia,Medesone,Mesopren,Me
tastab,Metrisone,Moderin,Noretona,Solomet,Urbasone,Wyacort,Methylprednisol,SAM002589984,Prestw-279,CPD000058330,"Methylprednisolone, 6-alpha"}

> <pdid>
PD001857

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6741}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9986    0.0000 C   0  0
   -2.6056    4.4986    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 Cl  0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -2.5923   -1.5001    0.0000 Cl  0  0
   -7.7890   -1.5185    0.0000 N   0  0
   -7.7816   -3.0185    0.0000 N   0  0
   -9.0768   -3.7750    0.0000 C   0  0
  -10.3796   -3.0316    0.0000 C   0  0
  -11.6749   -3.7882    0.0000 O   0  0
  -10.3872   -1.5316    0.0000 N   0  0
   -9.0920   -0.7751    0.0000 C   0  0
   -9.0996    0.7249    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  3  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 11  1  0
 17 18  1  0
 15 19  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 19  1  0
 25 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11605

> <plate>
PLATE 009

> <well>
B5

> <supplier_cmpd_name>
Diclazuril

> <ctcr_id>
5367

> <supplier_cmpd_id>
T1172

> <smiles>
Clc1ccc(cc1)C(C#N)c2c(Cl)cc(cc2Cl)N3N=CC(=O)NC3=O

> <pd_targets>
{KMT2A,MEN1,NR1I2}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Reader,"Nuclear receptor",Bromodomain,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor sub
family 1 group I member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of intracellular receptors"}

> <broad_targets>
{}

> <broad_moa>
{"antiinfective drug"}

> <synonyms>
{RESTW139,AC-32608,AC32608,AB0105674,CAS-101831-37-2,CAS101831372,D5457,FT-0603078,FT0603078,SW199606-2,SW1996062,D03794,DICLAZURIL,101831-37-2,101831372,Clinacox,"R64,433",NCGC00168785-01,NCGC0016878
501,Diclazurilo,Diclazurilum,Vecoxan,DCZL,"Diclazurilum (Latin)","Diclazurilo (Spanish)",SR-05000001484,SR05000001484,"Diclazuril (US",T1172,Prestw-1394,Diclazuril}

> <pdid>
PD001667

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{456389}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
   -3.5185  -11.1877    0.0000 C   0  0
   -2.5084  -10.0787    0.0000 N   0  0
   -2.0255   -8.7984    0.0000 C   0  0
   -0.5982   -9.0676    0.0000 C   0  0
    0.3883   -9.9779    0.0000 C   0  0
   -1.1605   -9.4210    0.0000 C   0  0
   -1.6595   -7.7040    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -2.5188   -7.2317    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.9133   -4.8441    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  3
 21 16  1  0
 21 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11606

> <plate>
PLATE 009

> <well>
B6

> <supplier_cmpd_name>
Tropisetron hydrochloride

> <ctcr_id>
5794

> <supplier_cmpd_id>
T1173

> <smiles>
CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl

> <pd_targets>
{HTR3A,HTR3B,HTR4,CHRNA7,HTR3C,HTR3D,HTR3E,CHRNA4,CHRNB2,CHRM1,CYP3A4,CYP2D6,HTR1A,CHRNA1,CHRNB1,CHRND,CHRNG,MAPT,CHRM5,CHRNA3,SLC6A4,CHRNB4,GLRB,GLRA2,GLRA1,AMPC,SMN1,HTT,LMNA,RECQL,APEX1,MTOR}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor",Enzyme,"Other cytosolic protein",Transporter,"Epigenetic regulator","Unclassified protein","Other nuclear protein","Ligand-gated ion channel","Family A G protein-cou
pled receptor","Cytochrome P450","Electrochemical transporter",Hydrolase,Reader,Kinase,"5HT3 receptor","Small molecule receptor (family A GPCR)","Nicotinic acetylcholine receptor","Cytochrome P450 fam
ily 3","Cytochrome P450 family 2","SLC superfamily of solute carriers","Glycine receptor","Methyl-lysine/arginine binding protein","Protein Kinase","Monoamine receptor","Nicotinic acetylcholine recept
or alpha subunit","Cytochrome P450 family 3A","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","Tudor domain","Atypical protein kinase group","Serotonin receptor","Acetylcholine
 receptor","Cytochrome P450 3A4","Cytochrome P450 2D6","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Ion channels",Receptors,Enzymes,Transporters,"Ligand-gated ion channels","G protein-coupled receptors","Cytochrome P450","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)","5-HT<sub>3</sub>
 receptors","5-Hydroxytryptamine receptors","Nicotinic acetylcholine receptors","Acetylcholine receptors (muscarinic)","CYP3 family","CYP2 family: drug metabolising subset","SLC6 neurotransmitter tran
sporter family","Glycine receptors",Atypical,"Monoamine transporter subfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Neuronal System",Disease,"Signal Transduction",Metabolism,"Metabolism of RNA","Gene expression (Transcription)","Cell Cycle","DNA Repair","Transmission across Chemical Synapses","Infectious disease"
,"Signaling by GPCR","Metabolism of lipids","Biological oxidations","Metabolism of non-coding RNA","RNA Polymerase II Transcription",Mitotic,"Base Excision Repair","Neurotransmitter receptors and post
synaptic signal transmission","Leishmania infection","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Neurotransmitter clea
rance","snRNP Assembly","Generic Transcription Pathway","M Phase","Resolution of Abasic Sites (AP sites)","Leishmania parasite growth and survival","Acetylcholine binding and downstream events","Class
 A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events","Serotonin clearance from the 
synaptic cleft","Transcriptional Regulation by MECP2","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Transcriptional Regulation by TP5
3","Anti-inflammatory response favouring Leishmania parasite infection","Postsynaptic nicotinic acetylcholine receptors","Amine ligand-binding receptors","Biosynthesis of maresins",Xenobiotics,"Post N
MDA receptor activation events","Regulation of MECP2 expression and activity","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","Regulation of TP53 Activity","ADORA2B mediated anti-i
nflammatory cytokines production","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","CYP2E1 reactions",
"Serotonin receptors","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Re
gulation of TP53 Degradation"}

> <broad_targets>
{GLRA1,GLRA2,GLRB,HTR3A,HTR4}

> <broad_moa>
{"serotonin receptor antagonist"}

> <synonyms>
{"Tropisetron hydrochloride","TROPISETRON HCl",105826-92-4,105826924,"Tropisetron (Hydrochloride)","Tropisetron monohydrochloride",UNII-A19338Q2YO,UNIIA19338Q2YO,CHEBI:77570,A19338Q2YO,"Navoban (TN)",
"3-Tropanylindole-3-carboxylate hydrochloride","3Tropanylindole3carboxylate hydrochloride",MLS001,T1173,SAM001246576,CPD000469156}

> <pdid>
PD013759

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{656664}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    7.7998   -2.9895    0.0000 C   0  0
    6.5010   -3.7399    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Br  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 11  1  0
 18 19  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11607

> <plate>
PLATE 009

> <well>
B7

> <supplier_cmpd_name>
Bromopride

> <ctcr_id>
2202

> <supplier_cmpd_id>
T1175

> <smiles>
CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC

> <pd_targets>
{CYP2D6,AMPC,CYP1A2,DRD2,RAB9A,HTR4,HTR3A,HTR3B,HTR2A,ADRA1A,ADRA1B,ADRA1D,DRD3,HTR2B,HTR2C,HTR3C,HTR3D,HTR3E,LMNA,ADRA2C,CHRM1,HTR6,ESR2,HTR1A,HTR1B,HTR1D,HTR1F,ADRA2A,ADRA2B,ALB,MPO,ALDH1A1,SLC22A1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrom
e P450 family 2D","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 2D6","Cytochrome P450 1A1","Dopamine receptor","Ion channel","Other nuclear protein","Transcription factor","Secrete
d protein",Transporter,"Ligand-gated ion channel","Nuclear receptor",Oxidoreductase,"Electrochemical transporter","5HT3 receptor","Nuclear hormone receptor subfamily 3","SLC superfamily of solute carr
iers","Nuclear hormone receptor subfamily 3 group A","SLC22 family of organic cation and anion transporters","Serotonin receptor","Adrenergic receptor","Acetylcholine receptor","Nuclear hormone recept
or subfamily 3 group A member 2"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP1 family","Dopamine receptors","Ion channels",Transporters,"Ligand-gated ion channels","N
uclear hormone receptors","1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","5-Hydroxytryptamine receptors","5-HT<sub>3</sub> receptors",Adrenoceptors,"Acetylcholine receptors (muscarinic
)","Steroid hormone receptors","SLC22 family of organic cation and anion transporters","3A. Estrogen receptors","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Biological oxidations","Signaling by GPCR","Phase I - Functionalization of compounds","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Class A/1
 (Rhodopsin-like receptors)",Xenobiotics,"Amine ligand-binding receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Dopamine receptors",Disease,"Cell Cycle
","Neuronal System","Immune System","Transport of small molecules","Signaling by Rho GTPases","Infectious disease",Mitotic,"Transmission across Chemical Synapses","Intracellular signaling by second me
ssengers","Metabolism of lipids","Innate Immune System","SLC-mediated transmembrane transport","Rho GTPase cycle","Leishmania infection","M Phase","Neurotransmitter receptors and postsynaptic signal t
ransmission","PIP3 activates AKT signaling","Metabolism of steroids","ROS and RNS production in phagocytes","Transport of bile salts and organic acids","metal ions and amine compounds","RHOBTB GTPase 
Cycle","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Negative regulation of the PI3K/AKT network","Bile acid and bile salt metabolism","Events associated with phagocytoly
tic activity of PMN cells","Ethanol oxidation","Organic cation/anion/zwitterion transport","RHOBTB3 ATPase cycle","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase
",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Recycling of bile acids and salts","Organic cation transport","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors","Nucle
ar Envelope (NE) Reassembly",Adrenoceptors,"Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CHRM1,DRD2,HTR3A,HTR3B,HTR4}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{bromopride,4093-35-0,4093350,Artomey,Valopride,Bromoprida,Viaben,"VAL 13081",4-Amino-5-bromo-N-(2-(diethylamino)ethyl)-o-anisamide,4Amino5bromoN(2(diethylamino)ethyl)oanisamide,UNII-75473V2YZK,UNII75
473V2YZK,4-Amino-5-bromo-N-(2-(diethylamino)ethyl)-2-methoxybenzamide,4Amino5bromoN(2(diethylamino)ethyl)2methoxybenzamide,Emepride,75473V2YZK,NCGC00016646-02,NCGC0001664602,CAS-4093,CAS4093,T1175,T10
69,T4616,1503108,Prestw-704,Bromopride,"Metoclopramide hydrochloride",5-Chloro-2-methoxyprocainamide,BROMOPRIDE}

> <pdid>
PD001072

> <targets>
{}

> <classes>
{antiemetic}

> <pubchem_cids>
{2446}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 35  0  0  1  0            999 V2000
    2.5228   -3.0436    0.0000 C   0  0
    1.2626   -2.2300    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    2.5793    0.0316    0.0000 O   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -3.7124   -4.0030    0.0000 C   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -3.7125   -6.7424    0.0000 C   0  0
   -2.8308   -7.9559    0.0000 C   0  0
   -3.4409   -9.3262    0.0000 C   0  0
   -4.9332   -9.4862    0.0000 C   0  0
   -5.5417  -10.8581    0.0000 N   0  0
   -7.0331  -11.0180    0.0000 C   0  0
   -4.6579  -12.0701    0.0000 C   0  0
   -2.5592  -10.5397    0.0000 C   0  0
   -3.1693  -11.9101    0.0000 O   0  0
   -1.0674  -10.3829    0.0000 C   0  0
   -0.4573   -9.0126    0.0000 C   0  0
   -1.3390   -7.7991    0.0000 C   0  0
   -0.7289   -6.4288    0.0000 N   0  0
   -1.6105   -5.2165    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10  3  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 18 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
 27 17  1  0
 27 28  1  0
 28 29  2  0
 29 12  1  0
 29 15  1  0
 13 30  1  0
 30  9  1  0
 30 31  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11608

> <plate>
PLATE 009

> <well>
B8

> <supplier_cmpd_name>
Topotecan hydrochloride

> <ctcr_id>
6110

> <supplier_cmpd_id>
T1174

> <smiles>
CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O

> <pd_targets>
{CASP7,HIF1A,HBB,CASP1,LEF,LMNA,BRCA1,RORC,KEAP1,NFE2L2,TOP1,MAPT,GLF,KMT2A,MEN1,IMPA1,RMLC,LANA1,SLC22A2,SLC47A2,TOP2A,TOP2B,EPAS1,CYP3A4,SLC47A1,TOP1MT}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Secreted protein","Other nuclear protein","Other cytosolic protein","Epigenetic regulator",Transporter,Protease,"Nuclear receptor",Isomerase,Read
er,Hydrolase,"Electrochemical transporter","Cytochrome P450","Cysteine protease","Metallo protease","Nuclear hormone receptor subfamily 1",Bromodomain,"SLC superfamily of solute carriers","Cytochrome 
P450 family 3","Cysteine protease CD clan","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug
 and toxin extrusion transporters","Cytochrome P450 family 3A","Cysteine protease C14 family","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4
"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Peptidases and proteinases","Nuclear hormone receptors","DNA topoisomerases","Chromatin modifying enzymes","Inositol phosphate turnover","SLC superfamily of solute car
riers","Cytochrome P450","CD: Cysteine (C) Peptidases","1F. Retinoic acid-related orphans","2.1.1.43 Histone methyltransferases (HMTs)","Inositol monophosphatase","SLC22 family of organic cation and a
nion transporters","SLC47 family of multidrug and toxin extrusion transporters","CYP3 family","C14: Caspase","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Programmed Cell Death","Cellular responses to external stimuli","Immune System","Gene expression (Transcription)",Disease,"Cell Cycle","DNA Repair","Metabolism of proteins","Neuronal System",Metabol
ism,"Transport of small molecules",Apoptosis,"Cellular responses to stress","Innate Immune System","RNA Polymerase II Transcription","Infectious disease",Mitotic,"DNA Double-Strand Break Repair","Post
-translational protein modification","Transmission across Chemical Synapses","Inositol phosphate metabolism","SLC-mediated transmembrane transport","Metabolism of lipids","Intrinsic Pathway for Apopto
sis","Cellular response to hypoxia","Neutrophil degranulation","Generic Transcription Pathway","Uptake and actions of bacterial toxins","M Phase","Homology Directed Repair",SUMOylation,"Neurotransmitt
er receptors and postsynaptic signal transmission","Synthesis of IP2",IP,"and Ins in the cytosol","Transport of bile salts and organic acids","metal ions and amine compounds","Biosynthesis of speciali
zed proresolving mediators (SPMs)","Apoptotic factor-mediated response","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by TP53","Uptake and func
tion of anthrax toxins","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","SUMO E3 ligases SUMOylate 
target proteins","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX1","Organic cation/anion/zwitterion transport","Biosynthesis of DHA-derived SPMs","Cytochrome
 c-mediated apoptotic response","TP53 Regulates Transcription of Cell Death Genes","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cell Migration",
"SUMOylation of DNA replication proteins","Post NMDA receptor activation events","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Organic cation transport","Bio
synthesis of maresins","Activation of caspases through apoptosome-mediated cleavage","TP53 Regulates Transcription of Caspase Activators and Caspases","Nuclear Envelope (NE) Reassembly","Homologous DN
A Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pair
ing and strand exchange"}

> <broad_targets>
{TOP1,TOP1MT}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{RESTW119,"Topocecan free base",9-Dimethylaminomethyl-10-hydroxycamptothecin,9Dimethylaminomethyl10hydroxycamptothecin,topotecan,123948-87-8,123948878,Hycamtin,"Topotecan lactone",Hycamptamine,Topotec
ane,Topotecanum,"Topotecane (INN-French)","Topotecane (INNFrench)","Topotecanum (INN-Latin)","Topotecanum (INNLatin)",(S)-Topotecan,(S)Topotecan,UNII-7M7YKX2N15,UNII7M7YKX2N15,CHEMBL8,T1174,Prestw-119
6,"Topotecan hydrochloride",Topotecan}

> <pdid>
PD003417

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60700}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
   -1.3127   -5.2403    0.0000 C   0  0
   -1.3074   -3.7403    0.0000 C   0  0
   -2.6041   -2.9862    0.0000 O   0  0
   -0.0048   -2.9949    0.0000 S   0  0
    1.2925   -3.7494    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    6.4855   -8.2648    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    7.7816  -12.0187    0.0000 C   0  0
    9.0806  -12.7688    0.0000 C   0  0
   10.3797  -12.0188    0.0000 C   0  0
   10.3797  -10.5188    0.0000 C   0  0
    9.0807   -9.7688    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  6 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11609

> <plate>
PLATE 009

> <well>
B9

> <supplier_cmpd_name>
Racecadotril

> <ctcr_id>
1172

> <supplier_cmpd_id>
T1176

> <smiles>
CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2

> <pd_targets>
{ABCB11,ABCC3,CYP2C9,CYP2C19,CYP2D6,CYP3A4,CYP1A2}

> <pathway_gtopdb>
{Transporter,"Primary active transporter","ATP-binding cassette","ABCB subfamily","ABCC subfamily",Enzyme,"Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 famil
y 1","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 2C9","Cytochrome P450 2C19","Cytochrome P450 2D6","Cytochrome P450
 3A4","Cytochrome P450 1A1"}

> <pathway_chembl>
{Transporters,"ATP-binding cassette transporter family","ABCB subfamily","ABCC subfamily",Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset","CYP3 family","CYP1 family"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of steroids","Bile acid and bile salt metabolism","Synthesis of bile acids and bile salts","Recycling of bile acids and salts","Synthesis of bile acids a
nd bile salts via 7alpha-hydroxycholesterol","Biological oxidations","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Cytochrome P450 - arranged 
by substrate type","Biosynthesis of DHA-derived SPMs",Xenobiotics,"Biosynthesis of maresins","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkyla
ted by CYP1A2"}

> <broad_targets>
{MME}

> <broad_moa>
{"enkephalinase inhibitor"}

> <synonyms>
{Racecadotril,81110-73-8,81110738,Acetorphan,"Benzyl 2-(3-(acetylthio)-2-benzylpropanamido)acetate","Benzyl 2(3(acetylthio)2benzylpropanamido)acetate","S049; Sinorphan","Racecadotril (Acetorphan)","be
nzyl (3-(acetylthio)-2-benzylpropanoyl)glycinate","benzyl (3(acetylthio)2benzylpropanoyl)glycinate",MFCD00865520,Tiorfan,"benzyl 2-((2-(acetylsulfanylmethyl)-3-","benzyl 2((2(acetylsulfanylmethyl)3",T
1176,S2503,SAM001247060,Prestw-626,Racecadotril,CPD000449320}

> <pdid>
PD001681

> <targets>
{"Opioid Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{107751}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -2.1885    3.7539    0.0000 N   0  0
   -4.6581    2.9476    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  6 13  1  0
 13  2  1  0
 13 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11610

> <plate>
PLATE 009

> <well>
B10

> <supplier_cmpd_name>
Temozolomide

> <ctcr_id>
5602

> <supplier_cmpd_id>
T1178

> <smiles>
CN1N=Nc2n(cnc2C(N)=O)C1=O

> <pd_targets>
{KMT2A,MEN1}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{MGMT}

> <broad_moa>
{"DNA alkylating agent"}

> <synonyms>
{temozolomide,85622-93-1,85622931,Methazolastone,Temodal,Temodar,Temozolamide,"3-methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide","3methyl4oxo3,4dihydroimidazo(5,1d)(1,2,3,5)tet
razine8carboxamide","Temozolomidum (Latin)","Sch 52365","Temozolodida (Spanish)",Temozolomidum,"CCRG 81045",CCRG-81045,CCRG81045,T1178,362856,S1237,SAM001246636,Prestw-1183,"NSC 362856",Temozolomide,C
PD000466338}

> <pdid>
PD001314

> <targets>
{Apoptosis,Autophagy,DNA Alkylator/Crosslinker}

> <classes>
{Alkylating agent,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5394}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
   11.9444    0.1869    0.0000 O   0  0
    9.4444    0.1869    0.0000 Br  0  5
   -1.8948    4.3802    0.0000 C   0  0
   -2.9996    3.3656    0.0000 N   0  3
   -4.4042    3.8919    0.0000 C   0  0
   -2.9996    0.5981    0.0000 C   0  0
   -1.7408    0.1428    0.0000 C   0  0
   -0.5981    0.5356    0.0000 C   0  0
   -1.1338    1.6158    0.0000 C   0  0
   -2.4550    2.0265    0.0000 C   0  0
   -3.8209    1.2230    0.0000 C   0  0
   -5.2493    0.8035    0.0000 O   0  0
   -4.1780   -0.1875    0.0000 C   0  0
    0.6817   -0.2152    0.0000 O   0  0
    1.9863    0.5268    0.0000 C   0  0
    1.9956    2.0267    0.0000 O   0  0
    3.2816   -0.2313    0.0000 C   0  0
    3.2909    1.2687    0.0000 O   0  0
    4.5863    0.5106    0.0000 C   0  0
    5.9335   -0.1192    0.0000 C   0  0
    6.9444    0.9889    0.0000 C   0  0
    6.2029    2.2928    0.0000 C   0  0
    4.7337    1.9905    0.0000 S   0  0
    3.2723   -1.7320    0.0000 C   0  0
    4.4805   -2.5992    0.0000 C   0  0
    4.0082   -4.0229    0.0000 C   0  0
    2.5082   -4.0136    0.0000 C   0  0
    2.0535   -2.5842    0.0000 S   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  4  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  6  1  0
 13 11  1  0
  8 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 19  1  0
 17 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 24  1  0
M  CHG  2   2  -1   4   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11611

> <plate>
PLATE 009

> <well>
B11

> <supplier_cmpd_name>
Tiotropium bromide

> <ctcr_id>
4810

> <supplier_cmpd_id>
T1179

> <smiles>
O.[Br-].C[N+]1(C)C2CC(CC1C3OC23)OC(=O)C(O)(c4cccs4)c5cccs5

> <pd_targets>
{CHRM4,CHRM3,CHRM5,CHRM2,CHRM1,GPM3}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{Tiotropiumbromidehydrate,AKOS015967053,AC-2083,AC2083,T1179,S2547,"Tiotropium bromide","Tiotropium Bromide hydrate"}

> <pdid>
PD014401

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{21893851}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
   11.2236    1.4147    0.0000 C   0  0
   10.3140    0.2220    0.0000 C   0  0
    8.8253    0.4124    0.0000 N   0  0
    7.9141   -0.7791    0.0000 C   0  0
    6.4266   -0.5856    0.0000 C   0  0
    5.8502    0.7993    0.0000 N   0  0
    6.7616    1.9908    0.0000 C   0  0
    8.2491    1.7973    0.0000 C   0  0
    4.3623    0.9952    0.0000 C   0  0
    3.4492   -0.1949    0.0000 N   0  0
    1.9598    0.0000    0.0000 C   0  0
    1.3858    1.3858    0.0000 C   0  0
    0.0000    1.9598    0.0000 C   0  0
   -1.3858    1.3858    0.0000 C   0  0
   -1.9598    0.0000    0.0000 C   0  0
   -1.3858   -1.3858    0.0000 C   0  0
    0.0000   -1.9598    0.0000 C   0  0
    1.3858   -1.3858    0.0000 C   0  0
    2.3011    2.5768    0.0000 C   0  0
    3.7883    2.3810    0.0000 C   0  0
    1.7274    3.9635    0.0000 C   0  0
    0.2405    4.1619    0.0000 C   0  0
   -0.3312    5.5487    0.0000 C   0  0
    0.5840    6.7372    0.0000 C   0  0
    0.0123    8.1240    0.0000 F   0  0
    2.0708    6.5389    0.0000 C   0  0
    2.6425    5.1521    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 11  1  0
 12 19  1  0
 19 20  2  0
 20  9  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11612

> <plate>
PLATE 009

> <well>
C2

> <supplier_cmpd_name>
Blonanserin

> <ctcr_id>
11022

> <supplier_cmpd_id>
T1180

> <smiles>
CCN1CCN(CC1)c1nc2c(CCCCCC2)c(c1)c1ccc(F)cc1

> <pd_targets>
{DRD2,HTR2A,ADRA1A,HRH1,CHRM2,SIGMAR1,DRD3}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Dopamine receptor","Serotonin receptor","Adrenergic receptor","Histamine rece
ptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"Other protein targets","G protein-coupled receptors","Sigma receptors","Dopamine receptors","5-Hydroxytryptamine receptors",Adrenoceptors,"Histamine receptors","Acetylcholine receptors (mu
scarinic)"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by GPCR","Infectious disease","GPCR ligand binding","Leishmania infection","SARS-CoV Infections","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite g
rowth and survival","Potential therapeutics for SARS","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Dopamine receptors","Serotonin receptors",A
drenoceptors,"Histamine receptors","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{DRD2,HTR2A}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{Blonanserin,132810-10-7,132810107,Lonasen,AD-5423,AD5423,"AD 5423",UNII-AQ316B4F8C,UNIIAQ316B4F8C,"Blonanserin (Lonasen)",AQ316B4F8C,CHEMBL178803,"132810-10-7 (free base)","132810107 (free base)","Bl
onanserin (INN)",NCGC00183858-01,NCGC0018385801,1346599-86-7,1346599867,"Blonanserin (JAN/INN)",Blonanserin-d5,Blonanserind5,C23H30FN3,Blona,T1180}

> <pdid>
PD008998

> <targets>
{5-HT2,D2,5-HT Receptor,Adrenergic Receptor,Dopamine Receptor,Sigma Receptor}

> <classes>
{GPCR/G Protein,Neuroscience,Neuronal Signaling}

> <pubchem_cids>
{125564}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0875    3.7680    0.0000 F   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 O   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
  9 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11613

> <plate>
PLATE 009

> <well>
C3

> <supplier_cmpd_name>
Gefitinib

> <ctcr_id>
6466

> <supplier_cmpd_id>
T1181

> <smiles>
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4

> <pd_targets>
{FLT3,EGFR,ERBB2,MAPK9,LCK,SLK,STK10,SBK1,RIPK2,GAK,MKNK1,NLK,HCK,SIK2,MAPK4,PRKD2,PRKD3,LIMK1,PHKG1,TNIK,CAMK2G,KIT,EPHB1,TUBA1A,CSNK1E,STK17B,PIM1,PIM3,MAP4K5,ERBB3,ERBB4,CHEK2,MKNK2,LYN,MYLK2,SRC,S
TK17A,DMPK,IRAK4,AXL,BLK,BRAF,RPS6KA4,EPHA8,TXK,KDR,ABL1,IRAK1,MAP3K3,MAP3K2,MAPK10,MAPK14,HIPK4,ABL2,NUAK2,IRAK3,RET,BACE1,PIP4K2C,DCLK3,EPHA5,CIT,MINK1,CDK7,NORA,FLT4,MET,CAMK2D,PHKG2,ABCB11,LTK,MAP
T,FRK,EPHA6,STK36,EPHA1,MAPK6,MAP3K19,MAP2K5,EPHB4,CSNK1D,DAPK3,TNK2,EPHA3,FGR,PTK6,PRKD1,EPHB6,ULK3,MAP4K4,EPHA7,BRSK1,ABCG2,ABCC4}

> <pathway_gtopdb>
{Enzyme,"Structural protein","Unclassified protein",Transporter,"Other cytosolic protein",Kinase,Protease,Transferase,"Primary active transporter","Protein Kinase","Cysteine protease","Aspartic protea
se","ATP-binding cassette","TK protein kinase group","CMGC protein kinase group","STE protein kinase group","Other protein kinase group","TKL protein kinase group","CAMK protein kinase group","Cystein
e protease CA clan","CK1 protein kinase group","AGC protein kinase group","Aspartic protease AA clan","ABCB subfamily","ABCG subfamily","ABCC subfamily","Tyrosine protein kinase PDGFR family","Tyrosin
e protein kinase EGFR family","CMGC protein kinase MAPK family","Tyrosine protein kinase Src family","STE protein kinase STE20 family","Other protein kinase NKF1 family","TKL protein kinase RIPK famil
y","Other protein kinase NAK family","CAMK protein kinase MAPKAPK family","CAMK protein kinase CAMK1 family","CAMK protein kinase PKD family","TKL protein kinase LISK family","CAMK protein kinase PHk 
family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Eph family","Cysteine protease C1A family","CK1 protein kinase CK1 family","CAMK protein kinase DAPK family","CAMK protein kinase PI
M family","CAMK protein kinase RAD53 family","CAMK protein kinase MLCK family","AGC protein kinase DMPK family","TKL protein kinase IRAK family","Tyrosine protein kinase Axl family","TKL protein kinas
e RAF family","AGC protein kinase RSK family","Tyrosine protein kinase Tec family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Abl family","STE protein kinase STE11 family","CMGC p
rotein kinase DYRK family","Tyrosine protein kinase Ret family","Aspartic protease A1A subfamily","CAMK protein kinase DCAMK1 family","CMGC protein kinase CDK family","Tyrosine protein kinase Met fami
ly","Tyrosine protein kinase Alk family","Other protein kinase ULK family","STE protein kinase STE7 family","Tyrosine protein kinase Ack family","CMGC protein kinase JNK subfamily","STE protein kinase
 SLK subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase nmo subfamily","CAMK protein kinase QIK subfamily","CMGC protein kinase ERK3","TKL protein kinase LIMK subfamily","STE protein 
kinase MSN subfamily","STE protein kinase KHS subfamily","AGC protein kinase GEK subfamily","AGC protein kinase MSK subfamily","STE protein kinase MEKK2","CMGC protein kinase p38 subfamily","CMGC prot
ein kinase HIPK subfamily","CAMK protein kinase NuaK subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase CDK7 subfamily","CAMK protein kinase BRSK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)",Tubulins,"Peptidases and proteinases","ATP-binding cassette transporter family","Receptor kinases",
"CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CK1: Casein kinase 1","AGC: C
ontaining PKA",PKG,"PKC families","AA: Aspartic (A) Peptidases","Lipid modifying kinases","ABCB subfamily","ABCG subfamily","ABCC subfamily","TK: Tyrosine kinase","Mitogen-activated protein kinases (M
AP kinases)","STE20 family","Other protein kinases","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","CAMK-like (CAMKL) family","Protein kinase D (PKD) family","Phosphoryla
se kinase (PHK) family","CAMK2 family","Casein kinase 1 (CK1) family","Death-associated kinase (DAPK) family","PIM family","Myosin Light Chain Kinase (MLCK) family","DMPK family","RSK family","STE11 f
amily","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","A1: Pepsin","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","DCAMKL family","Cyclin-de
pendent kinase (CDK) family","STE7 family","Receptor tyrosine kinases (RTKs)","JNK subfamily","Non-receptor tyrosine kinases (nRTKs)","SLK subfamily","NKF1 family","Receptor interacting protein kinase
 (RIPK) family","Numb-associated kinase (NAK) family","MKN subfamily","nmo subfamily","QIK subfamily","ERK subfamily","LIM domain kinase (LISK) family","MSN subfamily","KHS subfamily","CHK1 subfamily"
,"GEK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","RAF family","MSK subfamily","p38 subfamily","HIPK subfamily","NuaK subfamily","Other DMPK family kinases","CDK7 subfamily","U
nc-51-like kinase (ULK) family","STE20 subfamily","BRSK subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family","LI
MK subfamily","Type XIII RTKs: Ephrin receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Tec family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor fam
ily","Abl family","Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Ack family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Immune System",Disease,"Vesicle-mediated transport",Metabolism,"Cellular responses to external stimuli","Neuronal System","Cell Cycle","Gene expression 
(Transcription)","Muscle contraction","Metabolism of proteins","Programmed Cell Death",Hemostasis,"Signaling by Receptor Tyrosine Kinases","Signaling by GPCR","Nervous system development","Innate Immu
ne System","Infectious disease","Membrane Trafficking","Signaling by WNT","MAPK family signaling cascades","Metabolism of lipids","Metabolism of carbohydrates","Cellular responses to stress","Transmis
sion across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"RNA Polymerase II Transcription","Cardiac conduction","Cytokine Signaling in 
Immune system","Amyloid fiber formation","Signaling by Rho GTPases","Intracellular signaling by second messengers",Apoptosis,"Signaling by Hedgehog","Abacavir transport and metabolism","Platelet activ
ation","signaling and aggregation","Signaling by Insulin receptor","GPCR downstream signalling","Axon guidance","Toll-like Receptor Cascades","HIV Infection","Neutrophil degranulation","trans-Golgi Ne
twork Vesicle Budding","Signaling by FGFR","Beta-catenin independent WNT signaling","MAPK6/MAPK4 signaling","Sphingolipid metabolism","Glycogen metabolism","Cellular Senescence","Neurotransmitter rece
ptors and postsynaptic signal transmission","Signaling by KIT in disease","Mitotic G2-G2/M phases","FLT3 signaling in disease","Generic Transcription Pathway","Leishmania infection","Signaling by NTRK
s","Ion homeostasis","Signaling by VEGF","Fc epsilon receptor (FCERI) signaling","Signaling by Interleukins","RHO GTPase Effectors","Metabolism of steroids","PIP3 activates AKT signaling","Caspase act
ivation via extrinsic apoptotic signalling pathway","Mitotic G1 phase and G1/S transition","Hedgehog 'on' state","Abacavir transmembrane transport","Response to elevated platelet cytosolic Ca2+","Insu
lin receptor signalling cascade","G alpha (q) signalling events","Semaphorin interactions","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Golgi Associated Vesicle Biogenesis
","Signaling by FGFR4","Ca2+ pathway","Sphingolipid de novo biosynthesis","Glycogen breakdown (glycogenolysis)","Oxidative Stress Induced Senescence","Activation of NMDA receptors and postsynaptic eve
nts","Drug resistance of KIT mutants","EPH-Ephrin signaling","G2/M Transition","Signaling by FLT3 ITD and TKD mutants","Transcriptional Regulation by TP53","Leishmania parasite growth and survival","S
ignaling by NTRK1 (TRKA)","Toll Like Receptor 2 (TLR2) Cascade","VEGFA-VEGFR2 Pathway","Transcriptional regulation by RUNX1","L1CAM interactions","FCERI mediated Ca+2 mobilization","Parasite infection
","Interleukin-1 family signaling","Signaling by ROBO receptors","RET signaling","RHO GTPases activate CIT","HIV Life Cycle","VEGF ligand-receptor interactions","Bile acid and bile salt metabolism","P
TEN Regulation","Caspase activation via Dependence Receptors in the absence of ligand","Negative regulation of the PI3K/AKT network","G1 Phase","Platelet degranulation","IRS-mediated signalling","Gast
rin-CREB signalling pathway via PKC and MAPK","Sema4D in semaphorin signaling","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Negative re
gulation of FGFR4 signaling","Post NMDA receptor activation events","Dasatinib-resistant KIT mutants","EPHB-mediated forward signaling","Centrosome maturation","STAT5 activation downstream of FLT3 ITD
 mutants","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","Signalling to ERKs","Toll Like Receptor TLR6:TLR2 Cascade","RUNX1 regulates transcription 
of genes involved in BCR signaling","Recycling pathway of L1","EPHA-mediated growth cone collapse","VEGFR2 mediated cell proliferation","Leishmania phagocytosis","Interleukin-1 signaling","Role of ABL
 in ROBO-SLIT signaling","Late Phase of HIV Life Cycle","VEGF binds to VEGFR leading to receptor dimerization","Synthesis of bile acids and bile salts","Regulation of PTEN stability and activity","Sig
nalling to ERK5",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Cyclin D associated events in G1","PI3K Cascade","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone col
lapse","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Spry regulation of FGF signaling","Nef and signal transduction","CREB1 
phosphorylation through NMDA receptor-mediated activation of RAS signaling","Loss of proteins required for interphase microtubule organization from the centrosome","Regulation of TP53 Expression and D
egradation","FCGR3A-mediated IL10 synthesis","Signalling to RAS","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Prolonged ERK activation events","Long-term potentiation","FCGR3A-mediated pha
gocytosis","Regulation of TP53 Activity through Acetylation","Transcription of the HIV genome","Sema4D mediated inhibition of cell attachment and migration","Synthesis of bile acids and bile salts via
 7alpha-hydroxycholesterol","Activation of AMPK downstream of NMDARs","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","activated TAK1 mediates p38 MAPK activa
tion","Ras activation upon Ca2+ influx through NMDA receptor","Loss of Nlp from mitotic centrosomes","Regulation of TP53 Degradation","p38MAPK events","ARMS-mediated activation","PI5P Regulates TP53 A
cetylation","HIV Transcription Elongation","Activation of the AP-1 family of transcription factors","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing 
HIV-1 Tat"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{15215-EP2298768A1,15215EP2298768A1,Gefitinib,184475-35-2,184475352,Iressa,ZD1839,Irressat,"gefitinib (zd1839)","ZD 1839",ZD-1839,UNII-S65743JHBS,UNIIS65743JHBS,4-(3'-Chloro-4'-fluoroanilino)-7-methox
y-6-(3-morpholinopropoxy)quinazoline,4(3'Chloro4'fluoroanilino)7methoxy6(3morpholinopropoxy)quinazoline,MFCD04307832,CHEMBL939,S65743JHBS,CHEBI:49668,NC,T1181,715055,S1025,3000,Prestw-1270,"NSC 715055
",gefitinib,Gefitinib(Iressa),"Gefitinib (ZD1839)",GEFITINIB}

> <pdid>
PD003385

> <targets>
{EGFR(HER),EGFR}

> <classes>
{"Tyrosine kinase inhibitor","Protein Tyrosine Kinase"}

> <pubchem_cids>
{123631}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
   11.7214   -8.3312    0.0000 Cl  0  0
   10.6047   -7.3297    0.0000 C   0  0
    9.1381   -7.6443    0.0000 S   0  0
    8.4074   -6.3490    0.0000 C   0  0
    9.3872   -5.2301    0.0000 C   0  0
   10.7587   -5.8376    0.0000 C   0  0
    6.9148   -6.1919    0.0000 C   0  0
    6.0333   -7.4056    0.0000 O   0  0
    6.3037   -4.8211    0.0000 N   0  0
    4.8111   -4.6641    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 O   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3034    3.7525    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  2  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 11  1  0
 13 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 28 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11614

> <plate>
PLATE 009

> <well>
C4

> <supplier_cmpd_name>
Rivaroxaban

> <ctcr_id>
1853

> <supplier_cmpd_id>
T1184

> <smiles>
Clc1sc(cc1)C(=O)NCC2CN(C(=O)O2)c3ccc(cc3)N4CCOCC4=O

> <pd_targets>
{F10,ST14}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease PA clan","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PA: Serine (S) Peptidases","S1: Chymotrypsin"}

> <pathway_reactome>
{Disease,"Developmental Biology","Diseases of hemostasis",Keratinization,"Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Formation of the cornified envelope","Defective
 factor IX causes hemophilia B","Defective F9 variant does not activate FX"}

> <broad_targets>
{F10}

> <broad_moa>
{"coagulation factor inhibitor"}

> <synonyms>
{482306-32-1,482306321,Rivaroxaban-d4,Rivaroxaband4,"Rivaroxaban (Xarelto)",R-Rivaroxaban,RRivaroxaban,DSSTox_CID_31512,DSSToxCID31512,DSSTox-CID-31512,"DSSTox CID 31512",DSSTox_RID_97397,DSSToxRID973
97,DSSTox-RID-97397,"DSSTox RID 97397",DSSTox_GSID_57723,DSSToxGSID57723,DSSTox-GSID-57723,"DSSTox GSID 57723",SCHEMBL77766,cc-309,cc309,THI092,CHEMBL3183768,DTXSID3057723,DTXSID90424135,HMS3651D14,HM
S3750A17,BCP00165,Tox21_113938,Tox21113938,Tox21-113938,"Tox21 113938",ANW-43516,ANW43516,CR0024,s,T1184,S3002,Rivaroxaban}

> <pdid>
PD004365

> <targets>
{Factor Xa}

> <classes>
{Metabolism,Metabolic Enzyme/Protease}

> <pubchem_cids>
{6433119}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    9.5862   -3.2909    0.0000 C   0  0
    8.1609   -2.8234    0.0000 C   0  0
    7.8525   -1.3573    0.0000 N   0  0
    8.8523   -0.2390    0.0000 C   0  0
    8.0978    1.0574    0.0000 C   0  0
    6.6317    0.7404    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
    0.0000    3.0008    0.0000 S   0  0
   -1.2993    3.7504    0.0000 N   0  0
    1.2985    3.7517    0.0000 O   0  0
   -0.0007    4.5008    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 14 20  1  0
 20 21  1  0
 20 22  2  0
 20 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11615

> <plate>
PLATE 009

> <well>
C5

> <supplier_cmpd_name>
Sulpiride

> <ctcr_id>
2109

> <supplier_cmpd_id>
T1201

> <smiles>
CCN1CCCC1CNC(=O)c2cc(ccc2OC)[S](N)(=O)=O

> <pd_targets>
{CA9,DRD2,CYP1A2,CYP2D6,DRD4,DRD3,CA2,CA1,CYNT,NCE103,1272966,DRD1,DRD5,CA12,CA5A,BLM,CA7,CA3,CA6,CA15,MAPT,CA4,MTCA1,CA5B,MTCA2,ADRA2A,HTR2A,HTR2B,HTR2C,RORC,LMNA,MPO,TSHR,ADRA1A,ADRA1B,ADRA1D}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein",Lyase,"Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Cytochrome P45
0 family 2","Monoamine receptor","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Dopamine receptor","Cytochrome P450 1A1","Cytochrome P450 2D6","Adrenergic receptor","Transcription factor","O
ther nuclear protein","Nuclear receptor",Oxidoreductase,"Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Glycohormone receptor"
,"Serotonin receptor","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Carbonic anhydrases","G protein-coupled receptors","Cytochrome P450","Dopamine receptors","CYP1 family","CYP2 family: drug metabolising subset",Adrenoceptors,"Nuclear hormone recep
tors","1.-.-.- Oxidoreductases","1F. Retinoic acid-related orphans","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Signal Transduction",Metabolism,"Transport of small molecules","Immune System","DNA Repair","Neuronal System","Cellular responses to stress","Signaling by GP
CR","Biological oxidations","O2/CO2 exchange in erythrocytes","Cytokine Signaling in Immune system","Reversible hydration of carbon dioxide","DNA Double-Strand Break Repair","Transmission across Chemi
cal Synapses","Cellular response to hypoxia","GPCR ligand binding","Phase I - Functionalization of compounds","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins","Homo
logy Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Regulation of gene expression by Hypoxia-inducible Factor","Class A/1 (Rhodopsin-like receptors)","Cytochrome P
450 - arranged by substrate type","Interleukin-12 family signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events"
,"Amine ligand-binding receptors",Xenobiotics,"Interleukin-12 signaling","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events","Dopamine receptors","Aromatic amines can b
e N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Homologous DNA Pairing and Strand Exchange","Activ
ation of AMPK downstream of NMDARs",Adrenoceptors,"Presynaptic phase of homologous DNA pairing and strand exchange","Gene expression (Transcription)","Cell Cycle",Disease,"RNA Polymerase II Transcript
ion",Mitotic,"Innate Immune System","Infectious disease","Generic Transcription Pathway","M Phase","ROS and RNS production in phagocytes","Leishmania infection","Transcriptional regulation by RUNX3","
Mitotic Metaphase and Anaphase","Events associated with phagocytolytic activity of PMN cells","Leishmania parasite growth and survival","RUNX3 Regulates Immune Response and Cell Migration","Mitotic An
aphase","Anti-inflammatory response favouring Leishmania parasite infection","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelop
e (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{RESTW5,sulpiride,15676-16-1,15676161,Sulpyrid,Sulpirid,Aiglonyl,Dolmatil,Dogmatil,(+/-)-Sulpiride,(+/)Sulpiride,Dobren,Guastil,(RS)-(+/-)-sulpiride,(RS)(+/)sulpiride,Dogmatyl,Mirbanil,Misulvan,Sursum
id,Abilit,Eglonyl,Meresa,Miradol,Neogama,Omperan,Splotin,Coolspan,Pyrkappl,Sernevin,N-((1-ethy,N((1ethy,T1211,T1201,Prestw-56,Levosulpiride,Sulpiride}

> <pdid>
PD000494

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5355}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8190    4.6599    0.0000 O   0  0
   -4.9546    1.9903    0.0000 O   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -1.6193    3.9804    0.0000 C   0  0
   -0.1673    3.6256    0.0000 C   0  0
    0.8689    4.7101    0.0000 C   0  0
    0.4478    6.1498    0.0000 C   0  0
   -1.0096    6.5049    0.0000 C   0  0
   -2.0458    5.4204    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 12 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11616

> <plate>
PLATE 009

> <well>
C6

> <supplier_cmpd_name>
Rofecoxib

> <ctcr_id>
3968

> <supplier_cmpd_id>
T1185

> <smiles>
C[S](=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3

> <pd_targets>
{PTGS2,PTGS1,ALDH1A1,MT-CO2,ABCB11,PTGER2,PTGER3,IMPA1,ELN}

> <pathway_gtopdb>
{Enzyme,Transporter,"Membrane receptor","Structural protein",Oxidoreductase,"Primary active transporter",Protease,"Family A G protein-coupled receptor",Hydrolase,"Oxidoreduction-driven transporters","
Cysteine protease","ATP-binding cassette","Small molecule receptor (family A GPCR)","Cysteine protease CA clan","ABCB subfamily","Lipid-like ligand receptor (family A GPCR)","Cysteine protease C1A fam
ily","Prostanoid receptor"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Eicosanoid turnover","ATP-binding cassette transporter family","G protein-coupled receptors","Inositol phosphate turnover",Cyclooxygenase,"ABCB subfamily","Prostanoid 
receptors","Inositol monophosphatase"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)",Disease,"Signal Transduction","Extracellular matrix organization","Metabolism of lipids","Biological oxidations","RNA Polymerase II Transcription","Infect
ious disease","Signaling by GPCR","Inositol phosphate metabolism","Elastic fibre formation","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism","Phase I - Functionaliza
tion of compounds","Generic Transcription Pathway","Metabolism of steroids","Leishmania infection","GPCR ligand binding","Synthesis of IP2",IP,"and Ins in the cytosol","Molecules associated with elast
ic fibres","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Ethanol oxidation","Transcriptional Regulation by TP53","Bile acid and bile salt metabolism","Leishmania parasite growth an
d survival","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","TP53 Regulates Metabolic Genes","Synthesis of bile acids and 
bile salts","Anti-inflammatory response favouring Leishmania parasite infection","Eicosanoid ligand-binding receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","ADORA2B m
ediated anti-inflammatory cytokines production","Prostanoid ligand receptors"}

> <broad_targets>
{ELN,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{rofecoxib,162011-90-7,162011907,Vioxx,Ceoxx,"MK 966",4-(4-(Methylsulfonyl)phenyl)-3-phenylfuran-2(5H)-one,4(4(Methylsulfonyl)phenyl)3phenylfuran2(5H)one,4-(4-(methylsulfonyl)phenyl)-3-phenylfuran-2(5
H)-one,4(4(methylsulfonyl)phenyl)3phenylfuran2(5H)one,MK-966,MK966,"MK 0966",MK-0966,MK0966,4-(4-(methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone,4(4(methylsulfonyl)phenyl)3phenyl2(5H)furanone,UNII-0QT
W8Z,UNII0QTW8Z,T1185,SAM001246617,1504235,Prestw-1336,Rofecoxib,CPD000466331,ROFECOXIB}

> <pdid>
PD002879

> <targets>
{COX2}

> <classes>
{"COX2 inhibitor",antiinflammatory,antiarthritic}

> <pubchem_cids>
{5090}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -6.2524    0.2436    0.0000 C   0  0
   -5.4979   -1.0529    0.0000 N   0  0
   -4.0317   -0.7359    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
   -2.6047    7.4994    0.0000 C   0  0
   -3.9028    8.2510    0.0000 C   0  0
   -3.9010    9.7510    0.0000 C   0  0
   -2.6011   10.4995    0.0000 C   0  0
   -1.3029    9.7479    0.0000 C   0  0
   -1.3048    8.2479    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
  7 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11617

> <plate>
PLATE 009

> <well>
C7

> <supplier_cmpd_name>
Bifonazole

> <ctcr_id>
3321

> <supplier_cmpd_id>
T1187

> <smiles>
c1ccc(cc1)C(n2ccnc2)c3ccc(cc3)c4ccccc4

> <pd_targets>
{ALD,CYP17A1,MAPT,RORC,FFP,MAPK1,HIF1A,USP2,NPSR1,PLA2G1B,HPGD,ATG4B,CYP3A4,KMT2A,MEN1,HSP90AA1,IDO1,STX1,ALDH1A1,TP53,CYP51A1,ABCB11,ERG11}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Transcription factor","Membrane receptor","Unclassified protein","Epigenetic regulator",Transporter,"Cytochrome P450","Nuclear receptor",Transferase,Kinase,Protease,
"Family A G protein-coupled receptor",Hydrolase,Reader,Oxidoreductase,"Primary active transporter","Cytochrome P450 family 17","Nuclear hormone receptor subfamily 1","Protein Kinase","Cysteine proteas
e","Peptide receptor (family A GPCR)","Cytochrome P450 family 3",Bromodomain,"Cytochrome P450 family 51","ATP-binding cassette","Cytochrome P450 family 17A","Nuclear hormone receptor subfamily 1 group
 F","CMGC protein kinase group","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Cytochrome P450 family 51A","ABCB subfamily","Cytochrome P450 17A1","N
uclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cysteine protease C19 family","Neuropeptide receptor","Cytochrome P450 3A4","Cytochrome P450 51A1","CMGC protei
n kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Cytochrome P450","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Peptidases and proteinases","G protein-coupled receptors","Glycerophosphol
ipid turnover","Eicosanoid turnover","Heat shock proteins","1.13.11.- Dioxygenases","ATP-binding cassette transporter family",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","1F. Retinoic acid-related or
phans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C) Peptidases","Neuropeptide S receptor","Phospholipase A<sub>2</sub>","Prostaglandin synthases","CYP3 family",CYP39,"CYP46 and CY
P51 families","ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","C19: Ubiquitin-specific protease","C54: Aut2 peptidase","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Gene expression (Transcription)","Immune System","Cellular responses to external stimuli",Disease,Autophagy,"Cell Cycle","Metabolism of lipids","Transmission across Chem
ical Synapses","RNA Polymerase II Transcription","Innate Immune System","Cellular responses to stress","Infectious disease",Macroautophagy,Mitotic,"Metabolism of amino acids and derivatives","Biologic
al oxidations","Cell Cycle Checkpoints","Metabolism of steroids","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Toll-like Receptor Cascades","Cellul
ar response to hypoxia","Leishmania infection","Phospholipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G2-G2/M phases","Tryptophan catabolism","Phase I - Functio
nalization of compounds","G1/S DNA Damage Checkpoints","Metabolism of steroid hormones","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Toll Like Receptor
 5 (TLR5) Cascade","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by TP53","Leishmania parasite growth and survival","Glycerophospholipid biosyn
thesis","Biosynthesis of DHA-derived SPMs","G2/M Transition","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt meta
bolism","Androgen biosynthesis","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","
Anti-inflammatory response favouring Leishmania parasite infection","Acyl chain remodelling of PC","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Centrosome maturation","p53-Dependen
t G1 DNA Damage Response","Endogenous sterols","Synthesis of bile acids and bile salts","Activation of AMPK downstream of NMDARs","MAP kinase activation","Regulation of TP53 Expression and Degradation
","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Loss of proteins required for interphase microtubule organization from the centrosome","Stabilization o
f p53","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Loss of Nlp from mitotic centroso
mes","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{IMI028,"Bifonazole (JP17/USAN/INN)",bifonazole,60628-96-8,60628968,Mycospor,Bifonazol,Trifonazole,"BAY H 4502",Amycor,Azolmen,1-(phenyl-(4-phenylphenyl)methyl)imidazole,1(phenyl(4phenylphenyl)methyl)
imidazole,"Bifonazol (INN-Spanish)","Bifonazol (INNSpanish)","Bifonazolum (INN-Latin)","Bifonazolum (INNLatin)",1-((4-Biphenylyl)phenylmethyl)-1,1((4Biphenylyl)phenylmethyl)1,T1187,SAM001246775,150530
9,Prestw-1241,Bifonazole,CPD000058970,BIFONAZOLE}

> <pdid>
PD000951

> <targets>
{}

> <classes>
{"calmodulin antagonist",antifungal}

> <pubchem_cids>
{2378}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    1.0255   -3.6140    0.0000 N   0  0
    1.6332   -2.2426    0.0000 C   0  0
    3.1247   -2.0836    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -2.6408    0.8580    0.0000 C   0  0
   -3.7580   -0.1251    0.0000 O   0  0
   -5.0368    0.6589    0.0000 C   0  0
   -6.4199    0.0830    0.0000 C   0  0
   -6.6139   -1.4044    0.0000 O   0  0
   -4.6863    2.1174    0.0000 C   0  0
   -5.6602    3.2582    0.0000 O   0  0
   -3.1909    2.2347    0.0000 C   0  0
   -2.3989    3.5086    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15  8  1  0
 15 16  1  0
  7 17  1  0
 17  4  2  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11618

> <plate>
PLATE 009

> <well>
C8

> <supplier_cmpd_name>
Mizoribine

> <ctcr_id>
605

> <supplier_cmpd_id>
T1188

> <smiles>
NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O

> <pd_targets>
{HTT,BLM,ALDH1A1,GAA,KDM4E}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Epigenetic regulator",Oxidoreductase,Hydrolase,Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"3.2.1.- Glycosidases","Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair",Metabolism,Disease,"RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Biological oxidations","Diseases of metabolism","Generic Transcri
ption Pathway","Homology Directed Repair","Phase I - Functionalization of compounds","Diseases of carbohydrate metabolism","Transcriptional Regulation by MECP2","HDR through Homologous Recombination (
HRR) or Single Strand Annealing (SSA)","Ethanol oxidation","Glycogen storage diseases","Regulation of MECP2 expression and activity","HDR through Homologous Recombination (HRR)","Glycogen storage dise
ase type II (GAA)","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NSC289637,"NSC 289637;HE 69",SCHEMBL7119,CHEMBL165000,HMS3372M17,HMS3869H13,AKOS015895934,NSC-289637,AK162477,LS-13657,LS13657,NCI60_002375,NCI60002375,NCI60-002375,"NCI60 002375",FT-0630635,FT063063
5,FT-0652030,FT0652030,"1H-Imidazole-4-carboxamide, 5-hydroxy-1-.beta.-D-ribofuranosyl-","1HImidazole4carboxamide, 5hydroxy1.beta.Dribofuranosyl",T1188,S1384,Mizoribine}

> <pdid>
PD002689

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{4213}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 19  0  0  1  0            999 V2000
   11.4936   -2.0085    0.0000 Cl  0  5
    5.1889   -6.0106    0.0000 C   0  0
    3.8914   -5.2578    0.0000 C   0  0
    3.8937   -3.7570    0.0000 N   0  0
    5.1963   -3.0116    0.0000 C   0  0
    6.4929   -3.7658    0.0000 C   0  0
    2.5955   -3.0038    0.0000 C   0  0
    1.2951   -3.7514    0.0000 O   0  0
    2.5978   -1.5030    0.0000 C   0  0  2  0  0  0
    3.9823   -1.5719    0.0000 C   0  0
    3.2345   -0.2716    0.0000 C   0  0  2  0  0  0
    3.2075    1.2189    0.0000 C   0  0
    4.4919    1.9936    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    8.9936   -2.0085    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  9  7  1  1
  9 10  1  0
 10 11  1  0
 11  9  1  0
 11 12  1  1
 12 13  1  0
  9 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  CHG  2   1  -1  20   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11619

> <plate>
PLATE 009

> <well>
C9

> <supplier_cmpd_name>
Milnacipran hydrochloride

> <ctcr_id>
1874

> <supplier_cmpd_id>
T1189

> <smiles>
[Cl-].CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2.[H+]

> <pd_targets>
{SLC6A4,SLC6A3,SLC6A2,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,MAPK1,KDM4E,CYP2D6,NET}

> <pathway_gtopdb>
{Transporter,"Ion channel","Electrochemical transporter","Ligand-gated ion channel","SLC superfamily of solute carriers","Ionotropic glutamate receptor","SLC06 neurotransmitter transporter family","NM
DA receptor",Enzyme,"Epigenetic regulator",Kinase,Eraser,"Cytochrome P450","Protein Kinase","Lysine demethylase","Cytochrome P450 family 2","CMGC protein kinase group","Jumonji domain-containing","Cyt
ochrome P450 family 2D","CMGC protein kinase MAPK family","Cytochrome P450 2D6","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC6 neurotransmitter transporter family","Monoamine transporter subfamily",Enzymes,"Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Cytochrome
 P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System",Disease,"Transmission across Chemical Synapses","Disorders of transmembrane transporters","Neurotransmitter clearance","SLC transporter disorders","Serotonin clearance from the syna
ptic cleft","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)","Immune System",Metabolism,"Innate Immune System","Biological oxida
tions","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","MyD88 cascade initiated on plasma 
membrane",Xenobiotics,"MAP kinase activation","CYP2E1 reactions","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{SLC6A2,SLC6A4}

> <broad_moa>
{"serotoninânorepinephrine reuptake inhibitor (SNRI)"}

> <synonyms>
{"Milnacipran hydrochloride","Milnacipran HCl",101152-94-7,101152947,"101152 94 7",Savella,Milnacipran,"Milnacipran (hydrochloride)","F 2207",175131-61-0,175131610,"175131 61 0","(1R-cis)-Milnacipran 
Hydrochloride","(1Rcis)Milnacipran Hydrochloride","(1Rcis)Milnacipran Hydrochl",T2594,SAM001247035,Levomilnacipran,CPD000449266}

> <pdid>
PD009171

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{55480,67108486,163701}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 36  0  0  1  0            999 V2000
   14.1232   -1.0040    0.0000 Cl  0  0
    5.3049   -1.4146    0.0000 C   0  0
    5.6908    0.0349    0.0000 O   0  0
    6.3681   -2.4738    0.0000 C   0  0
    5.9790   -3.9233    0.0000 N   0  0
    4.5294   -4.3120    0.0000 O   0  0
    4.1405   -5.7607    0.0000 C   0  0
    7.8173   -2.0835    0.0000 C   0  0
    8.9651   -3.0293    0.0000 N   0  0
   10.2204   -2.2082    0.0000 C   0  0
    9.8273   -0.7606    0.0000 S   0  0
    8.3291   -0.6871    0.0000 C   0  0
   11.6225   -2.7411    0.0000 N   0  0
    3.8557   -1.8049    0.0000 N   0  0
    2.7967   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 S   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 S   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.5517    0.8722    0.0000 N   0  0
   -7.5554    1.9869    0.0000 N   0  0
   -6.8054    3.2859    0.0000 N   0  0
   -5.3382    2.9741    0.0000 N   0  0
   -6.8548   -0.5969    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3032    3.7490    0.0000 O   0  0
    1.2946    3.7531    0.0000 O   0  0
    2.7967    0.7500    0.0000 C   0  0
    3.8573    1.8107    0.0000 O   0  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12  8  2  0
 10 13  1  0
  2 14  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 16 21  1  1
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 24  2  0
 25 29  1  0
 18 30  1  0
 30 31  2  0
 30 32  1  0
 17 33  1  0
 33 15  1  0
 33 34  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11620

> <plate>
PLATE 009

> <well>
C10

> <supplier_cmpd_name>
Cefmenoxime hydrochloride

> <ctcr_id>
11024

> <supplier_cmpd_id>
T1190

> <smiles>
Cl.C(=O)(/C(=N\OC)/c1nc(sc1)N)N[C@H]1[C@@H]2N(C(=C(CS2)CSc2n(nnn2)C)C(=O)O)C1=O

> <pd_targets>
{DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PBPA}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease SE clan","Serine protease S11 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{75738-58-8,75738588,SCHEMBL192782,(C16H17N9O5S3)2.HCl,H790,T1190,"Cefmenoxime hydrochloride"}

> <pdid>
PD010134

> <targets>
{PBPs,Fts1}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{6917862}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    8.9458   -3.5622    0.0000 Na  0  3
    6.2966   -4.8284    0.0000 C   0  0
    4.8054   -4.6666    0.0000 N   0  0
    3.9195   -5.8781    0.0000 C   0  0
    4.5250   -7.2514    0.0000 S   0  0
    5.1307   -8.6237    0.0000 O   0  5
    3.6396   -8.4623    0.0000 O   0  0
    6.0162   -7.4132    0.0000 O   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    6.4451   -1.8434    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.2566    0.5871    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.6120   -3.9767    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  5  8  2  0
  3  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15  9  1  0
 15 16  2  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  CHG  2   1   1   6  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11621

> <plate>
PLATE 009

> <well>
C11

> <supplier_cmpd_name>
Analgin

> <ctcr_id>
4153

> <supplier_cmpd_id>
T1191

> <smiles>
[Na+].CN(C[S]([O-])(=O)=O)C1=C(C)N(C)N(C1=O)c2ccccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{dipyrone,"Metamizole sodium",Analgin,Methampyrone,68-89-3,68893,Novalgin,Methylmelubrin,Neomelurbrin,Algocalmin,sulpyrine,Novalgetol,Optalgin,Pyralgin,Sulpyrin,Narone,Algopyrine,Farmolisina,Nevralgin
a,Novamidazophen,Novaminsulfone,Pharmalgine,Alginodia,T1191,T3272,T1191L,1503298,Prestw-713,"Metamizole magnesium",Dipyron,DIPYRONE,Dipyrone}

> <pdid>

> <targets>
{}

> <classes>
{analgesic,antipyretic}

> <pubchem_cids>
{522325}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 43  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5886   -6.0033    0.0000 C   0  0
    1.2919   -5.2492    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 Cl  0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
    8.9894   -0.0154    0.0000 O   0  0
    8.9894   -1.5154    0.0000 C   0  0
    7.6901   -2.2650    0.0000 O   0  0
   10.2894   -2.2654    0.0000 C   0  0
   11.5894   -1.5154    0.0000 C   0  0
   12.8879   -2.2662    0.0000 O   0  0
   11.5908   -0.0146    0.0000 C   0  0
   12.8908    0.7354    0.0000 C   0  0
   14.1894   -0.0154    0.0000 O   0  0
   12.8922    2.2354    0.0000 O   0  0
   11.5906   -3.0454    0.0000 C   0  0
   10.2919   -3.7960    0.0000 O   0  0
   12.8897   -3.7951    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 15 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 34 40  1  0
 40 41  1  0
 40 42  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11622

> <plate>
PLATE 009

> <well>
D2

> <supplier_cmpd_name>
Clomifene citrate

> <ctcr_id>
7048

> <supplier_cmpd_id>
T1193

> <smiles>
CCN(CC)CCOc1ccc(cc1)C(=C(Cl)c2ccccc2)c3ccccc3.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"CLOMIPHENE CITRATE",50-41-9,50419,"50 41 9","Clomifene citrate",Clomid,Chloramiphene,"Clomiphene citrate (1:1)",Milophene,Serophene,Clostilbegyt,Clomivid,Clomphid,Dyneric,Genozym,Ikaclomin,43054-45-
1,43054451,"43054 45 1",Omifin,MER-41,MER41,SAM002699904,CPD001317855}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60974,74388156}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 Cl  0  0
    3.8999   -0.7576    0.0000 C   0  0
    3.9051    0.7424    0.0000 Cl  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
  4 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11623

> <plate>
PLATE 009

> <well>
D3

> <supplier_cmpd_name>
Mitotan

> <ctcr_id>
3465

> <supplier_cmpd_id>
T1199

> <smiles>
ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl

> <pd_targets>
{BLM,CYP3A4,TSHR,LEF,LMNA,ATM,TDP1,CHRM1,KDM4E,HIF1A,MAPT,ADORA3,HTR2B,HTR6,ADRA2A,SLC6A2,SLC6A3,SLC6A4,CYP11A1,CYP11B1,AR,CYP2C9,CYP2C19}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Epigenetic regulator","Transcription factor","Other cytosolic protein",Transporter,"Cytochrome P450","Family A G protein-coupled receptor",Protease
,Kinase,Hydrolase,Eraser,"Electrochemical transporter","Nuclear receptor","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Metallo protease","Protein Kinase","Small molecule receptor (fa
mily A GPCR)","Lysine demethylase","SLC superfamily of solute carriers","Cytochrome P450 family 11","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 3A","Glycohormone receptor","Metallo 
protease MAE clan","Atypical protein kinase group","Monoamine receptor","Jumonji domain-containing","Nucleotide-like receptor (family A GPCR)","SLC06 neurotransmitter transporter family","Cytochrome P
450 family 11A","Cytochrome P450 family 11B","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 3A4","Metallo protease M34 family","Atypical protein kinase PIKK family","Acetylcholine rec
eptor","Adenosine receptor","Serotonin receptor","Adrenergic receptor","Cytochrome P450 11A1","Cytochrome P450 11B1","Nuclear hormone receptor subfamily 3 group C member 4","Cytochrome P450 family 2",
"Cytochrome P450 family 2C","Cytochrome P450 2C9","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","SLC superfamily of solute carriers","Nuclear hormone receptors","C
YP3 family","Glycoprotein hormone receptors",Atypical,"Acetylcholine receptors (muscarinic)","1.14.11.- Histone demethylases","Adenosine receptors","5-Hydroxytryptamine receptors",Adrenoceptors,"SLC6 
neurotransmitter transporter family",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Steroid hormone receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter sub
family","3C. 3-Ketosteroid receptors","Other PIKK family kinases","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{"DNA Repair",Metabolism,Disease,"Cell Cycle","Signal Transduction","Cellular responses to external stimuli","Neuronal System","Gene expression (Transcription)","DNA Double-Strand Break Repair","Metab
olism of lipids","Infectious disease",Mitotic,"Cell Cycle Checkpoints","Signaling by GPCR","Cellular responses to stress","Transmission across Chemical Synapses","Disorders of transmembrane transporte
rs","Biological oxidations","RNA Polymerase II Transcription","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Uptake and actions of bacte
rial toxins","M Phase","G1/S DNA Damage Checkpoints","Nonhomologous End-Joining (NHEJ)","GPCR ligand binding","Cellular response to hypoxia","Neurotransmitter receptors and postsynaptic signal transmi
ssion","SLC transporter disorders","Neurotransmitter clearance","Phase I - Functionalization of compounds","Generic Transcription Pathway","HDR through Homologous Recombination (HRR) or Single Strand 
Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Uptake and function of anthrax toxins","Mitotic Metaphase and Anaphase","p53-Dependent G1/S DNA damage ch
eckpoint","Class A/1 (Rhodopsin-like receptors)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Activation of NMDA receptors and postsynaptic events","Defective SLC6A2 cau
ses orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Serotonin clearance from the synaptic cleft","Cytochrome P450 - arranged by substrate type","Transc
riptional regulation by RUNX2","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","p53-Depe
ndent G1 DNA Damage Response","Amine ligand-binding receptors","Post NMDA receptor activation events","Nucleotide-like (purinergic) receptors","Endogenous sterols","RUNX2 regulates bone development","
Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Mus
carinic acetylcholine receptors","Activation of AMPK downstream of NMDARs","Adenosine P1 receptors","Serotonin receptors",Adrenoceptors,"RUNX2 regulates osteoblast differentiation","Presynaptic phase 
of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1",Xenobiotics,"CYP2E1 reactions"}

> <broad_targets>
{CYP11A1,CYP11B1,ESR1}

> <broad_moa>
{"antineoplastic agent"}

> <synonyms>
{NCGC00015226-03,NCGC0001522603,NCGC00015226-04,NCGC0001522604,mitotane,53-19-0,53190,Mitotan,Lysodren,"o,p'-DDD","o,p'DDD",Chloditan,Chlodithane,Khlodithan,Chlodithan,"1-(2-Chlorophenyl)-1-(4-chlorop
henyl)-2,2-dichloroethane","1(2Chlorophenyl)1(4chlorophenyl)2,2dichloroethane","2,4'-Ddd","2,4'Ddd",Mitotano,1-Chloro-2-(2,1Chloro2(2,2-dichloro-1-(4-chlorophenyl,2dichloro1(4chlorophenyl,T1199,38721,
NSC38721,330082,Prestw-1444,"NSC 38721
NSC 38721",Mitotane,MITOTANE}

> <pdid>
PD002550

> <targets>
{Apoptosis}

> <classes>
{Adrenal cytotoxic agent,antineoplastic,insecticide,Apoptosis}

> <pubchem_cids>
{4211}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  1  0            999 V2000
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0964    0.7636    0.0000 C   0  0
   10.3966    0.0161    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0  1  0  0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -5.2500    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  6
 17 19  1  0
 19 20  1  6
 19 21  1  0
 21 22  1  0
 22 11  1  0
 22 15  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11624

> <plate>
PLATE 009

> <well>
D4

> <supplier_cmpd_name>
Nadolol

> <ctcr_id>
2346

> <supplier_cmpd_id>
T1203

> <smiles>
CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12

> <pd_targets>
{ADRB3,RECQL,ADRB2,ADRB1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{GTPL554,KBioGR_000765,KBioGR000765,KBioGR-000765,"KBioGR 000765",nadolol,42200-33-9,42200339,Corgard,Solgol,SQ-11725,SQ11725,CHEMBL649,MLS000028580,SMR000058975,DSSTox_CID_3342,DSSToxCID3342,DSSTox-C
ID-3342,"DSSTox CID 3342",DSSTox_RID_76983,DSSToxRID76983,DSSTox-RID-76983,"DSSTox RID 76983",DSSTox_GSID_23342,DSSToxGSID23342,DSSTox-GSID-23342,"DSSTox GSID 23342",SR-01000000251,SR01000000251,NCGC0
0016851-01,NCGC0001685101,Prestwick_108,Prestwick108,Prestwick-108,"Prestwick 108","Nadolol (EP)","Nadolol (HSDB)","Nadolol (INN",T1203,SAM002264627,1503260,Prestw-818,Nadolol,CPD000058975,NADOLOL}

> <pdid>
PD001017

> <targets>
{}

> <classes>
{"betaadrenergic blocker"}

> <pubchem_cids>
{39147}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8963    3.7531    0.0000 C   0  0
   -3.8942    5.2539    0.0000 C   0  0
   -5.1906    6.0085    0.0000 C   0  0
   -5.1854    7.5085    0.0000 C   0  0
   -3.8838    8.2540    0.0000 C   0  0
   -2.5874    7.4995    0.0000 C   0  0
   -2.5925    5.9995    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 S   0  0
    1.2810    2.2196    0.0000 O   0  0
   -0.0353    4.4996    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2986   -3.7517    0.0000 F   0  0
    1.2993   -3.7504    0.0000 F   0  0
    0.0007   -4.5008    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 10 18  1  0
 18 19  1  0
 19  7  1  0
 19 20  2  0
 19 21  2  0
  8 22  1  0
 22 23  2  0
 23  5  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11625

> <plate>
PLATE 009

> <well>
D5

> <supplier_cmpd_name>
Bendroflumethiazide

> <ctcr_id>
5931

> <supplier_cmpd_id>
T1204

> <smiles>
N[S](=O)(=O)c1cc2c(NC(Cc3ccccc3)N[S]2(=O)=O)cc1C(F)(F)F

> <pd_targets>
{LMNA,KDM4E,CYP3A4,ABCB11,ALDH1A1,SLC12A3,KCNMA1,CA1,CA2,CA4}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator",Enzyme,Transporter,"Ion channel",Eraser,"Cytochrome P450","Primary active transporter",Oxidoreductase,"Electrochemical transporter","Voltage-gated ion c
hannel",Lyase,"Lysine demethylase","Cytochrome P450 family 3","ATP-binding cassette","SLC superfamily of solute carriers","Potassium channels","Jumonji domain-containing","Cytochrome P450 family 3A","
ABCB subfamily","SLC12 family of cation-coupled chloride transporters","Calcium-activated potassium channel","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,"Ion channels","Chromatin modifying enzymes","Cytochrome P450","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Voltage-gated ion channels","Carbon
ic anhydrases","1.14.11.- Histone demethylases","CYP3 family","ABCB subfamily","SLC12 family of cation-coupled chloride transporters","Potassium channels","Calcium- and sodium-activated potassium chan
nels"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,Hemostasis,"Immune System","Transport of small molecules",Mitotic,"Metabolism of lipids","Biological oxidations","Disorders of transmembrane transporters","Platelet ho
meostasis","Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Phase I - Functionali
zation of compounds","SLC transporter disorders","Nitric oxide stimulates guanylate cyclase","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Mitotic Metaphase and
 Anaphase","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","Ethanol oxidation","Defective SLC12A3 causes Gitelman syndrome (GS)","cGMP effects","Interleukin-12 family signaling
","Mitotic Anaphase","Biosynthesis of maresins","Synthesis of bile acids and bile salts","Interleukin-12 signaling","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Synthesis of
 bile acids and bile salts via 7alpha-hydroxycholesterol","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SLC12A1,SLC12A3}

> <broad_moa>
{"sodium/potassium/chloride transporter inhibitor"}

> <synonyms>
{BENDROFLUMETHIAZIDE,Bendrofluazide,73-48-3,73483,Naturetin,Aprinox,Benzhydroflumethiazide,Benzylrodiuran,Berkozide,Centyl,Pluryl,Neo-naclex,Neonaclex,Bentride,Bristuric,Bristuron,Flumesil,Niagaril,Pl
usuril,Poliuron,Sinesalin,Sodiuretic,Thiazidico,Benuron,I,T1204,SAM002264598,1503104,Prestw-784,Bendroflumethiazide,CPD000058802}

> <pdid>
PD001076

> <targets>
{}

> <classes>
{antihypertensive,diuretic}

> <pubchem_cids>
{2315}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 20  0  0  1  0            999 V2000
    1.2951   -5.2547    0.0000 O   0  0
    1.2956   -3.7547    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5109    0.0000 Cl  0  0
    6.4897   -5.2632    0.0000 Cl  0  0
    2.5973   -1.5031    0.0000 C   0  0  2  0  0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  3
   -2.6030    2.9977    0.0000 O   0  5
   -3.8983    0.7459    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  3 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 18 20  2  0
M  CHG  2  18   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11626

> <plate>
PLATE 009

> <well>
D6

> <supplier_cmpd_name>
Chloramphenicol

> <ctcr_id>
2468

> <supplier_cmpd_id>
T1205

> <smiles>
OC[C@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O

> <pd_targets>
{LMNA,ALDH1A1,LEF,SKA,RPLP,DRAA,CD55}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,Oxidoreductase,Protease,Kinase,"Metallo protease","Metallo protease MAE clan","Metallo protease M34 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,"Metabolism of proteins",Mitotic,"Biological oxidations","Infectious disease","Post-translational protein modification","M Phase","Phase I - Functionalization of compo
unds","Uptake and actions of bacterial toxins","Asparagine N-linked glycosylation","Mitotic Metaphase and Anaphase","Ethanol oxidation","Uptake and function of anthrax toxins","Transport to the Golgi 
and subsequent modification","Mitotic Anaphase","ER to Golgi Anterograde Transport","Nuclear Envelope (NE) Reassembly","COPI-mediated anterograde transport","Initiation of Nuclear Envelope (NE) Reform
ation"}

> <broad_targets>
{CD55}

> <broad_moa>
{"bacterial 50S ribosomal subunit inhibitor"}

> <synonyms>
{L-erythro-Chloramphenicol,LerythroChloramphenicol,7384-89-6,7384896,L(+)-erythro-Chloramphenicol,L(+)erythroChloramphenicol,Spectrum_001311,Spectrum001311,Spectrum-001311,"Spectrum 001311",Spectrum2_
000884,Spectrum2000884,Spectrum2-000884,"Spectrum2 000884",Spectrum3_000338,Spectrum3000338,Spectrum3-000338,"Spectrum3 000338",Spectrum4_000275,Spectrum4000275,Spectrum4-000275,"Spectrum4 000275",Spe
ctrum5_001334,Spectrum5001334,Spectrum5-001334,"Spectrum5 001334",BSPBio_001975,BSPBio001975,BSPBio-001975,"BSPBio 001975",KBioGR_000770,KBioGR000770,KBioGR-000770,"KBioGR 000770",KBioSS_001791,KBioSS
001791,KBioSS-001791,"KBioSS 001791",SPECTRUM1500174,SPBio_000668,SPBio000668,SPBio-000668,"SPBio 000668",KBio2_001791,KBio2001791,KBio2-001791,"KBio2 001791",KBio2_,KBio2,KBio2-,1500174,CHLORAMPHENIC
OL}

> <pdid>
PD002431

> <targets>
{Antibiotic,Bacterial}

> <classes>
{inhibits protein synthesis,antirickettsial,antibacterial,Anti-infection}

> <pubchem_cids>
{146033}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    6.4908   -3.7717    0.0000 C   0  0
    5.1954   -3.0153    0.0000 O   0  0
    3.8915   -3.7585    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5765   -7.5048    0.0000 N   0  0
    1.2731   -8.2489    0.0000 S   0  0
   -0.0221   -7.4921    0.0000 C   0  0
    1.2648   -9.7488    0.0000 O   0  0
   -0.0300   -8.9919    0.0000 O   0  0
    1.2883   -5.2495    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  7 10  2  0
  5 11  2  0
 11 12  1  0
 12 13  2  0
 13  3  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 16  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 15  1  0
 28 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11627

> <plate>
PLATE 009

> <well>
D7

> <supplier_cmpd_name>
Amsacrine

> <ctcr_id>
3071

> <supplier_cmpd_id>
T1206

> <smiles>
COc1cc(N[S](C)(=O)=O)ccc1Nc2c3ccccc3nc4ccccc24

> <pd_targets>
{CYP3A4,HSD17B10,AOX1,CHRM1,CYP2D6,KCNH2,TOP2A,THPO,CASP1,CYP1A2,TOP2B,STAT6,CASP7,HIF1A,LEF,TSHR,TP53,LMNA,KDM4E,KMT2A,GLA,NFO,HPGD,GMNN,ALDH1A1,PMP22,BLM,RORC,GFER,MAPT,RAD52,RECQL,NPSR1,APEX1,ABCC4
,MTOR,SLC22A1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel","Unclassified protein","Transcription factor","Other nuclear protein","Epigenetic regulator","Other cytosolic protein",Transporter,"Cytochrome P450",Oxidoredu
ctase,"Family A G protein-coupled receptor","Voltage-gated ion channel",Isomerase,Protease,Eraser,Reader,Hydrolase,"Nuclear receptor","Primary active transporter",Kinase,"Electrochemical transporter",
"Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Potassium channels","Cysteine protease","Cytochrome P450 family 1","Metallo protease","Peptide receptor
 (family A GPCR)","Lysine demethylase",Bromodomain,"Nuclear hormone receptor subfamily 1","ATP-binding cassette","Protein Kinase","SLC superfamily of solute carriers","Cytochrome P450 family 3A","Mono
amine receptor","Cytochrome P450 family 2D","Voltage-gated potassium channel","Cysteine protease CD clan","Cytochrome P450 family 1A","Metallo protease MAE clan","Glycohormone receptor","Jumonji domai
n-containing","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","ABCC subfamily","Atypical protein kinase group","SLC22 family of organic cation and anion transpo
rters","Cytochrome P450 3A4","Acetylcholine receptor","Cytochrome P450 2D6","Cysteine protease C14 family","Cytochrome P450 1A1","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 gro
up F member 3","Neuropeptide receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Other protein targets",Transporters,"Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","DNA topoisomerases","Peptidases and proteinases","T
ranscription factors","Chromatin modifying enzymes","Eicosanoid turnover","Nuclear hormone receptors","ATP-binding cassette transporter family","Kinases (EC 2.7.x.x)","SLC superfamily of solute carrie
rs","CYP3 family","Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising subset","Potassium channels","CD: Cysteine (C) Peptidases","CYP1 family","STAT transcription factors","Glycopro
tein hormone receptors","1.14.11.- Histone demethylases","2.1.1.43 Histone methyltransferases (HMTs)","Prostaglandin synthases","1F. Retinoic acid-related orphans","Neuropeptide S receptor","ABCC subf
amily",Atypical,"SLC22 family of organic cation and anion transporters","Voltage-gated potassium channels","C14: Caspase","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Organic catio
n transporters (OCT)","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Muscle contraction","Cell Cycle",Hemostasis,"Gene expression (Transcription)","Metabolism of proteins","Immune System","Programmed Cell Death","Cellular responses to
 external stimuli",Disease,"Developmental Biology","DNA Repair","Protein localization","Neuronal System","Transport of small molecules","Metabolism of lipids","Metabolism of amino acids and derivative
s","Metabolism of vitamins and cofactors","Signaling by GPCR","Biological oxidations","Cardiac conduction",Mitotic,"Platelet activation","signaling and aggregation","RNA Polymerase II Transcription","
Post-translational protein modification","Innate Immune System",Apoptosis,"Cellular responses to stress","Infectious disease","Cell Cycle Checkpoints","Nervous system development","DNA Double-Strand B
reak Repair","Mitochondrial protein import","Transmission across Chemical Synapses","Base Excision Repair","SLC-mediated transmembrane transport","Biosynthesis of specialized proresolving mediators (S
PMs)","Branched-chain amino acid catabolism","Metabolism of water-soluble vitamins and cofactors","GPCR ligand binding","Phase I - Functionalization of compounds","Phase 3 - rapid repolarisation","Mit
otic G1 phase and G1/S transition","Platelet Aggregation (Plug Formation)","Generic Transcription Pathway",SUMOylation,"Cytosolic sensors of pathogen-associated DNA","Intrinsic Pathway for Apoptosis",
"Cellular response to hypoxia","Uptake and actions of bacterial toxins","Leishmania infection","G1/S DNA Damage Checkpoints","M Phase","Sphingolipid metabolism","EGR2 and SOX10-mediated initiation of 
Schwann cell myelination","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Resolution of Abasic Sites (AP sites)","Response to elevated platelet cytosolic 
Ca2+","Transport of bile salts and organic acids","metal ions and amine compounds","Biosynthesis of DHA-derived SPMs","Vitamins B6 activation to pyridoxal phosphate","Class A/1 (Rhodopsin-like recepto
rs)","Cytochrome P450 - arranged by substrate type","G0 and Early G1","Transcriptional Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","STING mediated induction of host immune response
s","Apoptotic factor-mediated response","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Uptake and function of anthrax toxins","Leishmania parasite growth and survival","p5
3-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX1","Glycosphingolipid metabolism","G1/S Transition","Ethanol oxidation","HDR through Homolog
ous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Resolution of AP sites via the multiple-nucleoti
de patch replacement pathway","Platelet degranulation","Organic cation/anion/zwitterion transport","Biosynthesis of maresins","Amine ligand-binding receptors",Xenobiotics,"Transcription of E2F targets
 under negative control by DREAM complex","TP53 Regulates Transcription of Cell Death Genes","SUMOylation of DNA replication proteins","STAT6-mediated induction of chemokines","Cytochrome c-mediated a
poptotic response","Anti-inflammatory response favouring Leishmania parasite infection","p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","RUNX1 regulates genes involved in megakaryocyte diffe
rentiation and platelet function","Biosynthesis of D-series resolvins","Activation of the pre-replicative complex","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cel
l Migration","Post NMDA receptor activation events","HDR through Single Strand Annealing (SSA)","PCNA-Dependent Long Patch Base Excision Repair","Regulation of TP53 Activity","Organic cation transport
","Biosynthesis of maresin-like SPMs","Muscarinic acetylcholine receptors","CYP2E1 reactions","TP53 Regulates Transcription of Caspase Activators and Caspases","Aromatic amines can be N-hydroxylated o
r N-dealkylated by CYP1A2","Activation of caspases through apoptosome-mediated cleavage","ADORA2B mediated anti-inflammatory cytokines production","Stabilization of p53","Nuclear Envelope (NE) Reassem
bly","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiquitin ligase COP1","Initiatio
n of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation"}

> <broad_targets>
{KCNH2,TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{amsacrine,51264-14-3,51264143,m-AMSA,mAMSA,Amsidine,Amsidyl,Acridinylanisidide,Amsacrina,Amsacrinum,Lamasine,Amekrin,Amsine,"Acridinyl Anisidide",4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide,
4'(9Acridinylamino)3'methoxymethanesulfonanilide,4'-(9-Acridinylamino)methanesulfon-m-anisidide,4'(9Acridinylamino)methanesulfonmanisidide,SN-11841,SN11841,T1206,NSC249992,"NSC 249992",Amsacrine,M-AMS
A}

> <pdid>
PD001019

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2179}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 36  0  0  0  0            999 V2000
    2.5866   -7.5059    0.0000 C   0  0
    2.5902   -6.0059    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0076    0.0000 O   0  0
    5.1958   -1.5068    0.0000 C   0  0
    6.4961   -0.7590    0.0000 O   0  0
    3.8976   -0.7537    0.0000 C   0  0
    3.8976    0.7463    0.0000 C   0  0
    2.5985    1.4963    0.0000 C   0  0
    2.6016    2.9971    0.0000 O   0  0
    3.9017    3.7453    0.0000 C   0  0
    1.2995    0.7463    0.0000 C   0  0
   -0.0018    1.4940    0.0000 O   0  0
   -1.2998    0.7422    0.0000 C   0  0
    1.2995   -0.7537    0.0000 C   0  0
    0.0013   -1.5068    0.0000 O   0  0
    0.0034   -3.0068    0.0000 C   0  0
    2.5986   -1.5037    0.0000 C   0  0
    2.5693   -4.4875    0.0000 N   0  0
    2.5745   -2.9875    0.0000 C   0  0
    1.2675   -5.2326    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1863   -7.5109    0.0000 C   0  0
    6.4838   -8.2636    0.0000 C   0  0
    7.7844   -7.5162    0.0000 C   0  0
    7.7875   -6.0162    0.0000 C   0  0
    6.4900   -5.2636    0.0000 C   0  0
   11.5875   -0.3821    0.0000 O   0  0
   11.5875   -1.8821    0.0000 C   0  0
   10.2882   -2.6317    0.0000 O   0  0
   12.8875   -2.6321    0.0000 C   0  0
   14.1874   -1.8821    0.0000 C   0  0
   14.1889   -0.3813    0.0000 C   0  0
   12.8903    0.3696    0.0000 O   0  0
   15.4881    0.3683    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19  8  1  0
  3 20  1  0
 20 21  1  0
 20 22  1  0
  3 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11628

> <plate>
PLATE 009

> <well>
D8

> <supplier_cmpd_name>
Trimebutine maleate

> <ctcr_id>
534

> <supplier_cmpd_id>
T1197

> <smiles>
CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate","2(Dimethylamino)2phenylbutyl 3,4,5trimethoxybenzoate maleate","Trimebutine maleate",34140-59-5,34140595,"Trimebutine (maleate)","Tr
imebutine maleate salt",Polibutin,UNII-DKM38HXX5A,UNIIDKM38HXX5A,UNII-H4XZJ9GX7T,UNIIH4XZJ9GX7T,Debridat,DKM38HXX5A,H4XZJ9GX7T,SMR000058893,MLS00,T1197,SAM001246747,1505011,CPD000471622,"TRIMEBUTINE M
ALEATE"}

> <pdid>

> <targets>
{}

> <classes>
{"opiod receptor agonist",antispasmodic}

> <pubchem_cids>
{5282423,5388977}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 19  0  0  0  0            999 V2000
    7.6894   -1.5062    0.0000 Cl  0  0
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0983    0.7368    0.0000 C   0  0
   -7.8029    2.9887    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11629

> <plate>
PLATE 009

> <well>
D9

> <supplier_cmpd_name>
Tetracaine hydrochloride

> <ctcr_id>
1732

> <supplier_cmpd_id>
T1198

> <smiles>
Cl.CCCCNc1ccc(cc1)C(=O)OCCN(C)C

> <pd_targets>
{SCN1A,SCN2A,SCN3A,CYP1A2,LMNA,CNGA1,MAPK1,CHRM1,BLM,GMNN,KDM4E,NFO,PMP22,AMPC,SCN9A,SIGMAR1,SCN5A,HTR2C,SCN8A,HTR2A,MAOA,SCN10A,SCN11A,SCN4A,SCN7A,RYR1,RYR2}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other nuclear protein","Membrane receptor","Unclassified protein","Epigenetic regulator","Voltage-gated ion channel","Cytochrome P450",Kinase,"Family A G protein-coupled recepto
r",Eraser,Hydrolase,Oxidoreductase,"Ligand-gated ion channel","Voltage-gated sodium channel","Cytochrome P450 family 1","Cyclic nucleotide-regulated channel","Protein Kinase","Small molecule receptor 
(family A GPCR)","Lysine demethylase","Ryanodine receptor","Cytochrome P450 family 1A","CMGC protein kinase group","Monoamine receptor","Jumonji domain-containing","Cytochrome P450 1A1","CMGC protein 
kinase MAPK family","Acetylcholine receptor","Serotonin receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Other protein targets","Cytochrome P450","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Chromatin modifying enzymes","Sigma recep
tors","Catecholamine turnover","CYP1 family","Cyclic nucleotide-regulated channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors (muscarinic)","1.14.11.- Histone demethylas
es","Voltage-gated sodium channels","5-Hydroxytryptamine receptors","Ryanodine receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Signal Transduction","Immune System","DNA Repair","Developmental Biology",Disease,"Muscle contraction","Biological oxidations",Mitotic,"Signaling by GPCR","Innate Immune Syst
em","DNA Double-Strand Break Repair","Nervous system development","Infectious disease","Cardiac conduction","Phase I - Functionalization of compounds","M Phase","GPCR downstream signalling","Toll-like
 Receptor Cascades","GPCR ligand binding","Homology Directed Repair","Mitotic G1 phase and G1/S transition","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Axon guidance","SARS-CoV I
nfections","Ion homeostasis","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","G alpha (i) signalling events","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin
-like receptors)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G1/S Transition","L1CAM interactions","Potential therapeutics for SARS","Amine Oxidase reactions",Xenob
iotics,"Mitotic Anaphase","Visual phototransduction","MyD88 cascade initiated on plasma membrane","Amine ligand-binding receptors","HDR through Homologous Recombination (HRR)","Activation of the pre-r
eplicative complex","Interaction between L1 and Ankyrins","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2",
"Nuclear Envelope (NE) Reassembly","The phototransduction cascade","MAP kinase activation","Muscarinic acetylcholine receptors","Homologous DNA Pairing and Strand Exchange","Serotonin receptors","Init
iation of Nuclear Envelope (NE) Reformation","Activation of the phototransduction cascade","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and stran
d exchange","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"membrane integrity inhibitor"}

> <synonyms>
{RESTW57,AKOS026750057,"Tetracaine hydrochloride",136-47-0,136470,"Tetracaine HCl","Amethocaine hydrochloride","2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride","2(dimethylamino)ethyl 4(bu
tylamino)benzoate hydrochloride","Tetracaine (hydrochloride)",Butylocaine,UNII-5NF5D4OPCI,UNII5NF5D4OPCI,tetracainehydrochloride,5NF5D4,T1198,1500564,Prestw-571,"TETRACAINE HYDROCHLORIDE","Tetraca?ne 
hydrochloride"}

> <pdid>
PD009137

> <targets>
{}

> <classes>
{"anesthetic (local)"}

> <pubchem_cids>
{67109157,15939509,8695,16057735}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 18  0  0  1  0            999 V2000
   15.4999   -0.3754    0.0000 Na  0  3
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 N   0  0
    6.5000    2.2500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0  2  0  0  0
    9.1010   -0.7502    0.0000 O   0  0
   11.6999    0.7500    0.0000 P   0  0
   11.6999    2.2500    0.0000 O   0  0
   12.9988    1.5002    0.0000 O   0  0
   12.9992    0.0004    0.0000 O   0  0
   10.3999   -1.5007    0.0000 P   0  0
   10.4006   -3.0007    0.0000 O   0  0
   11.6992   -2.2503    0.0000 O   0  5
    9.1014   -2.2516    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  2  0
 11 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  2  0
M  CHG  2   1   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11630

> <plate>
PLATE 009

> <well>
D10

> <supplier_cmpd_name>
Ibandronate sodium

> <ctcr_id>
4675

> <supplier_cmpd_id>
T1599L

> <smiles>
[Na+].CCCCCN(C)CC[C@](O)([P](O)(O)=O)[P](O)([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"IBANDRONATE SODIUM",138844-81-2,138844812,Bondronat,"Ibandronate sodium salt","Ibandronate (Sodium)","Sodium Ibandronate",UNII-23Y0B94E49,UNII23Y0B94E49,"138844-81-2 (sodium)","138844812 (sodium)",2
3Y0B94E49,"Ibandronic Acid Sodium Salt",MFCD07197214,"BM 21.0955Na",NCGC00167428-,NCGC00167428,T1599L,Prestw-1285,"Ibandronate sodium"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23670359,60851}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 37  0  0  1  0            999 V2000
   -1.2792    8.2512    0.0000 N   0  0
   -2.5814    7.5068    0.0000 C   0  0
   -2.5887    6.0060    0.0000 C   0  0  1  0  0  0
   -1.2918    5.2523    0.0000 O   0  0
   -1.2961    3.7523    0.0000 C   0  0  2  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  2  0  0  0
    1.3092    5.2494    0.0000 C   0  0  1  0  0  0
    0.0127    6.0039    0.0000 N   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2088    5.9860    0.0000 N   0  0
    3.9020    3.7405    0.0000 C   0  0  2  0  0  0
    5.1985    2.9860    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0
    2.5922    1.4941    0.0000 O   0  0
    1.2888    0.7500    0.0000 C   0  0  2  0  0  0
   -0.0583    1.3804    0.0000 O   0  0
   -1.0696    0.2726    0.0000 C   0  0  2  0  0  0
   -2.5582    0.4426    0.0000 C   0  0
   -3.4515   -0.7624    0.0000 O   0  0
   -0.3286   -1.0316    0.0000 C   0  0  1  0  0  0
   -0.9481   -2.3977    0.0000 O   0  0
    1.1408   -0.7298    0.0000 C   0  0  1  0  0  0
    2.2545   -1.7346    0.0000 O   0  0
   -2.5973    3.0060    0.0000 C   0  0  2  0  0  0
   -2.6015    1.5060    0.0000 N   0  0
   -3.8942    3.7597    0.0000 C   0  0  1  0  0  0
   -5.1953    3.0133    0.0000 O   0  0
   -3.8899    5.2597    0.0000 C   0  0  2  0  0  0
   -5.1868    6.0133    0.0000 O   0  0
    9.0095    3.0018    0.0000 O   0  0
    9.0095    1.5018    0.0000 S   0  0
    9.0095    0.0018    0.0000 O   0  0
    7.7102    0.7522    0.0000 O   0  0
   10.3088    0.7522    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  6
  7  6  1  6
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  6
 13 15  1  0
 15  7  1  0
 15 16  1  0
 17 16  1  1
 17 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  1  0
 19 22  1  0
 22 23  1  6
 22 24  1  0
 24 17  1  0
 24 25  1  6
  5 26  1  0
 26 27  1  6
 26 28  1  0
 28 29  1  1
 28 30  1  0
 30  3  1  0
 30 31  1  6
 32 33  1  0
 33 34  1  0
 33 35  2  0
 33 36  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11631

> <plate>
PLATE 009

> <well>
D11

> <supplier_cmpd_name>
Ribostamycin sulfate

> <ctcr_id>
4059

> <supplier_cmpd_id>
T1214

> <smiles>
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)C2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O.O[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ribostamycin sulfate",SR-05000002749,SR05000002749,"SR 05000002749",53797-35-6,53797356,"53797 35 6",SPECTRUM1503939,HMS502N16,HMS1922M20,Pharmakon1600-01503939,Pharmakon160001503939,"Pharmakon1600 
01503939",CCG-39931,CCG39931,CCG,1503939,"RIBOSTAMYCIN SULFATE"}

> <pdid>
PD011649

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5702279}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -7.8029    2.9887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6994    0.7341    0.0000 C   0  0
  -12.9984    1.4841    0.0000 C   0  0
  -12.9985    2.9841    0.0000 C   0  0
  -11.6994    3.7341    0.0000 C   0  0
  -10.4004    2.9842    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
    2.5925    6.0081    0.0000 N   0  3
    2.5879    7.5081    0.0000 O   0  0
    3.8940    5.2624    0.0000 O   0  5
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 O   0  0
    3.8926    3.7566    0.0000 C   0  0
    6.3982    3.0043    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  2  1  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 17  1  0
  4 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  3
 28 23  1  0
 25 29  1  0
 29 30  2  0
 29 31  1  0
  3 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
M  CHG  2  29   1  31  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11632

> <plate>
PLATE 009

> <well>
E2

> <supplier_cmpd_name>
Nicardipine hydrochloride

> <ctcr_id>
7027

> <supplier_cmpd_id>
T1215

> <smiles>
CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl

> <pd_targets>
{BLM,CYP3A4,GMNN,FTL,MAPT,PMP22,MAPK1,NPSR1,NFO,LMNA,MDH1,CYP2C9,ADORA2A,CYP2J2,SLC29A1,ADRA1A,ADRA1B,ADRA1D,CYP2C8,KCNA4,ADORA1,ABCB11,AMPC,ABCB1,NORA,CYP2C19,CYP1A2,CYP2D6,CACNA1C,CACNA1D,CACNA1S,AD
RA2A,ADRA2B,ADRA2C,ADORA3,ABCB1A,ABCB1B,MTOR,ABCG2,TRPA1,ABCC4,CACNA1F,CACNB2,CACNA2D1,PDE1A,PDE1B,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,CALM1,NFKB1,HIF1A,THPO,TP53,TSHR}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Membrane receptor","Other nuclear protein",Transporter,"Ion channel","Auxiliary transport protein","Transcription factor","Cytochrome P450",Ki
nase,"Family A G protein-coupled receptor",Hydrolase,Oxidoreductase,"Electrochemical transporter","Voltage-gated ion channel","Primary active transporter","Calcium channel auxiliary subunit beta famil
y","Calcium channel auxiliary subunit alpha2delta family",Phosphodiesterase,"Cytochrome P450 family 3","Protein Kinase","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Small molecule re
ceptor (family A GPCR)","SLC superfamily of solute carriers","Potassium channels","ATP-binding cassette","Cytochrome P450 family 1","Voltage-gated calcium channel","Transient receptor potential channe
l","Phosphodiesterase 1","Cytochrome P450 family 3A","CMGC protein kinase group","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2C","Nucleotide-like receptor (family A GPCR)","SLC28 
and SLC29 families of nucleoside transporters","Monoamine receptor","Voltage-gated potassium channel","ABCB subfamily","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Atypical protein kinase 
group","ABCG subfamily","ABCC subfamily","Phosphodiesterase 1A","Phosphodiesterase 1B","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Neuropeptide receptor","Cytochrome P450 2C9","Adenosine 
receptor","SLC29 Facilitative nucleoside transporter family","Adrenergic receptor","Cytochrome P450 2C8","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 2D6","Atypical protein kinase PIK
K family","Acetylcholine receptor","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","Glycohormone receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","Kinases (EC 2.7.x.x)","G protein-coupled receptors","SLC superfamily of solute carriers","Voltage-gated ion channels","ATP-binding cas
sette transporter family","Cyclic nucleotide turnover/signalling","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","CYP2 family: drug metabolising subset","Adeno
sine receptors","SLC28 and SLC29 families of nucleoside transporters","Potassium channels","ABCB subfamily","CYP1 family",Atypical,"Voltage-gated calcium channels","ABCG subfamily","Transient Receptor
 Potential channels","ABCC subfamily",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)",Adrenoceptors,"Acetylcholine receptors (muscarinic)","Mitogen-activated protein kinases (MAP kinases)","SLC29 
family","Voltage-gated potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"DNA Repair",Metabolism,"Cell Cycle","Vesicle-mediated transport","Neuronal System","Developmental Biology","Immune System",Disease,"Transport of small molecules","Signal Transduction","Gene expressi
on (Transcription)",Hemostasis,"Cellular responses to external stimuli","DNA Double-Strand Break Repair","Metabolism of lipids",Mitotic,"Membrane Trafficking","Transmission across Chemical Synapses","
Nervous system development","Innate Immune System","Infectious disease","Metabolism of carbohydrates","Biological oxidations","SLC-mediated transmembrane transport","Potassium Channels","Signaling by 
GPCR","Abacavir transport and metabolism","RNA Polymerase II Transcription","Ion channel transport","Platelet activation","signaling and aggregation","Intracellular signaling by second messengers","Cy
tokine Signaling in Immune system","Cellular responses to stress","Cell Cycle Checkpoints","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G1 phase and 
G1/S transition","trans-Golgi Network Vesicle Budding","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Rec
eptor Cascades","Leishmania infection","M Phase","Glucose metabolism","Phase I - Functionalization of compounds","Transport of vitamins",nucleosides,"and related molecules","Voltage gated Potassium ch
annels","GPCR ligand binding","Metabolism of steroids","Abacavir transmembrane transport","Generic Transcription Pathway","Axon guidance","Stimuli-sensing channels","Response to elevated platelet cyto
solic Ca2+","DAG and IP3 signaling","Signaling by Interleukins","Cellular response to hypoxia","Platelet Aggregation (Plug Formation)","G1/S DNA Damage Checkpoints","HDR through Homologous Recombinati
on (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","G1/S Transition","Golgi Associated Vesicle Biogenesis","Activation of NMDA receptors and postsynaptic events","Toll Like 
Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase",Gluconeogenesis,"Cytochrome P450 - arranged by substrate type","Transport of nucleosides and free 
purine and pyrimidine bases across the plasma membrane","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Transcriptional Regulation by TP53","NCAM signaling for neurite out
-growth","TRP channels","Platelet degranulation","CaM pathway","Interleukin-1 family signaling","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","p53-Dependent G1/S DNA damag
e checkpoint","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Activation of the pre-replicative complex","Post NMDA receptor activation events","MyD88 cascade initiated on pla
sma membrane","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase",Xenobiotics,"Fatty acids","Nucleotide-like (purinergic) receptors","Synthesis of bile acids and bi
le salts","Regulation of TP53 Activity","NCAM1 interactions","Calmodulin induced events","Amine ligand-binding receptors","Interleukin-1 signaling","p53-Dependent G1 DNA Damage Response","Homologous D
NA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Nuclear
 Envelope (NE) Reassembly","CYP2E1 reactions","Adenosine P1 receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Aromatic amines can be N-hydroxylated or N-dealkylated by
 CYP1A2","Regulation of TP53 Expression and Degradation","Cam-PDE 1 activation",Adrenoceptors,"Muscarinic acetylcholine receptors","CREB1 phosphorylation through NMDA receptor-mediated activation of R
AS signaling","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Stabilization of p53","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinase
s","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAP
K targets","ERKs are inactivated"}

> <broad_targets>
{ADORA3}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"NICARDIPINE HYDROCHLORIDE",54527-84-3,54527843,"Nicardipine HCl",Perdipine,Loxen,Nicodel,YC-93,YC93,"Nicardipine (Hydrochloride)","YC-93 hydrochloride","YC93 hydrochloride",RS-69216,RS69216,RS-69216
-XX-07-0,RS69216XX070,MLS000069782,Lincil,Dagan,"Cardene SR",MFCD00057327,Angioglebil,Bionicard,Nic,SAM002564254,CPD001456372}

> <pdid>
PD009884

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{41114}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2925   -3.7494    0.0000 C   0  0
   -0.0041   -2.9953    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    7.7905   -6.0071    0.0000 O   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
  3 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11633

> <plate>
PLATE 009

> <well>
E3

> <supplier_cmpd_name>
Diethylstilbestrol

> <ctcr_id>
1555

> <supplier_cmpd_id>
T1216

> <smiles>
CC\C(c1ccc(O)cc1)=C(\CC)c2ccc(O)cc2

> <pd_targets>
{KMT2A,HSD17B10,ESRRA,ESRRG,ESR1,ESR2,LMNA,TSHR,USP2,GALE,ESRRB,MAPT,NPSR1,MAPK14,ATP2A1,CA1,AOX1,ADRA1A,RORC,LEF,ALOX15,PGR,AR,HIF1A,FTL,CA2,ALDH1A1,MAPK1,CYP3A4,SLC6A2,HTR6,SLC6A4,TBXAS1,ACHE,ADORA1
,ADORA2A,CHRM1,OPRD1,OPRK1,OPRM1,FYN,NR1I2,ADRA2B,ADRA2C,SLC6A3,NR3C1,HTR2A,HTR2C,ADRA1D,ADRA2A,ADRB1,DRD3,AVPR1A,ADORA3,CYSLTR1,HTR2B,DRD2,CHRM3,TACR2,ABCG2,PTGS1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor","Other nuclear protein","Membrane receptor","Other cytosolic protein",Transporter,"Unclassified protein",Reader,Oxidoreductase,"Nuclear receptor",
"Family A G protein-coupled receptor",Protease,Isomerase,Kinase,"Primary active transporter",Lyase,"Cytochrome P450","Electrochemical transporter",Hydrolase,Bromodomain,"Nuclear hormone receptor subfa
mily 3","Peptide receptor (family A GPCR)","Cysteine protease","Protein Kinase","P-type ATPase","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Metallo protease","Cyt
ochrome P450 family 3","SLC superfamily of solute carriers","Cytochrome P450 family 5","ATP-binding cassette","Nuclear hormone receptor subfamily 3 group B","Nuclear hormone receptor subfamily 3 group
 A","Glycohormone receptor","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","CMGC protein kinase group","Calcium ATPase","Monoamine receptor","Nuclear hormone receptor subfamily 1
 group F","Metallo protease MAE clan","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 family 3A","SLC06 neurotransmitter transporter family","Cytochrome P450 family 5A","Nucleotide-lik
e receptor (family A GPCR)","TK protein kinase group","Nuclear hormone receptor subfamily 1 group I","Lipid-like ligand receptor (family A GPCR)","ABCG subfamily","Nuclear hormone receptor subfamily 3
 group B member 1","Nuclear hormone receptor subfamily 3 group B member 3","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group A member 2","Cysteine pro
tease C19 family","Nuclear hormone receptor subfamily 3 group B member 2","Neuropeptide receptor","CMGC protein kinase MAPK family","Adrenergic receptor","Nuclear hormone receptor subfamily 1 group F 
member 3","Metallo protease M34 family","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","Cytochrome P450 3A4","Serotonin receptor","Cyto
chrome P450 5A1","Adenosine receptor","Acetylcholine receptor","Opioid receptor","Tyrosine protein kinase Src family","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone receptor 
subfamily 3 group C member 1","Dopamine receptor","Vasopressin and oxytocin receptor","Leukotriene receptor","Neurokinin receptor","CMGC protein kinase p38 subfamily","CMGC protein kinase ERK1","Tyros
ine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","Nuclear hormone receptors","G protein-coupled receptors","Peptidases and proteinases","Kinases (EC 2.7.x.x)","P-type ATPases","Carbonic a
nhydrases","Eicosanoid turnover","Cytochrome P450","SLC superfamily of solute carriers","Acetylcholine turnover","Catalytic receptors","ATP-binding cassette transporter family","2.1.1.43 Histone methy
ltransferases (HMTs)","3B. Estrogen-related receptors","Steroid hormone receptors","Glycoprotein hormone receptors","CA: Cysteine (C) Peptidases","Neuropeptide S receptor","CMGC: Containing CDK",MAPK,
GSK3,"CLK families","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases",Adrenoceptors,"1F. Retinoic acid-related orphans",Lipoxygenases,"CYP3 family","SLC6 neurotransmitter transporter family","5-Hydroxytry
ptamine receptors",CYP5,"CYP7 and CYP8 families","Adenosine receptors","Acetylcholine receptors (muscarinic)","Opioid receptors","Receptor kinases","1I. Vitamin D receptor-like receptors","Dopamine re
ceptors","Vasopressin and oxytocin receptors","Leukotriene receptors","Tachykinin receptors","ABCG subfamily",Cyclooxygenase,"3A. Estrogen receptors","C19: Ubiquitin-specific protease","Mitogen-activa
ted protein kinases (MAP kinases)","3C. 3-Ketosteroid receptors","Monoamine transporter subfamily","TK: Tyrosine kinase","p38 subfamily","ERK subfamily","Non-receptor tyrosine kinases (nRTKs)","Src fa
mily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Signal Transduction","Cell Cycle",Disease,"Neuronal System","Immune System",Hemostasis,"Cellular responses to external stimuli","Vesicle-mediated transpo
rt","Transport of small molecules","Metabolism of proteins","RNA Polymerase II Transcription","Metabolism of amino acids and derivatives","Intracellular signaling by second messengers",Mitotic,"Infect
ious disease","Diseases of metabolism","Transmission across Chemical Synapses","Innate Immune System","Platelet homeostasis","Cytokine Signaling in Immune system","Metabolism of vitamins and cofactors
","Signaling by GPCR","Metabolism of lipids","Cellular responses to stress","Membrane Trafficking","O2/CO2 exchange in erythrocytes","Biological oxidations","Disorders of transmembrane transporters","
Post-translational protein modification","Abacavir transport and metabolism","Generic Transcription Pathway","Branched-chain amino acid catabolism","PIP3 activates AKT signaling","M Phase","Leishmania
 infection","Diseases of glycosylation","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor Cascades","Platelet calcium homeostasis","Signaling by Interleukins","Meta
bolism of water-soluble vitamins and cofactors","GPCR ligand binding","Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","Cellular response to hypoxia
","trans-Golgi Network Vesicle Budding","Erythrocytes take up carbon dioxide and release oxygen","Phase I - Functionalization of compounds","SLC transporter disorders","Neurotransmitter clearance","Ph
ospholipid metabolism","GPCR downstream signalling","HIV Infection",SUMOylation,"Abacavir transmembrane transport","Fatty acid metabolism","Transcriptional regulation by RUNX1","Transcriptional regula
tion by RUNX2","Nuclear Receptor transcription pathway","Negative regulation of the PI3K/AKT network","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Transcriptional Regula
tion by TP53","Diseases associated with glycosylation precursor biosynthesis","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","Reduction of cytosolic Ca++ 
levels","Interleukin-12 family signaling","Vitamins B6 activation to pyridoxal phosphate","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX3","Uptake and function of anthrax t
oxins","Biosynthesis of DPA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Golgi Associated Vesicle Biogenesis","Ethanol oxidation","Biosynthesis of DHA-deri
ved SPMs","Defective SLC6A2 causes orthostatic intolerance (OI)","Serotonin clearance from the synaptic cleft","Cytochrome P450 - arranged by substrate type","Glycerophospholipid biosynthesis","Transc
riptional Regulation by MECP2","G alpha (i) signalling events","Host Interactions of HIV factors","SUMO E3 ligases SUMOylate target proteins","Defective SLC6A3 causes Parkinsonism-dystonia infantile (
PKDYS)","FOXO-mediated transcription","Arachidonic acid metabolism","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Regulation of RUNX2 expression and activity
",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","RUNX1 regulates estrogen receptor mediated transcription","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","R
egulation of TP53 Activity","Defective GALE can cause Epimerase-deficiency galactosemia (EDG)","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","Interleukin-12 signa
ling","Amine ligand-binding receptors","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","RUNX2 regulates bone development","Biosynthesis of maresins",Eicosanoids,"Syn
thesis of PC","Nucleotide-like (purinergic) receptors","Peptide ligand-binding receptors","MECP2 regulates neuronal receptors and channels","Opioid Signalling","The role of Nef in HIV-1 replication an
d disease pathogenesis","SUMOylation of intracellular receptors","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Synthesis of Prostaglandins (PG) and Thromboxanes (TX
)","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Activation of AMPK downstream of NMDARs","MAP kinase ac
tivation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation",Adrenoceptors,"Biosynthesis of DPAn-3-derived protectins and resolvins","RUNX2 regulates osteoblast diffe
rentiation","Biosynthesis of maresin-like SPMs","Adenosine P1 receptors","Muscarinic acetylcholine receptors","G-protein activation","Nef and signal transduction","Serotonin receptors","Dopamine recep
tors","Vasopressin-like receptors","LTC4-CYSLTR mediated IL4 production","Tachykinin receptors bind tachykinins","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","MAP
K targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ESR1,ESR2,ESRRB,ESRRG}

> <broad_moa>
{"estrogen receptor agonist"}

> <synonyms>
{Palestrol,Stilbetin,diethylstilbestrol,56-53-1,56531,Stilbestrol,Stilboestrol,Distilbene,Agostilben,Estrobene,Estromenin,Stilboestroform,Antigestil,Synestrin,Vagestrol,Fonatol,Diethylstilbesterol,Men
ostilbeen,Oestrogenine,Oestromensyl,Oestromienin,St,T1216,1500244,Prestw-756,Diethylstilbestrol,DIETHYLSTILBESTROL}

> <pdid>
PD002375

> <targets>
{Estrogen Receptor/ERR}

> <classes>
{estrogen,Others}

> <pubchem_cids>
{448537}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 26  0  0  0  0            999 V2000
   16.6919   -0.3631    0.0000 H   0  3
   14.1919   -0.3631    0.0000 Cl  0  5
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8007   -1.4864    0.0000 C   0  0
    9.0971   -0.7319    0.0000 C   0  0
    9.0919    0.7681    0.0000 C   0  0
    7.7903    1.5136    0.0000 C   0  0
    6.4939    0.7591    0.0000 C   0  0
   10.3891    1.5230    0.0000 C   0  0
   11.6912    0.7783    0.0000 C   0  0
   10.3834    3.0230    0.0000 C   0  0
   11.6852    2.2781    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
  4 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 17  1  0
 26 21  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11634

> <plate>
PLATE 009

> <well>
E4

> <supplier_cmpd_name>
Butenafine hydrochloride

> <ctcr_id>
6112

> <supplier_cmpd_id>
T1217

> <smiles>
[H+].[Cl-].CN(Cc1ccc(cc1)C(C)(C)C)Cc2cccc3ccccc23

> <pd_targets>
{FABI,LMNA,SIGMAR1,SLC6A2,SLC6A4,ADRA2A,ACHE,CYP2D6,SQLE}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor",Transporter,Oxidoreductase,"Electrochemical transporter","Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450","SLC superfamily of solut
e carriers","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","SLC06 neurotransmitter transporter family","Monoamine receptor","Cytochrome P450 family 2D","Adrenergic receptor","Cyt
ochrome P450 2D6"}

> <pathway_chembl>
{"Other protein targets",Transporters,Receptors,Enzymes,"Sigma receptors","SLC superfamily of solute carriers","G protein-coupled receptors","Acetylcholine turnover","Cytochrome P450","Lanosterol bios
ynthesis pathway","SLC6 neurotransmitter transporter family",Adrenoceptors,"CYP2 family: drug metabolising subset","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Neuronal System","Signal Transduction",Metabolism,Mitotic,"Infectious disease","Disorders of transmembrane transporters","Transmission across Chemical Synapses","Signaling by GP
CR","Metabolism of lipids","Biological oxidations","M Phase","SARS-CoV Infections","SLC transporter disorders","Neurotransmitter clearance","GPCR ligand binding","Phospholipid metabolism","Phase I - F
unctionalization of compounds","Metabolism of steroids","Mitotic Metaphase and Anaphase","Potential therapeutics for SARS","Defective SLC6A2 causes orthostatic intolerance (OI)","Serotonin clearance f
rom the synaptic cleft","Class A/1 (Rhodopsin-like receptors)","Glycerophospholipid biosynthesis","Cytochrome P450 - arranged by substrate type","Regulation of cholesterol biosynthesis by SREBP (SREBF
)","Mitotic Anaphase","Amine ligand-binding receptors","Synthesis of PC",Xenobiotics,"Activation of gene expression by SREBF (SREBP)","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"CYP2E1 reactions
","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SQLE}

> <broad_moa>
{"fungal squalene epoxidase inhibitor"}

> <synonyms>
{"Butenafine hydrochloride",101827-46-7,101827467,"Butenafine HCL",Mentax,KP-363,KP363,"Butenafine (Hydrochloride)",UNII-R8XA2029ZI,UNIIR8XA2029ZI,CHEBI:31325,"N-(p-tert-Butylbenzyl)-N-methyl-1-naphth
alenemethylamine hydrochloride","N(ptertButylbenzyl)Nmethyl1naphthalenemethylamine hydrochloride",R8XA2029ZI,"Butenafine hydro",Prestw-1252,"Butenafine Hydrochloride"}

> <pdid>
PD009811

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{443867,45266505,67107862}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 48  0  0  0  0            999 V2000
   13.3280   -3.3713    0.0000 Na  0  3
    7.6305  -12.9774    0.0000 C   0  0
    8.6962  -11.9218    0.0000 C   0  0
    8.3155  -10.4700    0.0000 N   0  0
    6.8679  -10.0770    0.0000 C   0  0
    6.4845   -8.6268    0.0000 C   0  0
    7.5486   -7.5696    0.0000 N   0  0
    7.1620   -6.1194    0.0000 C   0  0
    8.2244   -5.0604    0.0000 O   0  0
    5.7131   -5.7282    0.0000 N   0  0
    5.3265   -4.2780    0.0000 C   0  0
    3.8775   -3.8868    0.0000 C   0  0
    2.8152   -4.9458    0.0000 O   0  0
    3.4909   -2.4366    0.0000 N   0  0
    2.0479   -2.0470    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  5
   -3.8983   -0.7459    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 S   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.2447    3.1359    0.0000 N   0  0
   -6.2484    4.2507    0.0000 N   0  0
   -5.4984    5.5497    0.0000 N   0  0
   -4.0312    5.2378    0.0000 N   0  0
   -2.9105    6.2349    0.0000 C   0  0
    6.3894   -3.2185    0.0000 C   0  0
    6.0055   -1.7684    0.0000 C   0  0
    7.0693   -0.7109    0.0000 C   0  0
    8.5170   -1.1034    0.0000 C   0  0
    9.5808   -0.0458    0.0000 O   0  0
    8.9010   -2.5534    0.0000 C   0  0
    7.8372   -3.6109    0.0000 C   0  0
    8.9962   -7.9627    0.0000 C   0  0
   10.0604   -6.9056    0.0000 O   0  0
    9.3797   -9.4129    0.0000 C   0  0
   10.8273   -9.8059    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 16  1  0
 21 22  1  0
 22 15  1  0
 22 23  2  0
 20 24  1  0
 24 25  1  0
 24 26  2  0
 19 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 29  1  0
 33 34  1  0
 11 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 41 35  1  0
  7 42  1  0
 42 43  2  0
 42 44  1  0
 44  4  1  0
 44 45  2  0
M  CHG  2   1   1  25  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11635

> <plate>
PLATE 009

> <well>
E5

> <supplier_cmpd_name>
Cefoperazone sodium

> <ctcr_id>
4886

> <supplier_cmpd_id>
T1218

> <smiles>
[Na+].CCN1CCN(C(=O)NC(C(=O)NC2C3SCC(=C(N3C2=O)C([O-])=O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{62893-20-3,62893203,"Cefoperazone Sodium, USP, Antibacterial.",NCGC00094952-01,NCGC0009495201,"lic acid, sodium salt","CEFOPERAZOLE SODIUM",SPECTRUM1502042,CHEMBL1572125,HMS500G10,HMS1921H08,HMS2092B
08,1094606-34-4,1094606344,CCG-39611,CCG39611,KM0669,AKOS000489775,AKOS0032749,T1218,1502042,"Cefoperazone sodium","CEFOPERAZONE SODIUM"}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{23665356}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 37  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    2.1651    1.2500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.3164   -2.2191    0.0000 C   0  0
    1.3163   -2.2193    0.0000 O   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  2  0  0  0
    1.3092    5.2494    0.0000 C   0  0  1  0  0  0
    0.0127    6.0039    0.0000 N   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2088    5.9860    0.0000 N   0  0
    3.9020    3.7405    0.0000 C   0  0  2  0  0  0
    5.2008    2.9882    0.0000 O   0  0
    6.5020    3.7360    0.0000 C   0  0
    6.5021    5.2361    0.0000 O   0  0
    7.8011    5.9861    0.0000 C   0  0
    9.1002    5.2361    0.0000 C   0  0
    9.1002    3.7361    0.0000 C   0  0
    7.8011    2.9861    0.0000 C   0  0
    7.8012    1.4861    0.0000 N   0  0
    7.8042    7.4869    0.0000 C   0  0
    9.1043    8.2351    0.0000 N   0  0
    2.6004    2.9949    0.0000 C   0  0  2  0  0  0
    2.5970    1.9950    0.0000 O   0  0
   12.9050    4.5127    0.0000 O   0  0
   12.9050    3.0127    0.0000 S   0  0
   12.9050    1.5127    0.0000 O   0  0
   11.6057    2.2632    0.0000 O   0  0
   14.2043    2.2632    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  9 10  1  1
  9 11  1  0
  6 12  1  1
 13 12  1  6
 13 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  1  0
 26 21  1  0
 26 27  1  0
 23 28  1  0
 28 29  1  0
 19 30  1  0
 30 13  1  0
 30 31  1  6
 32 33  1  0
 33 34  1  0
 33 35  2  0
 33 36  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11636

> <plate>
PLATE 009

> <well>
E6

> <supplier_cmpd_name>
Sisomicin Sulfate

> <ctcr_id>
1522

> <supplier_cmpd_id>
T1219

> <smiles>
CN[C@H]1[C@@H](O)[C@@H](OC[C@@]1(C)O)O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](OC3OC(=CCC3N)CN)[C@@H]2O.O[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sisomicin sulfate",53179-09-2,53179092,CHEMBL2104891,HMS2096F13,HMS3713F13,MFCD00058308,2C19H37N5O7.5H2SO4,AKOS025310121,CCG-220506,CCG220506,K-9649,K9649,179S092,Prestw-506}

> <pdid>
PD013115

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{24721103}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -3.8976    0.7553    0.0000 O   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
 11  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11637

> <plate>
PLATE 009

> <well>
E7

> <supplier_cmpd_name>
Aminopar

> <ctcr_id>
1815

> <supplier_cmpd_id>
T1296

> <smiles>
Nc1ccc(C(O)=O)c(O)c1

> <pd_targets>
{TDP1,POLB,KDM4E,MAPT,ESR2,PTPN1,TGR,FOLA,PTGS2,CHUK,ALOX5}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Transcription factor",Hydrolase,Eraser,"Nuclear receptor",Phosphatase,Oxidoreductase,Kinase,"Lysine demethylase","Nuclear hormone receptor sub
family 3","Protein Phosphatase","Protein Kinase","Jumonji domain-containing","Nuclear hormone receptor subfamily 3 group A","Tyrosine protein phosphatase","Other protein kinase group","Nuclear hormone
 receptor subfamily 3 group A member 2","Other protein kinase IKK family"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Nuclear hormone receptors",Phosphatases,"Eicosanoid turnover","Catalytic receptors","1.14.11.- Histone demethylases","Steroid hormone receptors","Prot
ein tyrosine phosphatases non-receptor type (PTPN)",Cyclooxygenase,"Receptor kinases",Lipoxygenases,"3A. Estrogen receptors","Other protein kinases","IKK family"}

> <pathway_reactome>
{"DNA Repair","Neuronal System","Signal Transduction","Gene expression (Transcription)",Metabolism,"Immune System","DNA Double-Strand Break Repair","Base Excision Repair","Transmission across Chemical
 Synapses","Intracellular signaling by second messengers","RNA Polymerase II Transcription","Metabolism of lipids","Innate Immune System","Nonhomologous End-Joining (NHEJ)","Resolution of Abasic Sites
 (AP sites)","Neurotransmitter receptors and postsynaptic signal transmission","PIP3 activates AKT signaling","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)
","Toll-like Receptor Cascades","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Activation of NMDA receptors and postsynaptic events","Negative regulation of the PI3K/A
KT network","Transcriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 4 (TLR4) Cascade","PCNA-Dependent Long Patch Base Excision Repair","Post NMDA receptor activati
on events",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MECP2 regulates neuronal receptors and channels","Biosynthesis of DPAn-3 SPMs","MyD88-independent TLR4 cascade","Activation of AMPK downstr
eam of NMDARs","TRIF(TICAM1)-mediated TLR4 signaling","Biosynthesis of DPAn-3-derived 13-series resolvins","IKK complex recruitment mediated by RIP1"}

> <broad_targets>
{ALOX5,CHUK,PLA2G2E,PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{"4-Aminosalicylic acid","4Aminosalicylic acid","4-Amino-2-hydroxybenzoic acid","4Amino2hydroxybenzoic acid",65-49-6,65496,"Aminosalicylic acid","P-AMINOSALICYLIC ACID","PAMINOSALICYLIC ACID",Rezipas,
Aminopar,Pamisyl,"Para-aminosalicylic acid","Paraaminosalicylic acid",Parasalindon,Deapasil,Apacil,Parasal,Paser,Gabbropas,Paramycin,Parasalicil,Pasnodi,T1296,1505993,Prestw-1202,MESALAMINE,"4-aminosa
licylic acid"}

> <pdid>
PD010156

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{4649}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  1  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0  2  0  0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0  2  0  0  0
    1.2982   -3.7531    0.0000 C   0  0
    1.2961   -5.2539    0.0000 C   0  0
    2.5943   -6.0070    0.0000 C   0  0  2  0  0  0
    2.5944   -7.5070    0.0000 C   0  0
    3.8934   -8.2570    0.0000 C   0  0  1  0  0  0
    3.8934   -9.7570    0.0000 O   0  0
    5.1924   -7.5071    0.0000 C   0  0
    5.1925   -6.0071    0.0000 C   0  0
    6.4915   -5.2571    0.0000 O   0  0
    3.8935   -5.2570    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  2  0
  5  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  1
 19 20  1  0
 21 20  1  1
 21 22  1  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 21  1  0
 18 29  1  0
 29  8  1  0
 29 13  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11638

> <plate>
PLATE 009

> <well>
E8

> <supplier_cmpd_name>
Lovastatin

> <ctcr_id>
3349

> <supplier_cmpd_id>
T1207

> <smiles>
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12

> <pd_targets>
{ALOX15,HMGCR,HDAC6,FTL,HDAC1,RORC,ITGAL,NR1I2,ACAT,TGR,LMNA,TSHR,MAPT,AR,HDAC2,ABCB1,ICAM1,HIF1A,FFP,CYP3A4,BCHE,ITGB2,SMN1,ALD,ACHE,KDM4E,ABCB11,SLC6A2,TACR2,ADORA1,SLC6A3,SLCO1B1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein","Transcription factor",Adhesion,"Other nuclear protein","Membrane receptor","Other cytosolic protein",Transporter,Oxidoreductase,Eraser,"Nuclear r
eceptor","Family A G protein-coupled receptor",Protease,"Primary active transporter",Transferase,"Cytochrome P450",Hydrolase,Reader,"Electrochemical transporter","Histone deacetylase","Nuclear hormone
 receptor subfamily 1","Peptide receptor (family A GPCR)","Cysteine protease","Nuclear hormone receptor subfamily 3","ATP-binding cassette","Cytochrome P450 family 3","Methyl-lysine/arginine binding p
rotein","Lysine demethylase","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","HDAC class IIb","HDAC class I","Nuclear hormone receptor subfamily 1 group F","Nuclear horm
one receptor subfamily 1 group I","Glycohormone receptor","Cysteine protease CA clan","Nuclear hormone receptor subfamily 3 group C","ABCB subfamily","Cytochrome P450 family 3A","Tudor domain","Jumonj
i domain-containing","SLC06 neurotransmitter transporter family","Short peptide receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","SLC21/SLCO family of organic anion transporting po
lypeptides","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group I member 2","Cysteine protease C1A family","Nuclear hormone receptor subfamily 3 group C
 member 4","Cytochrome P450 3A4","Neurokinin receptor","Adenosine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Eicosanoid turnover","Lanosterol biosynthesis pathway","Chromatin modifying enzymes","Nuclear hormone receptors","Catalytic receptors","G protein-coupled receptors","A
TP-binding cassette transporter family","Cytochrome P450","Acetylcholine turnover","SLC superfamily of solute carriers",Lipoxygenases,"3.5.1.- Histone deacetylases (HDACs)","1F. Retinoic acid-related 
orphans",Integrins,"1I. Vitamin D receptor-like receptors","Glycoprotein hormone receptors","Steroid hormone receptors","ABCB subfamily","CYP3 family","1.14.11.- Histone demethylases","SLC6 neurotrans
mitter transporter family","Tachykinin receptors","Adenosine receptors","SLCO family of organic anion transporting polypeptides","3C. 3-Ketosteroid receptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Vesicle-mediated transport",Disease,"Metabolism of proteins","Cell Cycle","Neuronal System","Immune System","Cellular responses to external stimuli","Met
abolism of RNA","Signal Transduction","Metabolism of lipids","RNA Polymerase II Transcription","Membrane Trafficking","Disorders of Developmental Biology","Post-translational protein modification",Mit
otic,"Infectious disease","Transmission across Chemical Synapses","Abacavir transport and metabolism","Cytokine Signaling in Immune system","Cellular responses to stress","Metabolism of non-coding RNA
","Disorders of transmembrane transporters","Signaling by GPCR","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Generic Transcription Pathway","trans-Golgi Networ
k Vesicle Budding","Disorders of Nervous System Development",SUMOylation,"M Phase","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Abacavir transmembrane tran
sport","Interferon Signaling","Cellular response to hypoxia","Phospholipid metabolism","snRNP Assembly","SLC transporter disorders","GPCR ligand binding","Biosynthesis of DPA-derived SPMs","Regulation
 of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional regulation by RUNX2","Golgi Associated Vesicle Biogenesis","Pervasive developmental disorders","Transcriptional regulation by RUNX3","SU
MO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation b
y TP53","Interferon gamma signaling","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Glycerophospholipid biosynthesis","Bile acid and bil
e salt metabolism","Defective SLC6A2 causes orthostatic intolerance (OI)","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Biosynthesis of DPAn
-3 SPMs","Activation of gene expression by SREBF (SREBP)","RUNX2 regulates bone development","Loss of function of MECP2 in Rett syndrome","RUNX3 Regulates Immune Response and Cell Migration","SUMOylat
ion of intracellular receptors","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Regulation of TP53 Activity","Biosynthes
is of maresins","Synthesis of PC","Synthesis of bile acids and bile salts","Peptide ligand-binding receptors","Nucleotide-like (purinergic) receptors","Recycling of bile acids and salts","Biosynthesis
 of DPAn-3-derived protectins and resolvins","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to 5mC-DNA","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammat
ory cytokines production","Activation of AMPK downstream of NMDARs","Regulation of TP53 Activity through Acetylation","Biosynthesis of maresin-like SPMs","Synthesis of bile acids and bile salts via 7a
lpha-hydroxycholesterol","Tachykinin receptors bind tachykinins","Adenosine P1 receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{HDAC2,HMGCR,ITGAL,NR1I2}

> <broad_moa>
{"HMGCR inhibitor"}

> <synonyms>
{DSSTox_RID_75788,DSSToxRID75788,DSSTox-RID-75788,"DSSTox RID 75788",lovastatin,DSSTox_GSID_20784,DSSToxGSID20784,DSSTox-GSID-20784,"DSSTox GSID 20784",Liposcler,"6 alpha-Methylcompactin","6 alphaMeth
ylcompactin",Rextat,"Monakolin K","Mevacor (TN)",CHEMBL503,"Lovastatin & Primycin","Lovastatin (USP/INN)",SR-05000001880,SR05000001880,"BRN 3631989","Mevinolin from Aspergillus sp.",CCRIS,T1207,100103
38,SAM002589963,1503977,Prestw-516,Lovastatin,CPD000673570,LOVASTATIN}

> <pdid>
PD003114

> <targets>
{Autophagy,Ferroptosis,HMG-CoA Reductase (HMGCR)}

> <classes>
{antihyperlipidemic,HMGCoA reductase inhibitor,Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{53232}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 32  0  0  1  0            999 V2000
    2.5987   -1.5004    0.0000 C   0  0  2  0  0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
    2.7343   -2.9815    0.0000 O   0  0
    4.2010   -3.2956    0.0000 C   0  0  1  0  0  0
    4.9531   -1.9978    0.0000 C   0  0  2  0  0  0
    3.9511   -0.8815    0.0000 C   0  0  1  0  0  0
    4.2566    0.5871    0.0000 O   0  0
    6.4451   -1.8434    0.0000 O   0  0
    4.8054   -4.6666    0.0000 C   0  0
    3.9196   -5.8781    0.0000 O   0  0
    4.5250   -7.2514    0.0000 P   0  0
    6.0162   -7.4132    0.0000 O   0  0
    3.6391   -8.4629    0.0000 O   0  0
    4.2446   -9.8362    0.0000 P   0  0
    5.1305   -8.6258    0.0000 O   0  0
    3.3587  -11.0477    0.0000 O   0  0
    3.9642  -12.4210    0.0000 C   0  0
    3.0783  -13.6326    0.0000 C   0  0
    3.6838  -15.0058    0.0000 N   0  3
    2.7984  -16.2167    0.0000 C   0  0
    5.1750  -15.1676    0.0000 C   0  0
    4.2895  -16.3781    0.0000 C   0  0
    5.7358   -9.9980    0.0000 O   0  5
    5.4109   -6.0410    0.0000 O   0  5
    8.9458   -7.4392    0.0000 Na  0  3
  1  2  1  1
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  6  9  1  0
  1 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  1  1  0
 13 14  1  6
 12 15  1  6
 11 16  1  1
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 21 30  1  0
 18 31  1  0
M  CHG  4  26   1  30  -1  31  -1  32   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11639

> <plate>
PLATE 009

> <well>
E9

> <supplier_cmpd_name>
Citicoline sodium

> <ctcr_id>
11027

> <supplier_cmpd_id>
T1208

> <smiles>
[C@@H]1(n2c(=O)nc(cc2)N)O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OCC[N+](C)(C)C)[O-])[O-].[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"CITICOLINE SODIUM",33818-15-4,33818154,"IP 302 sodium","Citicoline sodium salt",CDP-choline,CDPcholine,UNII-7XQ5AKD9YD,UNII7XQ5AKD9YD,citicoline,7XQ5AKD9YD,"Citicoline sodium (USAN)",MLS000028567,MF
CD00150508,CDP-cholin,CDPcholin,SMR000058983,DSSTox_CID_25760,DSSToxCID25760,DSSTox-CID-25760,"DSSTox CID 25760",DSSTox_RID_81103,DSSToxRID81103,DSSTox-RID-81103,"DSSTox RID 81103",DS,T1208,"Citicolin
e sodium"}

> <pdid>

> <targets>
{phosphatidylcholine}

> <classes>
{Others}

> <pubchem_cids>
{36605}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 34  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0  2  0  0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0  1  0  0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0  2  0  0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0  2  0  0  0
    7.7999   -1.5000    0.0000 O   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3992    0.0004    0.0000 O   0  0
   16.7973   -1.8762    0.0000 C   0  0
   15.4982   -1.1262    0.0000 C   0  0
   15.4982    0.3738    0.0000 C   0  0
   16.7964    1.1269    0.0000 N   0  0
   16.7943    2.6277    0.0000 C   0  0
   15.4926    3.3733    0.0000 N   0  0
   15.4874    4.8733    0.0000 C   0  0
   16.7839    5.6278    0.0000 C   0  0
   18.0855    4.8823    0.0000 C   0  0
   18.0907    3.3823    0.0000 C   0  0
   19.3946    2.6391    0.0000 C   0  0
   19.4025    1.1391    0.0000 O   0  0
   20.6899    3.3955    0.0000 O   0  0
   14.1992    1.1238    0.0000 C   0  0
   12.9001    0.3738    0.0000 C   0  0
   12.9001   -1.1262    0.0000 C   0  0
   14.1992   -1.8762    0.0000 C   0  0
   14.1992   -3.3770    0.0000 C   0  0
   12.9006   -4.1279    0.0000 F   0  0
   15.4985   -4.1266    0.0000 F   0  0
   14.1999   -4.8770    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 16 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 15  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11640

> <plate>
PLATE 009

> <well>
E10

> <supplier_cmpd_name>
Flunixin meglumin

> <ctcr_id>
1863

> <supplier_cmpd_id>
T1209

> <smiles>
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"FLUNIXIN MEGLUMINE",42461-84-7,42461847,"Flunixin meglumin",Banamine,"Sch 14714 meglumine",Flumeglumine,Flunixin-S,FlunixinS,"Flunixin N-methylglucanine","Flunixin Nmethylglucanine","Flunixin (meglu
mine)",UNII-8Y3JK0JW3U,UNII8Y3JK0JW3U,8Y3JK0JW3U,CHEBI:76144,"Banamine (Veterinary)",SMR000875279,T1209,1505113}

> <pdid>

> <targets>
{}

> <classes>
{analgesic,antiinflammatory}

> <pubchem_cids>
{91885371,39212}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 10  0  0  0  0            999 V2000
   10.2000    0.3750    0.0000 Na  0  3
    7.7000    0.3750    0.0000 Na  0  3
    2.6000   -1.5000    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3011   -0.7502    0.0000 O   0  0
    1.3000    0.7500    0.0000 P   0  0
    1.3000    2.2500    0.0000 O   0  0
    0.0011    1.5002    0.0000 O   0  5
    0.0007    0.0004    0.0000 O   0  0
    3.9000    0.7500    0.0000 P   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.1989    1.5002    0.0000 O   0  5
    5.1992    0.0004    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  2  0
  4 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  2  0
M  CHG  4   1   1   2   1   8  -1  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11641

> <plate>
PLATE 009

> <well>
E11

> <supplier_cmpd_name>
Sodium etidronate

> <ctcr_id>
3258

> <supplier_cmpd_id>
T1210

> <smiles>
[Na+].[Na+].CC(O)([P](O)([O-])=O)[P](O)([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW86,"7414-83-7 (DISODIUM)","7414837 (DISODIUM)","sodium (1-hydroxyethane-1,1-diyl)bis(hydrogen phosphonate)","sodium (1hydroxyethane1,1diyl)bis(hydrogen phosphonate)",BCP9000614,Didronel,SCHEMBL1
515049,AKOS015892741,"Etidronate disodium",7414-83-7,7414837,"Sodium etidronate","Disodium etidronate","Sodium ethidronate","Sodium ethydron",T1210,1505537,Prestw-863,"ETIDRONATE DISODIUM","Etidronic 
acid, disodium salt"}

> <pdid>

> <targets>
{}

> <classes>
{"bone resorption inhibitor"}

> <pubchem_cids>
{42608872,78759292,23894}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    2.6000   -1.5000    0.0000 N   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.1992    0.0004    0.0000 O   0  0
    1.2761   -0.7669    0.0000 C   0  0
    1.2773   -2.2669    0.0000 O   0  0
   16.7947   -4.0542    0.0000 O   0  0
   17.4024   -2.6828    0.0000 C   0  0
   18.8940   -2.5239    0.0000 O   0  0
   16.5192   -1.4725    0.0000 C   0  0
   16.9827   -0.0459    0.0000 C   0  0
   15.7692    0.8357    0.0000 C   0  0
   14.5557   -0.0459    0.0000 N   0  0
   15.0192   -1.4725    0.0000 C   0  0
   13.8077   -2.3536    0.0000 C   0  0
   12.5942   -1.4719    0.0000 C   0  0
   13.0577   -0.0453    0.0000 C   0  0
   12.1751    1.1654    0.0000 C   0  0
   12.7835    2.5365    0.0000 O   0  0
   10.6827    1.0071    0.0000 C   0  0
    9.7973    2.2180    0.0000 C   0  0
    8.3060    2.0567    0.0000 C   0  0
    7.7000    0.6846    0.0000 C   0  0
    8.5853   -0.5263    0.0000 C   0  0
   10.0766   -0.3650    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  2  7  1  0
  7  8  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 12  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 15  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11642

> <plate>
PLATE 009

> <well>
F2

> <supplier_cmpd_name>
Toradol

> <ctcr_id>
4162

> <supplier_cmpd_id>
T1212

> <smiles>
NC(CO)(CO)CO.OC(=O)C1CCn2c1ccc2C(=O)c3ccccc3

> <pd_targets>
{CDC42,RAC1}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{RESTW92,Lixidol,Acular,Dolac,CHEBI:6130,HMS3649A22,AKOS015961616,AC-23357,AC23357,A838010,"Ketorolac tromethamine","Ketorolac tris salt",74103-07-4,74103074,Toradol,"Ketorolac (tromethamine salt)","A
cular LS","Ketorolac tromethamine salt","Acular PF",Acuvail,Ketorolac,T1212,SAM001246596,1503925,Prestw-929,CPD000058461,"KETOROLAC TROMETHAMINE"}

> <pdid>
PD010012

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{45357356,84003}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 39  0  0  1  0            999 V2000
    9.3245   -6.2288    0.0000 Na  0  3
    0.1208  -14.7861    0.0000 C   0  0
    1.5715  -14.4045    0.0000 C   0  0
    1.9675  -12.9569    0.0000 N   0  0
    0.9103  -11.8929    0.0000 C   0  0
    1.3031  -10.4452    0.0000 C   0  0
    2.7533  -10.0615    0.0000 N   0  0
    3.1434   -8.6123    0.0000 C   0  0
    4.5929   -8.2262    0.0000 O   0  0
    2.0841   -7.5492    0.0000 N   0  0
    2.4742   -6.0999    0.0000 C   0  0  1  0  0  0
    1.4149   -5.0368    0.0000 C   0  0
   -0.0346   -5.4229    0.0000 O   0  0
    1.8050   -3.5876    0.0000 N   0  0
    0.7500   -2.5287    0.0000 C   0  0  1  0  0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.3101    2.0064    0.0000 C   0  0
    1.3100    2.0066    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0  1  0  0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -0.7500   -2.5287    0.0000 C   0  0
   -1.8107   -3.5893    0.0000 O   0  0
   -2.6375    0.8602    0.0000 C   0  0
   -3.7540   -0.1415    0.0000 O   0  5
   -2.9472    2.3279    0.0000 O   0  0
    3.9244   -5.7137    0.0000 C   0  0
    4.3169   -4.2658    0.0000 C   0  0
    5.7669   -3.8817    0.0000 C   0  0
    6.8245   -4.9454    0.0000 C   0  0
    6.4322   -6.3932    0.0000 C   0  0
    4.9822   -6.7773    0.0000 C   0  0
    3.8105  -11.1257    0.0000 C   0  0
    5.2607  -10.7421    0.0000 O   0  0
    3.4177  -12.5733    0.0000 C   0  0
    4.4749  -13.6374    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 11 10  1  1
 11 12  1  0
 12 13  2  0
 12 14  1  0
 15 14  1  6
 15 16  1  0
 16 17  1  6
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  1  0
 23 15  1  0
 23 24  2  0
 21 25  1  1
 25 26  1  0
 25 27  2  0
 11 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
  7 34  1  0
 34 35  2  0
 34 36  1  0
 36  4  1  0
 36 37  2  0
M  CHG  2   1   1  26  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11643

> <plate>
PLATE 009

> <well>
F3

> <supplier_cmpd_name>
Piperacillin sodium salt

> <ctcr_id>
5878

> <supplier_cmpd_id>
T1213

> <smiles>
[Na+].CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)c4ccccc4)C(=O)C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"PIPERACILLIN SODIUM",59703-84-3,59703843,"PIPERACILLIN SODIUM SALT","Sodium piperacillin","Piperacillin (sodium)",UNII-M98T69Q7HP,UNIIM98T69Q7HP,MLS000069533,CHEBI:8233,M98T69Q7HP,SMR000058579,"CL 2
27,193",T-1220,T1220,Pentcillin,"Pipracil Sterile",Cl-227193,Cl227193,1-carboxami,1carboxami,SAM002264643,Prestw-755,CPD000058579,"Piperacillin sodium salt"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23666879}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    9.5862   -3.2909    0.0000 C   0  0
    8.1609   -2.8234    0.0000 C   0  0
    7.8525   -1.3573    0.0000 N   0  0
    8.8523   -0.2390    0.0000 C   0  0
    8.0978    1.0574    0.0000 C   0  0
    6.6317    0.7404    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
    0.0000    3.0008    0.0000 S   0  0
   -1.2993    3.7504    0.0000 N   0  0
    1.2985    3.7517    0.0000 O   0  0
   -0.0007    4.5008    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 14 20  1  0
 20 21  1  0
 20 22  2  0
 20 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11644

> <plate>
PLATE 009

> <well>
F4

> <supplier_cmpd_name>
Levosulpiride

> <ctcr_id>
2109

> <supplier_cmpd_id>
T1211

> <smiles>
CCN1CCCC1CNC(=O)c2cc(ccc2OC)[S](N)(=O)=O

> <pd_targets>
{CA9,DRD2,CYP1A2,CYP2D6,DRD4,DRD3,CA2,CA1,CYNT,NCE103,1272966,DRD1,DRD5,CA12,CA5A,BLM,CA7,CA3,CA6,CA15,MAPT,CA4,MTCA1,CA5B,MTCA2,ADRA2A,HTR2A,HTR2B,HTR2C,RORC,LMNA,MPO,TSHR,ADRA1A,ADRA1B,ADRA1D}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein",Lyase,"Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Cytochrome P45
0 family 2","Monoamine receptor","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Dopamine receptor","Cytochrome P450 1A1","Cytochrome P450 2D6","Adrenergic receptor","Transcription factor","O
ther nuclear protein","Nuclear receptor",Oxidoreductase,"Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Glycohormone receptor"
,"Serotonin receptor","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Carbonic anhydrases","G protein-coupled receptors","Cytochrome P450","Dopamine receptors","CYP1 family","CYP2 family: drug metabolising subset",Adrenoceptors,"Nuclear hormone recep
tors","1.-.-.- Oxidoreductases","1F. Retinoic acid-related orphans","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Signal Transduction",Metabolism,"Transport of small molecules","Immune System","DNA Repair","Neuronal System","Cellular responses to stress","Signaling by GP
CR","Biological oxidations","O2/CO2 exchange in erythrocytes","Cytokine Signaling in Immune system","Reversible hydration of carbon dioxide","DNA Double-Strand Break Repair","Transmission across Chemi
cal Synapses","Cellular response to hypoxia","GPCR ligand binding","Phase I - Functionalization of compounds","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins","Homo
logy Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Regulation of gene expression by Hypoxia-inducible Factor","Class A/1 (Rhodopsin-like receptors)","Cytochrome P
450 - arranged by substrate type","Interleukin-12 family signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events"
,"Amine ligand-binding receptors",Xenobiotics,"Interleukin-12 signaling","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events","Dopamine receptors","Aromatic amines can b
e N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Homologous DNA Pairing and Strand Exchange","Activ
ation of AMPK downstream of NMDARs",Adrenoceptors,"Presynaptic phase of homologous DNA pairing and strand exchange","Gene expression (Transcription)","Cell Cycle",Disease,"RNA Polymerase II Transcript
ion",Mitotic,"Innate Immune System","Infectious disease","Generic Transcription Pathway","M Phase","ROS and RNS production in phagocytes","Leishmania infection","Transcriptional regulation by RUNX3","
Mitotic Metaphase and Anaphase","Events associated with phagocytolytic activity of PMN cells","Leishmania parasite growth and survival","RUNX3 Regulates Immune Response and Cell Migration","Mitotic An
aphase","Anti-inflammatory response favouring Leishmania parasite infection","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelop
e (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{RESTW5,sulpiride,15676-16-1,15676161,Sulpyrid,Sulpirid,Aiglonyl,Dolmatil,Dogmatil,(+/-)-Sulpiride,(+/)Sulpiride,Dobren,Guastil,(RS)-(+/-)-sulpiride,(RS)(+/)sulpiride,Dogmatyl,Mirbanil,Misulvan,Sursum
id,Abilit,Eglonyl,Meresa,Miradol,Neogama,Omperan,Splotin,Coolspan,Pyrkappl,Sernevin,N-((1-ethy,N((1ethy,T1211,T1201,Prestw-56,Levosulpiride,Sulpiride}

> <pdid>
PD000494

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5355}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 31  0  0  0  0            999 V2000
   15.1876   -3.0043    0.0000 H   0  3
   12.6876   -3.0043    0.0000 H   0  3
   10.1876   -3.0043    0.0000 Cl  0  5
    7.6876   -3.0043    0.0000 Cl  0  5
    3.8756   -9.7579    0.0000 C   0  0
    3.8808   -8.2579    0.0000 N   0  0
    5.1824   -7.5124    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5976   -6.0017    0.0000 F   0  0
    0.0003   -6.0004    0.0000 F   0  0
   -1.2983   -6.7508    0.0000 F   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 13  1  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
  9 31  1  0
 31 32  1  0
 32  6  1  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11645

> <plate>
PLATE 009

> <well>
F5

> <supplier_cmpd_name>
Trifluoperazine dihydrochloride

> <ctcr_id>
3119

> <supplier_cmpd_id>
T1222

> <smiles>
[H+].[H+].[Cl-].[Cl-].CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1

> <pd_targets>
{NS3,SIGMAR1,LMNA,MAPT,ALDH1A1,CHRM1,THPO,CYP2D6,CYP1A2,ADRA1A,ADRA1B,ADRA1D,NFKB1,FFP,CYP3A4,NFO,DRD2,HTR2C,CHRM2,HRH1,HTR2A,CHRM3,DRD4,HTR1A,CALM,POLB,GMNN,TPR,ADRA2A,HTR7,HTR6,ADRA2C,WDR48,GUSB,ATP
2A1,ERG2,LEF,ABCB1,EBP,CALM1,KMT2A,MEN1,CYP2C19,MAPK1,ALB,DRD3,EBPL,ALOX15,TP53,LYZ1,HTR2B,HSD17B10,PDR5,ADRA2B,TSHR,PRKCZ,USP1,RAD52,SCN1A,SCN2A,SCN3A,KDM4E,RORC,NPSR1,HTT,PMP22,MTOR,PRKDC,KCNH2,CALY
,S100A4}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Other cytosolic protein","Unclassified protein",Transporter,"Epigenetic regulator","Secreted protein","Transcription factor","Ion channel",Protease
,Oxidoreductase,"Family A G protein-coupled receptor","Cytochrome P450",Transferase,Hydrolase,"Primary active transporter",Isomerase,Reader,Kinase,"Voltage-gated ion channel",Eraser,"Nuclear receptor"
,"Serine protease","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","P-type ATPase","Metallo protease","ATP-binding cassette",
Bromodomain,"Protein Kinase","Peptide receptor (family A GPCR)","Cysteine protease","Voltage-gated sodium channel","Lysine demethylase","Nuclear hormone receptor subfamily 1","Potassium channels","Ser
ine protease PA clan","Monoamine receptor","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Calcium ATPase","Metallo protease MAE clan","ABCB subfamily","Cytochrome
 P450 family 2C","CMGC protein kinase group","Glycohormone receptor","AGC protein kinase group","Cysteine protease CA clan","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","
Short peptide receptor (family A GPCR)","Atypical protein kinase group","Voltage-gated potassium channel","Serine protease S29 family","Acetylcholine receptor","Cytochrome P450 2D6","Cytochrome P450 1
A1","Adrenergic receptor","Cytochrome P450 3A4","Dopamine receptor","Serotonin receptor","Histamine receptor","Metallo protease M34 family","Cytochrome P450 2C19","CMGC protein kinase MAPK family","AG
C protein kinase PKC family","Cysteine protease C19 family","Nuclear hormone receptor subfamily 1 group F member 3","Neuropeptide receptor","Atypical protein kinase PIKK family","CMGC protein kinase E
RK1","AGC protein kinase PKC iota subfamily","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,Transporters,"Ion channels","Sigma receptors","G protein-coupled receptors","Cytochrome P450","P-type ATPases","ATP-binding cassette transporter family","Kin
ases (EC 2.7.x.x)","Eicosanoid turnover","Chromatin modifying enzymes","Nuclear hormone receptors","Voltage-gated ion channels","Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising s
ubset","CYP1 family","CYP3 family","Dopamine receptors","5-Hydroxytryptamine receptors","Histamine receptors",Adrenoceptors,"P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","ABCB subfamily","CMGC: Contai
ning CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"Glycoprotein hormone receptors","AGC: Containing PKA",PKG,"PKC families","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","Neurope
ptide S receptor",Atypical,"Potassium channels","Mitogen-activated protein kinases (MAP kinases)","Protein kinase C (PKC) family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Volta
ge-gated potassium channels","ERK subfamily","Iota subfamily","FRAP subfamily","Other PIKK family kinases"}

> <pathway_reactome>
{Disease,"Cell Cycle","Neuronal System",Metabolism,"Signal Transduction",Hemostasis,"Immune System","DNA Repair","Gene expression (Transcription)","Developmental Biology","Muscle contraction","Infecti
ous disease",Mitotic,"Transmission across Chemical Synapses","Biological oxidations","Signaling by GPCR","Platelet activation","signaling and aggregation","Cytokine Signaling in Immune system","Metabo
lism of lipids","Base Excision Repair","Diseases of signal transduction by growth factor receptors and second messengers","Diseases of metabolism","Platelet homeostasis","Abacavir transport and metabo
lism","Innate Immune System","Cell Cycle Checkpoints","Metabolism of amino acids and derivatives","Signaling by Nuclear Receptors","DNA Double-Strand Break Repair","RNA Polymerase II Transcription","N
ervous system development","Cardiac conduction","SARS-CoV Infections","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","GPCR ligan
d binding","Platelet Aggregation (Plug Formation)","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","Resolution of Abasic Sites (AP sites)","Mitotic G1 phase and
 G1/S transition","Leishmania infection","Signaling by PDGFR in disease","Diseases of carbohydrate metabolism","Platelet calcium homeostasis","Uptake and actions of bacterial toxins","Abacavir transme
mbrane transport","Metabolism of steroids","Toll-like Receptor Cascades","G1/S DNA Damage Checkpoints","Branched-chain amino acid catabolism","ESR-mediated signaling","Homology Directed Repair","Gener
ic Transcription Pathway","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Cytosolic sensors of pathogen-associated DNA","Phase 3 - rapid repolarisation","Potential therapeutics for S
ARS","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","
Interleukin-1 family signaling","Biosynthesis of DHA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G1/S Transition","Leishmania parasite growth and surv
ival","Signaling by cytosolic PDGFRA and PDGFRB fusion proteins",Mucopolysaccharidoses,"Reduction of cytosolic Ca++ levels","Uptake and function of anthrax toxins","Cholesterol biosynthesis","Toll Lik
e Receptor 5 (TLR5) Cascade","Bile acid and bile salt metabolism","Biosynthesis of DPA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Extra-nuclear estrogen signaling","HDR through Homologo
us Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Transcriptional Regulation by MECP2","Transcriptional Regulation by TP53","STING mediated induction of h
ost immune responses","Mitotic Anaphase","Post NMDA receptor activation events","Amine ligand-binding receptors",Xenobiotics,"Interleukin-1 signaling","Biosynthesis of maresins","PCNA-Dependent Long P
atch Base Excision Repair","Activation of the pre-replicative complex","Anti-inflammatory response favouring Leishmania parasite infection","MPS VII - Sly syndrome","Cholesterol biosynthesis via desmo
sterol","MyD88 cascade initiated on plasma membrane","Recycling of bile acids and salts","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response","Estrogen-stimulated signaling through PRK
CZ","HDR through Single Strand Annealing (SSA)","RUNX3 Regulates Immune Response and Cell Migration","Regulation of MECP2 expression and activity","Regulation of TP53 Activity","IRF3-mediated inductio
n of type I IFN","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealky
lated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Dopamine receptors","Serotonin receptors","Histamine receptors",Adrenoceptors,"ADORA2B mediated anti-
inflammatory cytokines production","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins and resolvins",
"Stabilization of p53","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Ras activation upon Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear 
events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADRA1A,CALM1,CALY,DRD2,DRD4,HRH1,HTR2A,HTR2C,S100A4,TNNC1}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{RESTW31,"Trifluoperazine dihydrochloride",440-17-5,440175,"Trifluoperazine hydrochloride","Trifluoperazine 2HCl",Stelazine,Terfluzine,"Trifluoperazine HCl",Triphthazine,Eskazinyl,Jatroneural,Triftazi
n,Tryptazine,Trazine,Fluoperazine,Eskazine,Trifluoroperazin,1500591,Prestw-313,"TRIFLUOPERAZINE HYDROCHLORIDE"}

> <pdid>
PD003626

> <targets>
{}

> <classes>
{antipsychotic}

> <pubchem_cids>
{66064,15301951,25137853}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 38  0  0  1  0            999 V2000
   10.0504    0.2739    0.0000 Na  0  3
    6.3888   -3.2190    0.0000 O   0  0
    5.3265   -4.2780    0.0000 C   0  0  1  0  0  0
    3.8775   -3.8868    0.0000 C   0  0
    2.8152   -4.9458    0.0000 O   0  0
    3.4909   -2.4366    0.0000 N   0  0
    2.0479   -2.0470    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 S   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.2447    3.1359    0.0000 N   0  0
   -6.2484    4.2507    0.0000 N   0  0
   -5.4984    5.5497    0.0000 N   0  0
   -4.0312    5.2378    0.0000 N   0  0
   -2.9123    6.2341    0.0000 C   0  0
   -3.2151    7.7040    0.0000 S   0  0
   -4.6389    8.1760    0.0000 O   0  5
   -2.0947    8.7014    0.0000 O   0  0
   -3.5184    9.1730    0.0000 O   0  0
    5.7131   -5.7282    0.0000 C   0  0
    4.6525   -6.7891    0.0000 C   0  0
    5.0409   -8.2379    0.0000 C   0  0
    6.4898   -8.6260    0.0000 C   0  0
    7.5504   -7.5653    0.0000 C   0  0
    7.1620   -6.1164    0.0000 C   0  0
  3  2  1  6
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  8  1  0
 13 14  1  0
 14  7  1  0
 14 15  2  0
 12 16  1  0
 16 17  1  0
 16 18  2  0
 11 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 21  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 27 30  2  0
  3 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
M  CHG  2   1   1  28  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11646

> <plate>
PLATE 009

> <well>
F6

> <supplier_cmpd_name>
Cefonicid sodium

> <ctcr_id>
5443

> <supplier_cmpd_id>
T1228

> <smiles>
[Na+].O[C@@H](C(=O)NC1[C@H]2SCC(=C(N2C1=O)C(O)=O)CSc3nnnn3C[S]([O-])(=O)=O)c4ccccc4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS2093N05,1505474,"CEFONICID SODIUM"}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{45006143}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    8.4874   -2.8188    0.0000 O   0  0
    7.8797   -4.1902    0.0000 C   0  0
    8.7639   -5.4019    0.0000 O   0  0
    6.3873   -4.3492    0.0000 C   0  0
    5.5026   -3.1368    0.0000 S   0  0
    4.0102   -3.2959    0.0000 C   0  0
    3.1255   -2.0835    0.0000 C   0  0
    3.7332   -0.7121    0.0000 O   0  0
    1.6332   -2.2426    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 S   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 14 15  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11647

> <plate>
PLATE 009

> <well>
F7

> <supplier_cmpd_name>
Erdosteine

> <ctcr_id>
5923

> <supplier_cmpd_id>
T1229

> <smiles>
OC(=O)CSCC(=O)NC1CCSC1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"mucolytic agent"}

> <synonyms>
{Edirel,Erdosteine,84611-23-4,84611234,"RV 144","2-((2-Oxo-2-((2-oxotetrahydrothiophen-3-yl)amino)ethyl)thio)acetic acid","2((2Oxo2((2oxotetrahydrothiophen3yl)amino)ethyl)thio)acetic acid",105426-14-0
,105426140,NCGC00185774-01,NCGC0018577401,"2-(2-oxo-2-((2-oxothiolan-3-yl)amino)ethyl)sulfanylacetic acid","2(2oxo2((2oxothiolan3yl)amino)ethyl)sulfanylacetic acid","Acetic acid",((2-oxo-2-((tetrahydr
o-2-oxo-3,((2oxo2((tetrahydro2oxo3,T1229,S1825}

> <pdid>
PD001293

> <targets>
{Others,Bacterial,NF-ºB}

> <classes>
{Others,Anti-infection,NF-ºB}

> <pubchem_cids>
{65632}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    5.1065    0.0000    0.0000 Br  0  0
   10.2072    0.3754    0.0000 C   0  0
    8.9072    1.1254    0.0000 C   0  0
    7.6079    0.3758    0.0000 O   0  0
   10.2072   -1.1246    0.0000 C   0  0
   11.5061   -0.3748    0.0000 C   0  0
   11.5065    1.1250    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  1  1  0
  7  8  2  0
  6  9  1  0
  3 10  1  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13  1  1  0
 12 14  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 15 19  1  0
 15 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11648

> <plate>
PLATE 009

> <well>
F8

> <supplier_cmpd_name>
Pamabrom

> <ctcr_id>
11029

> <supplier_cmpd_id>
T1230

> <smiles>
c12c(n(c(=O)n(c1=O)C)C)nc([nH]2)Br.C(CO)(C)(C)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{diuretic}

> <synonyms>
{PAMABROM,606-04-2,606042,"Pamabrom (USAN:USP)",UNII-UA8U0KJM72,UNIIUA8U0KJM72,UA8U0KJM72,"606-04-2 (salt)","606042 (salt)","8-Bromotheophylline 2-Amino-2-methyl-1-propanol","8Bromotheophylline 2Amino
2methyl1propanol","2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione","2amino2methylpropan1ol;8bromo1,3dimethyl7Hpurine2,6dione","2-Amino-2-methylpropanol 8-bromotheophy","2Amino2me
thylpropanol 8bromotheophy",T1230,Pamabrom}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{11806}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  1  0            999 V2000
    1.0161   -3.6157    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 C   0  0  2  0  0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
    2.6394    0.8543    0.0000 C   0  0
    3.7533   -0.1515    0.0000 C   0  0
    3.5751   -1.6281    0.0000 C   0  0
    4.9433   -2.2430    0.0000 N   0  0
    5.9509   -1.1317    0.0000 C   0  0
    5.2054    0.1699    0.0000 N   0  0
    5.8121    1.5417    0.0000 C   0  0
    9.7508    0.0876    0.0000 O   0  0
    9.7508   -1.4124    0.0000 N   0  3
    8.4516   -2.1620    0.0000 O   0  5
   11.0501   -2.1620    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  7  8  2  0
  4  9  1  6
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 10  1  0
 14 15  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
M  CHG  2  17   1  18  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11649

> <plate>
PLATE 009

> <well>
F9

> <supplier_cmpd_name>
Pilocarpine nitrate

> <ctcr_id>
701

> <supplier_cmpd_id>
T1231

> <smiles>
CC[C@H]1[C@H](COC1=O)Cc2cncn2C.O[N+]([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{"Pilocarpine nitrate",148-72-1,148721,"148 72 1","Pilocarpine nitrate salt","Pilocarpine (nitrate)",UNII-M20T465H6J,UNIIM20T465H6J,"UNII M20T465H6J","Pilocarpine nitrate (USP)",MLS000069669,Pilagan,P
ilofrin,M20T465H6J,MFCD00078497,SM,T1231,1500487,Prestw-449,"PILOCARPINE NITRATE"}

> <pdid>
PD007685

> <targets>
{}

> <classes>
{"antiglaucoma agent",miotic}

> <pubchem_cids>
{657349}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4978    0.0000 C   0  0
   -3.8991    0.7455    0.0000 N   0  0
   -3.8934   -0.7554    0.0000 C   0  0
   -2.5913   -1.5017    0.0000 C   0  0
   -2.5857   -3.0025    0.0000 N   0  0
   -1.2844   -3.7485    0.0000 C   0  0
   -3.8822   -3.7570    0.0000 C   0  0
   -5.2003    1.4933    0.0000 C   0  0
   -5.2076    2.9933    0.0000 C   0  0
   -6.5102    3.7370    0.0000 C   0  0
   -7.8056    2.9808    0.0000 C   0  0
   -7.7984    1.4808    0.0000 C   0  0
   -6.4958    0.7371    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  8 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  6 20  1  0
 20 21  2  0
 21  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11650

> <plate>
PLATE 009

> <well>
F10

> <supplier_cmpd_name>
Pyrilamine maleate

> <ctcr_id>
7330

> <supplier_cmpd_id>
T1232

> <smiles>
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1

> <pd_targets>
{HRH1,HRH4,CYP2C19,CHRM1,CYP2D6,ADORA3,KMT2A,MEN1,TSHR,LMNA,KCNH2,CYP3A4,CYP1A2,ALDH1A1,PMP22,BLM,AMPC,HTR2C,HTR2B,SLC6A4,HTR2A,ADRA2A,SIGMAR1,SLC6A3}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Epigenetic regulator","Other nuclear protein","Ion channel","Unclassified protein",Transporter,"Family A G protein-coupled receptor","Cytochrome P450",Reader,"Voltage-gate
d ion channel",Oxidoreductase,Hydrolase,"Electrochemical transporter","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2",Bromodomain,"Peptide receptor (family A GPCR)","Potassium cha
nnels","Cytochrome P450 family 3","Cytochrome P450 family 1","SLC superfamily of solute carriers","Monoamine receptor","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Nucleotide-like receptor
 (family A GPCR)","Glycohormone receptor","Voltage-gated potassium channel","Cytochrome P450 family 3A","Cytochrome P450 family 1A","SLC06 neurotransmitter transporter family","Histamine receptor","Cy
tochrome P450 2C19","Acetylcholine receptor","Cytochrome P450 2D6","Adenosine receptor","Cytochrome P450 3A4","Cytochrome P450 1A1","Serotonin receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"Other protein targets","G protein-coupled receptors","Cytochrome P450","Voltage-gated ion channels","SLC superfamily of solute carriers","Sigma receptor
s","Histamine receptors","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","Adenosine receptors","Glycoprotein hormone receptors","Potassium channels","CYP3 family","CYP1 
family","5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"Voltage-gated potassium channels","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Cell Cycle","Muscle contraction","Developmental Biology","DNA Repair","Neuronal System","Signaling by GPCR","Biological oxidations","Infectious disease",Mito
tic,"Cardiac conduction","Metabolism of lipids","Nervous system development","DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Disorders of transmembrane transporters","GPCR li
gand binding","Phase I - Functionalization of compounds","Leishmania infection","M Phase","Phase 3 - rapid repolarisation","Biosynthesis of specialized proresolving mediators (SPMs)","EGR2 and SOX10-m
ediated initiation of Schwann cell myelination","Homology Directed Repair","Neurotransmitter clearance","SARS-CoV Infections","SLC transporter disorders","Class A/1 (Rhodopsin-like receptors)","Cytoch
rome P450 - arranged by substrate type","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","HDR through Homologous Recomb
ination (HRR) or Single Strand Annealing (SSA)","Serotonin clearance from the synaptic cleft","Potential therapeutics for SARS","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Amine
 ligand-binding receptors",Xenobiotics,"Nucleotide-like (purinergic) receptors","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Biosynthesis of maresins","HDR 
through Homologous Recombination (HRR)","Histamine receptors","CYP2E1 reactions","Muscarinic acetylcholine receptors","Adenosine P1 receptors","ADORA2B mediated anti-inflammatory cytokines production"
,"Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Homologous DNA Pairing and Strand Exchange","Serotonin recep
tors",Adrenoceptors,"Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{pyrilamine,Mepyramine,Pyranisamine,91-84-9,91849,Anthisan,Dorantamin,Mepiramine,Kriptin,Antalergan,Antallergan,Histapyran,Neoantergan,Anhistabs,Anhistol,Antamine,Copsamine,Coradon,Harvamine,Histacap,
Histalon,Histasan,Maranhist,Mepyren,Nyscaps,Paraminyl,Py,S4382,"Pyrilamine Maleate"}

> <pdid>
PD009551

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{4992}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.7124   -4.0030    0.0000 O   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -1.6105   -5.2165    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  2  0
 17 18  1  0
 18 19  2  0
 19  3  1  0
 19 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11651

> <plate>
PLATE 009

> <well>
F11

> <supplier_cmpd_name>
Oxolinic acid

> <ctcr_id>
6279

> <supplier_cmpd_id>
T1233

> <smiles>
CCN1C=C(C(O)=O)C(=O)c2cc3OCOc3cc12

> <pd_targets>
{APEX1,HSD17B10,TDP1,HPGD,ALDH1A1,IMPA1,CHRM1,CYP1A2,KDM4E}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator",Oxidoreductase,Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450",Eraser,"Small molecule receptor (family A GPCR)","Cytochrome P450 fa
mily 1","Lysine demethylase","Monoamine receptor","Cytochrome P450 family 1A","Jumonji domain-containing","Acetylcholine receptor","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Inositol phosphate turnover","G protein-coupled receptors","Cytochrome P450","Chromatin modifying enzymes","Prostaglandin synthases","Inositol monophosphatase
","Acetylcholine receptors (muscarinic)","CYP1 family","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"DNA Repair",Metabolism,"Signal Transduction","Base Excision Repair","Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Metabolism of lipids","Biological oxidations","Inosi
tol phosphate metabolism","Signaling by GPCR","Resolution of Abasic Sites (AP sites)","Branched-chain amino acid catabolism","Nonhomologous End-Joining (NHEJ)","Biosynthesis of specialized proresolvin
g mediators (SPMs)","Phase I - Functionalization of compounds","Synthesis of IP2",IP,"and Ins in the cytosol","GPCR ligand binding","Resolution of AP sites via the multiple-nucleotide patch replacemen
t pathway","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","PCNA-Dependent Long Patch Base Excision Repair"
,"Biosynthesis of D-series resolvins","Amine ligand-binding receptors",Xenobiotics,"Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{RESTW19,"oxolinic acid",14698-29-4,14698294,Nidantin,Dioxacin,Emyrenil,Prodoxal,Prodoxol,Utibid,Gramurin,Oksaren,Oxolinic,Ossian,Uroxol,"Acide oxolinique",Uritrate,Urotrate,Oxoboi,Pietil,Starner,Ulti
bid,"Acido oxolinico",Uro-alvar,Uroalvar,"Acidum oxolinicum",5-Ethyl-8,5Ethyl8,T1233,1502030,Prestw-193,"Oxolinic acid","OXOLINIC ACID"}

> <pdid>
PD002639

> <targets>
{Antibiotic,Bacterial,DNA/RNA Synthesis}

> <classes>
{antibacterial,Anti-infection,Cell Cycle/DNA Damage}

> <pubchem_cids>
{4628}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 28  0  0  0  0            999 V2000
   13.3061    0.1027    0.0000 Cl  0  0
   10.8058    3.9580    0.0000 C   0  0
   10.1976    2.5869    0.0000 C   0  0
    8.7053    2.4269    0.0000 C   0  0
    8.0978    1.0574    0.0000 C   0  0
    6.6317    0.7404    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8525   -1.3573    0.0000 N   0  0
    8.1608   -2.8252    0.0000 C   0  0
    8.8523   -0.2391    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6060   -2.9986    0.0000 C   0  0
    1.3096   -3.7531    0.0000 C   0  0
    3.9075   -3.7444    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 S   0  0
    1.3032    3.7490    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10  5  1  0
  7 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 18  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11652

> <plate>
PLATE 009

> <well>
G2

> <supplier_cmpd_name>
Lincomycin hydrochloride monohydrate

> <ctcr_id>
2885

> <supplier_cmpd_id>
T1235

> <smiles>
Cl.CCCC1CC(N(C)C1)C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O

> <pd_targets>
{ALB,RPLJ,AMPC}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of steroids","Bile acid and bile salt metabolism","Recycling of bile acids and salts"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial 30S ribosomal subunit inhibitor"}

> <synonyms>
{AKOS026750075,A841491,Lincomix,859-18-7,859187,Frademicina,"Lincomycin (hydrochloride hydrate)","Lincomix 20",Lincolcina,Lincocin,"Pura Ject 100","Lincolnensin, hydrochloride",U-10149A,U10149A,"Antib
iotic 124a, hydrochloride","U 10149a",MFCD00083647,NSC,T1277,T1235,S2479,"Lincomycin hydrochloride","Lincomycin hydrochloride monohydrate","Lincomycin HCl"}

> <pdid>
PD013336

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{53395255,21872023}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 39  0  0  1  0            999 V2000
   19.6061   -1.7611    0.0000 O   0  0
   17.1061   -1.7611    0.0000 O   0  0
   14.6061   -1.7611    0.0000 O   0  0
   12.1061   -1.7611    0.0000 Na  0  3
    9.6061   -1.7611    0.0000 Na  0  3
    7.0592   -0.7054    0.0000 C   0  0
    5.9990   -1.7665    0.0000 O   0  0
    6.3872   -3.2163    0.0000 N   0  0
    5.3265   -4.2780    0.0000 C   0  0
    5.7190   -5.7266    0.0000 C   0  0
    4.6611   -6.7899    0.0000 O   0  0
    7.1696   -6.1118    0.0000 N   0  0
    7.5606   -7.5546    0.0000 C   0  0  1  0  0  0
    8.8583   -8.3022    0.0000 C   0  0
   10.3583   -8.3008    0.0000 S   0  0
   11.1095   -9.5991    0.0000 C   0  0
   10.3607  -10.8988    0.0000 C   0  0
    8.8607  -10.9002    0.0000 C   0  0
    8.1095   -9.6019    0.0000 N   0  0
    6.8118   -8.8543    0.0000 C   0  0
    5.3633   -9.2439    0.0000 O   0  0
    8.1142  -12.2022    0.0000 C   0  0
    8.8672  -13.4995    0.0000 O   0  0
    6.6142  -12.2062    0.0000 O   0  5
   11.1150  -12.1964    0.0000 C   0  0
   12.6158  -12.1928    0.0000 S   0  0
   13.3701  -13.4903    0.0000 C   0  0
   12.6214  -14.7902    0.0000 N   0  0
   13.3726  -16.0885    0.0000 C   0  0
   12.6239  -17.3882    0.0000 O   0  0
   14.8726  -16.0871    0.0000 C   0  0
   15.6214  -14.7873    0.0000 N   0  0
   14.8701  -13.4890    0.0000 N   0  0
   15.6189  -12.1892    0.0000 C   0  0
   15.6239  -17.3854    0.0000 O   0  5
    3.8759   -3.8928    0.0000 C   0  0
    3.3536   -2.5003    0.0000 C   0  0
    1.8560   -2.5852    0.0000 S   0  0
    1.4739   -4.0357    0.0000 C   0  0
    0.0758   -4.5792    0.0000 N   0  0
    2.7354   -4.8473    0.0000 N   0  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 13 12  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 14  1  0
 19 20  1  0
 20 13  1  0
 20 21  2  0
 18 22  1  0
 22 23  2  0
 22 24  1  0
 17 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  3
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  2  3
 32 33  1  0
 33 27  1  0
 33 34  1  0
 31 35  1  0
  9 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 41 36  1  0
M  CHG  4   4   1   5   1  24  -1  35  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11653

> <plate>
PLATE 009

> <well>
G3

> <supplier_cmpd_name>
Ceftriaxone sodium

> <ctcr_id>
2284

> <supplier_cmpd_id>
T1223

> <smiles>
O.O.O.[Na+].[Na+].CO\N=C(\C(=O)N[C@H]1C2SCC(=C(N2C1=O)C(=O)[O-])CSC3=NC(=O)C(=NN3C)[O-])/c4csc(N)n4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"CEFTRIAXONE SODIUM TRIHYDRATE",SPECTRUM1503111,SPECTRUM1505365,HMS1922F14,HMS1922G03,HMS2092L04,CCG-213113,CCG213113,T1223,1503111,"Ceftriaxone sodium"}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{16667691}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  1  0            999 V2000
    9.6061   -1.4363    0.0000 Na  0  3
    7.0592   -0.7054    0.0000 C   0  0
    5.9990   -1.7665    0.0000 O   0  0
    6.3872   -3.2163    0.0000 N   0  0
    5.3265   -4.2780    0.0000 C   0  0
    3.8775   -3.8868    0.0000 C   0  0
    2.8152   -4.9458    0.0000 O   0  0
    3.4909   -2.4366    0.0000 N   0  0
    2.0479   -2.0470    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  5
   -3.8983   -0.7459    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 O   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.1937    3.0092    0.0000 N   0  0
   -3.8912    5.2570    0.0000 O   0  0
    5.7131   -5.7282    0.0000 C   0  0
    7.1061   -6.2493    0.0000 O   0  0
    7.0226   -7.7470    0.0000 C   0  0
    5.5724   -8.1304    0.0000 C   0  0
    4.7596   -6.8697    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  6
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 10  1  0
 15 16  1  0
 16  9  1  0
 16 17  2  0
 14 18  1  0
 18 19  1  0
 18 20  2  0
 13 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
  5 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  2  0
M  CHG  2   1   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11654

> <plate>
PLATE 009

> <well>
G4

> <supplier_cmpd_name>
Cefuroxime sodium

> <ctcr_id>
1651

> <supplier_cmpd_id>
T1224

> <smiles>
[Na+].CO\N=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C([O-])=O)COC(N)=O)\c3occc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW72,90013-55-1,90013551,"CEFUROXIME SODIUM",Anaptivan,Biociclin,"Cefuroxime sodium salt",Zinacef,"Sodium cefuroxime",56238-63-2,56238632,"Cefuroxime (sodium)",Sharox,UNII-R8A7M9MY61,UNIIR8A7M9MY6
1,Cefumax,Cefurex,Medoxim,Kesint,CHEBI:3517,R8A7M9MY61,Colifossim,Spectrazolr,Bioxima,T1224,Prestw-720,"Cefuroxime sodium"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{101675044,23670318}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  0  0            999 V2000
    7.0592   -0.7054    0.0000 C   0  0
    5.9990   -1.7665    0.0000 O   0  0
    6.3872   -3.2163    0.0000 N   0  0
    5.3265   -4.2780    0.0000 C   0  0
    5.7190   -5.7266    0.0000 C   0  0
    4.6611   -6.7899    0.0000 O   0  0
    7.1696   -6.1118    0.0000 N   0  0
    7.5606   -7.5546    0.0000 C   0  0
    8.8583   -8.3022    0.0000 C   0  0
   10.3583   -8.3008    0.0000 S   0  0
   11.1095   -9.5991    0.0000 C   0  0
   10.3607  -10.8988    0.0000 C   0  0
    8.8607  -10.9002    0.0000 C   0  0
    8.1095   -9.6019    0.0000 N   0  0
    6.8118   -8.8543    0.0000 C   0  0
    5.3633   -9.2439    0.0000 O   0  0
    8.1142  -12.2022    0.0000 C   0  0
    6.6142  -12.2062    0.0000 O   0  0
    8.8676  -13.5002    0.0000 O   0  0
    8.1211  -14.8022    0.0000 C   0  0
    6.6211  -14.8062    0.0000 C   0  0
    8.8746  -16.1002    0.0000 O   0  0
    8.1281  -17.4022    0.0000 C   0  0
    6.6281  -17.4062    0.0000 C   0  0
    8.8811  -18.6994    0.0000 O   0  0
   11.1150  -12.1964    0.0000 C   0  0
   12.6158  -12.1928    0.0000 O   0  0
   13.3701  -13.4903    0.0000 C   0  0
   12.6236  -14.7914    0.0000 N   0  0
   14.8701  -13.4868    0.0000 O   0  0
    3.8759   -3.8928    0.0000 C   0  0
    3.3536   -2.5003    0.0000 O   0  0
    1.8560   -2.5852    0.0000 C   0  0
    1.4739   -4.0357    0.0000 C   0  0
    2.7354   -4.8473    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14  9  1  0
 14 15  1  0
 15  8  1  0
 15 16  2  0
 13 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 12 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
  4 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 31  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11655

> <plate>
PLATE 009

> <well>
G5

> <supplier_cmpd_name>
Cepazine

> <ctcr_id>
2630

> <supplier_cmpd_id>
T1227

> <smiles>
CO\N=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OC(C)OC(C)=O)COC(N)=O)/c3occc3

> <pd_targets>
{ABCC4,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA}

> <pathway_gtopdb>
{Transporter,Enzyme,"Primary active transporter",Protease,"ATP-binding cassette","Serine protease","ABCC subfamily","Serine protease SE clan","Serine protease S11 family"}

> <pathway_chembl>
{Transporters,"ATP-binding cassette transporter family","ABCC subfamily"}

> <pathway_reactome>
{Hemostasis,"Platelet activation","signaling and aggregation","Response to elevated platelet cytosolic Ca2+","Platelet degranulation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{"cefuroxime axetil",64544-07-6,64544076,C20H22N4O10S,HMS2093A20,Pharmakon1600-01504175,Pharmakon160001504175,NSC758677,CCG-213274,CCG213274,NSC-758677,AS-14135,AS14135,K039,AB00053386_02,AB0005338602
,AB00053386-02,"AB00053386 02",SR-05000001889,SR05000001889,SR-05000001889-1,SR050000018891,BRD-A36322567-001-01-6,BRDA36322567001016,T1227,1504175,Cepazine,"CEFUROXIME AXETIL"}

> <pdid>
PD001246

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{13371699}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 99102  0  0  0  0            999 V2000
   -2.9709   -5.6674    0.0000 C   0  0
   -1.8198   -4.7056    0.0000 C   0  0
   -0.4103   -5.2210    0.0000 C   0  0
   -0.1524   -6.6986    0.0000 C   0  0
    0.7332   -4.2656    0.0000 C   0  0
    2.6932   -4.5790    0.0000 C   0  0
    3.4328   -3.2741    0.0000 O   0  0
    3.6574   -5.7281    0.0000 N   0  0
    5.1353   -5.4670    0.0000 C   0  0
    5.6491   -4.0569    0.0000 C   0  0
    4.6849   -2.9078    0.0000 O   0  0
    7.1271   -3.7958    0.0000 N   0  0
    7.6408   -2.3856    0.0000 C   0  0
    9.1188   -2.1245    0.0000 C   0  0
   10.0830   -3.2736    0.0000 O   0  0
    9.6325   -0.7144    0.0000 N   0  0
   11.1105   -0.4533    0.0000 C   0  0
   11.6243    0.9569    0.0000 C   0  0
   13.1015    1.2171    0.0000 O   0  0
   10.6601    2.1060    0.0000 N   0  0
   11.1738    3.5161    0.0000 C   0  0
   10.2097    4.6652    0.0000 C   0  0
   10.7225    6.0748    0.0000 O   0  0
    8.7317    4.4041    0.0000 N   0  0
    7.7675    5.5532    0.0000 C   0  0
    6.2896    5.2921    0.0000 C   0  0
    5.7758    3.8819    0.0000 C   0  0
    4.2979    3.6208    0.0000 C   0  0
    3.7841    2.2107    0.0000 C   0  0
    2.3062    1.9496    0.0000 C   0  0
    1.3420    3.0986    0.0000 O   0  0
    1.7924    0.5394    0.0000 N   0  0
    0.3144    0.2783    0.0000 C   0  0
   -0.1993   -1.1318    0.0000 C   0  0
   -1.6766   -1.3921    0.0000 O   0  0
    0.7649   -2.2809    0.0000 N   0  0
   -0.6479    1.4300    0.0000 C   0  0
   -0.1326    2.8396    0.0000 C   0  0
   -1.0949    3.9913    0.0000 C   0  0
   -0.5799    5.4001    0.0000 N   0  0
    4.3003    0.8014    0.0000 N   0  0
    5.7787    0.5429    0.0000 C   0  0
    6.7409    1.6936    0.0000 O   0  0
    6.2949   -0.8664    0.0000 C   0  0
    5.7870   -2.2786    0.0000 C   0  0
    4.3107   -2.5442    0.0000 C   0  0
    6.7553   -3.4253    0.0000 C   0  0
    6.2476   -4.8368    0.0000 C   0  0
    7.7733   -1.1249    0.0000 N   0  0
    8.2895   -2.5341    0.0000 C   0  0
    7.3274   -3.6849    0.0000 O   0  0
    9.7679   -2.7926    0.0000 C   0  0
   11.0679   -2.0426    0.0000 C   0  0
   12.3679   -2.7926    0.0000 C   0  0
   13.6679   -2.0426    0.0000 C   0  0
   14.9672   -2.7922    0.0000 O   0  0
   13.6679   -0.5426    0.0000 O   0  0
    9.2575   -4.2040    0.0000 N   0  0
   10.2239   -5.3523    0.0000 C   0  0
   11.7006   -5.0893    0.0000 O   0  0
   10.2270   -6.8532    0.0000 C   0  0
    8.9300   -7.6085    0.0000 C   0  0
    8.9348   -9.1093    0.0000 C   0  0
    7.6386   -9.8643    0.0000 C   0  0
   10.2364   -9.8548    0.0000 C   0  0
   11.5278   -7.6017    0.0000 N   0  0
   12.8269   -6.8503    0.0000 C   0  0
   12.8253   -5.3503    0.0000 O   0  0
   14.1277   -7.5988    0.0000 C   0  0
   15.4795   -6.9787    0.0000 C   0  0
   16.4825   -8.0940    0.0000 N   0  0
   15.7317   -9.3926    0.0000 C   0  0
   14.2647   -9.0798    0.0000 S   0  0
   16.3374  -10.7630    0.0000 C   0  0
   15.4527  -11.9753    0.0000 C   0  0
   16.0591  -13.3473    0.0000 C   0  0
   13.9613  -11.8150    0.0000 C   0  0
   17.8288  -10.9233    0.0000 N   0  0
   12.6524    3.7737    0.0000 C   0  0
   13.1695    5.1826    0.0000 C   0  0
   14.6473    5.4400    0.0000 O   0  0
   12.2081    6.3340    0.0000 N   0  0
   12.4087   -1.2064    0.0000 C   0  0
   12.4066   -2.7072    0.0000 C   0  0
   13.7041   -3.4599    0.0000 O   0  0
   11.1062   -3.4549    0.0000 O   0  0
    6.6737   -1.2379    0.0000 C   0  0
    5.1961   -1.5006    0.0000 C   0  0
    5.0531   -0.0203    0.0000 C   0  0
    3.5848    0.2865    0.0000 N   0  0
    2.8393   -1.0151    0.0000 C   0  0
    3.8469   -2.1263    0.0000 N   0  0
    6.0977   -6.6187    0.0000 C   0  0
    5.5824   -8.0283    0.0000 C   0  0
    6.5425   -9.1808    0.0000 C   0  0
    6.0246  -10.5885    0.0000 C   0  0
    4.5465  -10.8439    0.0000 C   0  0
    3.5863   -9.6915    0.0000 C   0  0
    4.1042   -8.2837    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36  5  1  0
 33 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 29 41  1  0
 41 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 45 46  1  0
 45 47  1  0
 47 48  1  0
 44 49  1  0
 49 50  1  0
 50 51  2  0
 50 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  2  0
 55 57  1  0
 52 58  1  0
 58 59  1  0
 59 60  2  0
 59 61  1  0
 61 62  1  0
 62 63  1  0
 63 64  1  0
 63 65  1  0
 61 66  1  0
 66 67  1  0
 67 68  2  0
 67 69  1  0
 69 70  1  0
 70 71  1  0
 71 72  2  3
 72 73  1  0
 73 69  1  0
 72 74  1  0
 74 75  1  0
 75 76  1  0
 75 77  1  0
 74 78  1  0
 21 79  1  0
 79 80  1  0
 80 81  2  0
 80 82  1  0
 17 83  1  0
 83 84  1  0
 84 85  2  0
 84 86  1  0
 13 87  1  0
 87 88  1  0
 88 89  2  3
 89 90  1  0
 90 91  2  3
 91 92  1  0
 92 88  1  0
  9 93  1  0
 93 94  1  0
 94 95  2  3
 95 96  1  0
 96 97  2  3
 97 98  1  0
 98 99  2  3
 99 94  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11656

> <plate>
PLATE 009

> <well>
G6

> <supplier_cmpd_name>
Bacitracin

> <ctcr_id>
5321

> <supplier_cmpd_id>
T1226

> <smiles>
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CN=C(S2)C(C(C)C)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS3652A22,S4146,Bacitracin}

> <pdid>
PD055709

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{78161633}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 39  0  0  1  0            999 V2000
   13.3506   -0.2280    0.0000 C   0  0
   12.5979    1.0695    0.0000 C   0  0
   11.0971    1.0674    0.0000 C   0  0
   10.3516   -0.2343    0.0000 C   0  0
    8.8516   -0.2395    0.0000 C   0  0
    7.8525   -1.3573    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.6317    0.7404    0.0000 C   0  0
    8.0971    1.0569    0.0000 C   0  0
    8.8426    2.3586    0.0000 C   0  0
   10.3426    2.3638    0.0000 C   0  0
   11.0858    3.6677    0.0000 C   0  0
   10.3294    4.9630    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0  2  0  0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   17.1510    2.4817    0.0000 O   0  0
   17.1510    0.9817    0.0000 C   0  0
   15.8517    0.2321    0.0000 O   0  0
   18.4510    0.2317    0.0000 C   0  0
   19.7510    0.9817    0.0000 C   0  0
   19.7524    2.4825    0.0000 C   0  0
   18.4538    3.2333    0.0000 O   0  0
   21.0517    3.2321    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  2  0
  9 10  1  0
 10 11  2  0
 11  3  1  0
 11 12  1  0
 12 13  1  0
  7 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  3
 28 29  1  0
 29 18  1  0
 29 23  2  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11657

> <plate>
PLATE 009

> <well>
G7

> <supplier_cmpd_name>
Indacaterol maleate

> <ctcr_id>
7388

> <supplier_cmpd_id>
T1239

> <smiles>
CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c3ccc(O)c4NC(=O)C=Cc34.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{753498-25-8,"Arcapta Neohaler","Indacaterol (maleate)",UNII-2JEC1ITX7R,Onbrez,2JEC1ITX7R,QAB149-AFA,QAB-149-AFA,CHEBI:68573,"753498-25-8 (malate)","Indacaterol maleate (USAN)","QAB 149AFA","Oslif Bre
ezhaler","Onbrez Breezhaler","Hirobriz Breezhaler","QAB-149 maleate","Arcapta neohaler (TN)","Onbrez Inhalation Capsules","Indacaterol Maleic Acid Salt",SCHEMBL523627,CHEMBL1789842,"Indacaterol maleat
e (JAN/USAN)",HMS3885O07,C24H28N2O3.C4H4O4,2474AH,HY-14299A,MFCD20526769,CCG-269764,AC-30121,AK163936,AS-10152,AB0073003,I0927,S3083,D09319,Q-4501,Q27137018,"Indacaterol Maleate"}

> <pdid>

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{9827599}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3032    3.7490    0.0000 C   0  0
    1.2946    3.7531    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
  6 13  1  0
 13 14  1  0
 13 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11658

> <plate>
PLATE 009

> <well>
G8

> <supplier_cmpd_name>
Altretamine

> <ctcr_id>
2557

> <supplier_cmpd_id>
T1241

> <smiles>
CN(C)c1nc(nc(n1)N(C)C)N(C)C

> <pd_targets>
{THRB,CHRM1,CYP1A2,NS1,LMNA,CREBBP,HSD17B10}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor",Enzyme,"Unclassified protein","Other nuclear protein","Epigenetic regulator","Nuclear receptor","Family A G protein-coupled receptor","Cytochrome P450",Writ
er,Oxidoreductase,"Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Histone acetyltransferase","Nuclear hormone receptor subfamily 1 group A"
,"Monoamine receptor","Cytochrome P450 family 1A","p300/CBP family","Nuclear hormone receptor subfamily 1 group A member 2","Acetylcholine receptor","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","G protein-coupled receptors","Cytochrome P450","Bromodomain-containing proteins","1A. Thyroid hormone receptors","Acetylcholine 
receptors (muscarinic)","CYP1 family","Non-enzymatic BRD containing proteins"}

> <pathway_reactome>
{"Metabolism of proteins","Signal Transduction",Metabolism,"Cell Cycle","Gene expression (Transcription)","Post-translational protein modification","Signaling by GPCR","Biological oxidations",Mitotic,
"RNA Polymerase II Transcription","Metabolism of amino acids and derivatives",SUMOylation,"GPCR ligand binding","Phase I - Functionalization of compounds","M Phase","Generic Transcription Pathway","Br
anched-chain amino acid catabolism","SUMO E3 ligases SUMOylate target proteins","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","
Transcriptional Regulation by TP53","SUMOylation of intracellular receptors","Amine ligand-binding receptors",Xenobiotics,"Mitotic Anaphase","TP53 Regulates Transcription of Cell Death Genes","Muscari
nic acetylcholine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","TP53 Regulates Transcription of Genes Involved in Cytochrome C Relea
se","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{"Altretamine (USP/INN)",altretamine,645-05-6,645056,HEXAMETHYLMELAMINE,Hexalen,Hexastat,Hemel,"2,4,6-Tris(dimethylamino)-1,3,5-triazine","2,4,6Tris(dimethylamino)1,3,5triazine","Melamine, hexamethyl-
","Melamine, hexamethyl",Altretaminum,Altretamina,"Altretaminum (INN-Latin)","Altretaminum (INNLatin)",N2,N4,N6,N6-hexamethyl-1,N6hexamethyl1,3,5-t,5t,T1241,13875,SAM002564241,1503065,Prestw-946,"NSC 
13875",Altretamine,CPD000058181,ALTRETAMINE}

> <pdid>
PD001093

> <targets>
{DNA Alkylator/Crosslinker}

> <classes>
{antineoplastic,Alkylating agent,Cell Cycle/DNA Damage}

> <pubchem_cids>
{2123}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  1  0            999 V2000
   -0.0047   -7.5072    0.0000 C   0  0
   -1.3035   -8.2577    0.0000 O   0  0
   -0.0043   -6.0064    0.0000 C   0  0
    1.2952   -5.2556    0.0000 N   0  0
    1.2956   -3.7547    0.0000 C   0  0
   -0.0034   -3.0048    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5030    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8935   -3.7569    0.0000 C   0  0
    3.8914   -5.2577    0.0000 N   0  0
    5.1879   -6.0122    0.0000 C   0  0
    5.1828   -7.5122    0.0000 C   0  0  1  0  0  0
    3.8812   -8.2578    0.0000 C   0  0  2  0  0  0
    2.5847   -7.5034    0.0000 C   0  0
    2.5898   -6.0034    0.0000 C   0  0
    2.5624   -8.9724    0.0000 C   0  0
    4.8556   -9.3726    0.0000 C   0  0
    4.3710  -10.7922    0.0000 C   0  0
    5.3581  -11.9217    0.0000 C   0  0
    6.8298  -11.6315    0.0000 C   0  0
    7.3143  -10.2120    0.0000 C   0  0
    6.3273   -9.0825    0.0000 C   0  0
    4.8735  -13.3412    0.0000 O   0  0
    6.4793   -8.2666    0.0000 C   0  0
    1.2943   -8.2572    0.0000 O   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  7 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 19 22  1  1
 19 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 25 29  1  0
 18 30  1  6
  1 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11659

> <plate>
PLATE 009

> <well>
G9

> <supplier_cmpd_name>
Alvimopan

> <ctcr_id>
11030

> <supplier_cmpd_id>
T1242

> <smiles>
C(=O)(CNC(=O)[C@@H](Cc1ccccc1)CN1C[C@@H]([C@](CC1)(C)c1cc(ccc1)O)C)O

> <pd_targets>
{OPRK1,OPRM1,OPRD1,KCNE1,KCNQ1,CACNA1C}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Family A G protein-coupled receptor","Voltage-gated ion channel","Peptide receptor (family A GPCR)","Potassium channels","Voltage-gated calcium channel","Short pept
ide receptor (family A GPCR)","Voltage-gated potassium channel","Opioid receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Opioid receptors","Voltage-gated calcium channels"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","Developmental Biology","RNA Polymerase II Transcription","Signaling by GPCR","Nervous system development","Generic Transcription Pathway","GPC
R downstream signalling","GPCR ligand binding","Axon guidance","Transcriptional Regulation by MECP2","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","NCAM signaling for neurite 
out-growth","MECP2 regulates neuronal receptors and channels","Opioid Signalling","Peptide ligand-binding receptors","NCAM1 interactions","G-protein activation"}

> <broad_targets>
{OPRD1,OPRK1,OPRM1}

> <broad_moa>
{"opioid receptor antagonist"}

> <synonyms>
{Alvimopan,156053-89-3,156053893,"Alvimopan anhydrous","Adl 8-2698","Adl 82698",Entereg,LY246736,UNII-Q153V49P3Z,UNIIQ153V49P3Z,Q153V49P3Z,"LY-246736 dihydrate","LY246736 dihydrate",C25H32N2O4,"LY 246
736","anhydrous alvimopan","Alvimopan (INN)",ADL-8-2698,ADL82698,trans-3,trans3,"4-dimethyl-4-(3-hydroxyphenyl) piperidi","4dimethyl4(3hydroxyphenyl) piperidi",T1242}

> <pdid>
PD009306

> <targets>
{"¦Ì-opioid receptor"}

> <classes>
{Endocrinology/Hormones,"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{5488548}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  1  0            999 V2000
    5.1422   -5.3703    0.0000 C   0  0
    4.1252   -6.4729    0.0000 C   0  0
    4.5720   -7.9048    0.0000 O   0  0
    2.6611   -6.1428    0.0000 O   0  0
    2.2141   -4.7101    0.0000 C   0  0
    0.7500   -4.3800    0.0000 C   0  0
   -0.2670   -5.4825    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
   -0.6870   -2.7320    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  1  6
 24 22  1  6
 24 13  1  0
 24 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28  8  1  0
 28 12  1  0
 28 29  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11660

> <plate>
PLATE 009

> <well>
G10

> <supplier_cmpd_name>
Hydrocortisone acetate

> <ctcr_id>
196

> <supplier_cmpd_id>
T1243

> <smiles>
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

> <pd_targets>
{HIF1A,SERPINA6,LMNA,AMPC,NR3C1}

> <pathway_gtopdb>
{"Transcription factor","Secreted protein","Other nuclear protein",Enzyme,Hydrolase,"Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear ho
rmone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"Cell Cycle","Gene expression (Transcription)","Cellular responses to stress","Metabolism of lipids",Mitotic,"RNA Polymerase II Transcription","Cel
lular response to hypoxia","Metabolism of steroids","M Phase","Generic Transcription Pathway","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Metabolism of steroid hormones
","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Glucocorticoid biosynthesis","Mitotic Anaphase","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Nucl
ear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{"hydrocortisone acetate",50-03-3,50033,"Cortisol 21-acetate","Cortisol 21acetate",Cortell,"Hydrocortisone 21-acetate","Hydrocortisone 21acetate",Cortifoam,"Cortisol acetate",Lanacort,"Cortef acetate"
,Cortacream,Hydrocortisat,Abbocort,Bambicort,Biocortar,Chemysone,Cortaid,Epifoam,Hydrosone,Pabrac,T1243,SAM002264618,Prestw-1486,"Hydrocortisone acetate",CPD000653536}

> <pdid>
PD002303

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5744}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.9076    1.7290    0.0000 C   0  0
    4.0317    0.7359    0.0000 N   0  0
    5.4979    1.0528    0.0000 C   0  0
    6.2524   -0.2436    0.0000 N   0  0
    5.2526   -1.3618    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.5609   -2.8279    0.0000 N   0  3
    4.4437   -3.8288    0.0000 O   0  5
    6.9862   -3.2954    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16  8  2  0
 16 12  1  0
  5 17  1  0
 17 18  1  0
 17 19  2  0
M  CHG  2  17   1  18  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11661

> <plate>
PLATE 009

> <well>
G11

> <supplier_cmpd_name>
Azathioprine

> <ctcr_id>
539

> <supplier_cmpd_id>
T1237

> <smiles>
Cn1cnc(c1Sc2[nH]cnc3ncnc23)[N+]([O-])=O

> <pd_targets>
{HBB,BLM,LMNA,CHRM1,TP53,MAPT,PMP22,FFP,CYP3A4,GMNN,TGR,PPAT,RAC1}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,"Other nuclear protein","Membrane receptor","Transcription factor","Other cytosolic protein","Unclassified protein","Family A G protein-coupled receptor",Transferase,"Cytoch
rome P450",Hydrolase,"Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Monoamine receptor","Cytochrome P450 family 3A","Acetylcholine receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Peptidases and proteinases","Acetylcholine receptors (muscarinic)","CYP3 family","PB: Threonine (T) Peptidases","C44: Phosphoribosyl
 pyrophosphate amidotransferase"}

> <pathway_reactome>
{"Immune System","DNA Repair","Cell Cycle","Signal Transduction","Neuronal System","Developmental Biology",Metabolism,"Innate Immune System","DNA Double-Strand Break Repair",Mitotic,"Signaling by GPCR
","Cell Cycle Checkpoints","Transmission across Chemical Synapses","Nervous system development","Metabolism of lipids","Metabolism of nucleotides","Neutrophil degranulation","Homology Directed Repair"
,"M Phase","GPCR ligand binding","G1/S DNA Damage Checkpoints","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosy
nthesis of specialized proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Nucleobase biosynthesis","Axon guidance","HDR through Homologous Recombination (HRR) or Single Strand Anne
aling (SSA)","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","p53-Dependent G1/S DNA damage checkpoint","Activation of NMDA receptors and postsynaptic events","Biosynthesis of 
DHA-derived SPMs","G1/S Transition","Purine ribonucleoside monophosphate biosynthesis","Semaphorin interactions","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Amine ligand-binding r
eceptors","p53-Dependent G1 DNA Damage Response","Post NMDA receptor activation events","Biosynthesis of maresins","Activation of the pre-replicative complex","Sema4D in semaphorin signaling","Homolog
ous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Stabilization of p53","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-l
ike SPMs","Sema4D mediated inhibition of cell attachment and migration","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Autodegrada
tion of the E3 ubiquitin ligase COP1"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{azathioprine,446-86-6,446866,Imuran,Azothioprine,Azathioprin,Azatioprin,Azamun,Azanin,Imurel,Azathiopurine,Azasan,Ccucol,Imurek,Muran,Rorasul,"BW 57-322","BW 57322",NSC-39084,NSC39084,BW-57-322,BW573
22,NCI-C03474,NCIC03474,6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine,6(1Methyl4nitroimidazol5yl)thiopurine,6-((1-methyl-4-nitro,6((1methyl4nitro,S1721,SAM002589938,1500133,Prestw-94,Azathioprine,CPD000
427366,AZATHIOPRINE}

> <pdid>
PD002465

> <targets>
{Others}

> <classes>
{antirheumatic,antineoplastic,Others,immunosuppressant}

> <pubchem_cids>
{2265}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 Cl  0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11662

> <plate>
PLATE 009

> <well>
H2

> <supplier_cmpd_name>
Beclamide

> <ctcr_id>
11032

> <supplier_cmpd_id>
T1249

> <smiles>
ClCCC(=O)NCc1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{anticonvulsant}

> <synonyms>
{Beclamide,501-68-8,501688,N-Benzyl-3-chloropropionamide,NBenzyl3chloropropionamide,N-Benzyl-3-chloropropanamide,NBenzyl3chloropropanamide,Chloracon,Chlorakon,Neuracen,Beclamid,Beklamid,Nidrane,Nydran
,Nydrane,Seclar,Benzchlorpropamide,Benzylamide,Posedrine,Hibicon,Chloroethylphenamide,Khlorakon,Benzchlorp,T1249}

> <pdid>
PD000707

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{10391}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 13  0  0  0  0            999 V2000
   -3.3392   -0.4276    0.0000 S   0  0
   -2.0404   -1.1781    0.0000 P   0  0
   -0.7500   -0.4330    0.0000 N   0  0
    0.7500   -0.4330    0.0000 C   0  0
    0.0000    0.8660    0.0000 C   0  0
   -2.0414   -2.6789    0.0000 N   0  0
   -1.2921   -3.8869    0.0000 C   0  0
   -2.7921   -3.8859    0.0000 C   0  0
   -2.0402    0.3227    0.0000 N   0  0
   -1.2900    1.5301    0.0000 C   0  0
   -2.7900    1.5303    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  3  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  6  1  0
  2  9  1  0
  9 10  1  0
 10 11  1  0
 11  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11663

> <plate>
PLATE 009

> <well>
H3

> <supplier_cmpd_name>
Triethylenethiophosphoramide

> <ctcr_id>
2806

> <supplier_cmpd_id>
T1250

> <smiles>
S=[P](N1CC1)(N2CC2)N3CC3

> <pd_targets>
{HBB,HPGD,LMNA,CYP3A4,CYP2B6,CYP2B1}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,"Other nuclear protein","Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 family 3A","Cytochrome P450 family 2B","Cytochrome P450 3A4"
,"Cytochrome P450 2B6","Cytochrome P450 2B1"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Cytochrome P450","Prostaglandin synthases","CYP3 family","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{"Immune System",Metabolism,"Cell Cycle","Innate Immune System","Metabolism of lipids",Mitotic,"Biological oxidations","Neutrophil degranulation","Biosynthesis of specialized proresolving mediators (S
PMs)","M Phase","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Biosynthesis of D-series 
resolvins","Mitotic Anaphase","Biosynthesis of maresins",Xenobiotics,"Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Refo
rmation"}

> <broad_targets>
{CYP2B6,CYP3A4}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{thiotepa,THIO-TEPA,THIOTEPA,52-24-4,52244,Triethylenethiophosphoramide,Thiophosphamide,Thioplex,Tiofosfamid,Tiofosyl,Thiofozil,Tespamin,Girostan,Oncotepa,Tespamine,Tiofozil,Stepa,Oncotiotepa,Thiotef,
Tifosyl,Oncothio-tepa,Oncothiotepa,TESPA,Tio-tef,Tiotef,Thio-Tep,ThioTep,Tri(aziridin-1-y,Tri(aziridin1y,T1250,6396,1503324,"NSC 6396",Thiotepa}

> <pdid>
PD000999

> <targets>
{Antibiotic,Bacterial,DNA Alkylator/Crosslinker}

> <classes>
{antineoplastic,alkylating agent,Alkylating agent,Anti-infection,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5453}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  2  0  0  0
    1.3092    5.2494    0.0000 C   0  0  1  0  0  0
    0.0127    6.0039    0.0000 N   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2088    5.9860    0.0000 N   0  0
    3.9020    3.7405    0.0000 C   0  0  2  0  0  0
    5.2008    2.9882    0.0000 O   0  0
    6.5020    3.7360    0.0000 C   0  0  1  0  0  0
    6.5021    5.2361    0.0000 O   0  0
    7.8011    5.9861    0.0000 C   0  0  2  0  0  0
    7.7980    7.4869    0.0000 C   0  0
    6.4979    8.2351    0.0000 O   0  0
    9.1002    5.2361    0.0000 C   0  0  1  0  0  0
   10.3992    5.9861    0.0000 O   0  0
    9.1002    3.7361    0.0000 C   0  0  2  0  0  0
   10.3992    2.9861    0.0000 N   0  0
    7.8011    2.9861    0.0000 C   0  0  1  0  0  0
    7.8012    1.4861    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0  1  0  0  0
    2.5953    1.4950    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  1
  7  6  1  6
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  6
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  6
 18 19  1  0
 17 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  1  6
 22 24  1  0
 24 15  1  0
 24 25  1  1
 13 26  1  0
 26  7  1  0
 26 27  1  1
  5 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  1  0
 31  3  1  0
 31 32  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11664

> <plate>
PLATE 009

> <well>
H4

> <supplier_cmpd_name>
Tobramycin

> <ctcr_id>
2256

> <supplier_cmpd_id>
T1255

> <smiles>
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O

> <pd_targets>
{REV,GAA,RPSL,CASR,FABH,GJB2}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Membrane receptor",Hydrolase,"Family C G protein-coupled receptor","Ion receptor (family C GPCR)","Calcium sensing receptor","Unclassified protein"}

> <pathway_chembl>
{Enzymes,Receptors,"3.2.1.- Glycosidases","G protein-coupled receptors","Calcium-sensing receptor","Ion channels","Other ion channels","Connexins and Pannexins"}

> <pathway_reactome>
{Disease,"Signal Transduction","Diseases of metabolism","Signaling by GPCR","Diseases of carbohydrate metabolism","GPCR downstream signalling","Glycogen storage diseases","G alpha (i) signalling event
s","Glycogen storage disease type II (GAA)","Vesicle-mediated transport","Membrane Trafficking","Gap junction trafficking and regulation","Gap junction trafficking","Gap junction assembly","Oligomeriz
ation of connexins into connexons"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial 30S ribosomal subunit inhibitor"}

> <synonyms>
{tobramycin,32986-56-4,32986564,"Nebramycin 6","3'-Deoxykanamycin B","3'Deoxykanamycin B",Tobramicin,Nebcin,Tobi,Aktob,Tobrex,"Nebramycin factor 6","Tobramycin Base","Tobi Podhaler","Nebramycin VI",Be
thkis,Tobradistin,"TOBRAMYCIN SULFATE","Deoxykanamycin B",NEBRAMYCIN,C18H37,T1255,1500579,Prestw-544,Tobramycin,TOBRAMYCIN}

> <pdid>
PD001728

> <targets>
{}

> <classes>
{"inhibits protein synthesis",antibacterial}

> <pubchem_cids>
{36294}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8056   -3.8679    0.0000 N   0  0
    3.3372   -5.2929    0.0000 C   0  0
    1.8372   -5.2877    0.0000 C   0  0
    1.3786   -3.8595    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
    2.5981    1.5000    0.0000 Cl  0  0
    6.3056   -1.8963    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  1  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  1  1  0
 12 13  1  0
  8 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11665

> <plate>
PLATE 009

> <well>
H5

> <supplier_cmpd_name>
Clonidine hydrochloride

> <ctcr_id>
11033

> <supplier_cmpd_id>
T1247

> <smiles>
c1(NC2=NCCN2)c(cccc1Cl)Cl.Cl

> <pd_targets>
{LMNA,ADRA2A,BLM,NPSR1,ADRA2B,ADRA2C,NISCH,ADRA1A,HIF1A,ADRA1B,ADRA1D,HTR7,MAOB,MAOA,IMPA1,CYP2C9,CHRM1,ADRB1,DRD2,SLC6A2,HCN1,SLC22A1,KMT2A,MEN1,CYP2D6,HCN4,HCN2,CYP2C19,HTR1A,SLC22A3,SLC47A1}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor",Enzyme,"Other cytosolic protein","Transcription factor",Transporter,"Ion channel","Epigenetic regulator","Family A G protein-coupled receptor",Oxidoreducta
se,Protease,Hydrolase,"Cytochrome P450","Electrochemical transporter","Voltage-gated ion channel",Reader,"Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cysteine protease
","Cytochrome P450 family 2","SLC superfamily of solute carriers","Cyclic nucleotide-regulated channel",Bromodomain,"Monoamine receptor","Short peptide receptor (family A GPCR)","Cysteine protease CA 
clan","Cytochrome P450 family 2C","SLC06 neurotransmitter transporter family","SLC22 family of organic cation and anion transporters","Cytochrome P450 family 2D","SLC47 family of multidrug and toxin e
xtrusion transporters","Adrenergic receptor","Neuropeptide receptor","Serotonin receptor","Cysteine protease C1A family","Cytochrome P450 2C9","Acetylcholine receptor","Dopamine receptor","Cytochrome 
P450 2D6","Cytochrome P450 2C19"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","G protein-coupled receptors","Catecholamine turnover","Inositol phosphate turnover","Cytochrome P450","SLC superfamily of solute carriers","Voltage-gate
d ion channels",Adrenoceptors,"Neuropeptide S receptor","5-Hydroxytryptamine receptors","Inositol monophosphatase","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","Dopam
ine receptors","SLC6 neurotransmitter transporter family","Cyclic nucleotide-regulated channels","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and toxin extrusion 
transporters","Monoamine transporter subfamily","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction","DNA Repair",Disease,"Cellular responses to external stimuli",Metabolism,"Neuronal System","Transport of small molecules",Mitotic,"Signaling by GPCR","DNA Double-St
rand Break Repair","Infectious disease","Cellular responses to stress","Biological oxidations","Inositol phosphate metabolism","Disorders of transmembrane transporters","Potassium Channels","SLC-media
ted transmembrane transport","M Phase","GPCR ligand binding","Homology Directed Repair","Leishmania infection","Cellular response to hypoxia","Phase I - Functionalization of compounds","Synthesis of I
P2",IP,"and Ins in the cytosol","SLC transporter disorders","HCN channels","Transport of bile salts and organic acids","metal ions and amine compounds","Mitotic Metaphase and Anaphase","Class A/1 (Rho
dopsin-like receptors)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-induc
ible Factor Alpha","Amine Oxidase reactions","Cytochrome P450 - arranged by substrate type","Defective SLC6A2 causes orthostatic intolerance (OI)","Organic cation/anion/zwitterion transport","Mitotic 
Anaphase","Amine ligand-binding receptors","HDR through Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection","Biogenic amines are oxidatively deaminated
 to aldehydes by MAOA and MAOB",Xenobiotics,"Organic cation transport","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory
 cytokines production","CYP2E1 reactions","Muscarinic acetylcholine receptors","Dopamine receptors","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homolo
gous DNA pairing and strand exchange"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{"CLONIDINE HYDROCHLORIDE",4205-91-8,4205918,"Clonidine HCl","2-(2,6-Dichloroanilino)-2-imidazoline hydrochloride","2(2,6Dichloroanilino)2imidazoline hydrochloride",Kapvay,"N-(2,6-dichlorophenyl)-4,5-
dihydro-1H-imidazol-2-amine hydrochloride","N(2,6dichlorophenyl)4,5dihydro1Himidazol2amine hydrochloride",Catapresan,ST-155,ST155,"clonidine (hydrochloride)",T1247,"Clonidine hydrochloride"}

> <pdid>
PD009910

> <targets>
{"¦Á2-adrenergic receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{20179}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -6.4971    0.7454    0.0000 C   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -7.8010    2.9932    0.0000 C   0  0
   -9.0964    0.7413    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
  8 14  1  0
 14 15  2  0
 15 16  1  0
 16  6  1  0
 16 17  2  0
 17  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11666

> <plate>
PLATE 009

> <well>
H6

> <supplier_cmpd_name>
Nabumetone

> <ctcr_id>
4397

> <supplier_cmpd_id>
T1258

> <smiles>
COc1ccc2cc(CCC(C)=O)ccc2c1

> <pd_targets>
{SMN1,MAPT,RORC,CYP3A4,LMNA,RAB9A,NPC1,TP53,KDM4E,CYP1A2,SLC6A2,MAOA,PTGS2,PTGS1}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein","Transcription factor",Enzyme,"Other nuclear protein",Transporter,Reader,"Nuclear receptor","Cytochrome P450",Hydrolase,Eraser,"Electrochemical transp
orter",Oxidoreductase,"Methyl-lysine/arginine binding protein","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Lysine demethylase","Cytochrome P450 family 1","SLC superfamily of sol
ute carriers","Tudor domain","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Jumonji domain-containing","Cytochrome P450 family 1A","SLC06 neurotransmitter transporter fami
ly","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Cytochrome P450","SLC superfamily of solute carriers","Chromatin modifying enzymes","Catecholamine turnover","Eicosanoid turnover","1F. Ret
inoic acid-related orphans","CYP3 family","SLC65 NPC-type cholesterol transporters","1.14.11.- Histone demethylases","CYP1 family","SLC6 neurotransmitter transporter family",Cyclooxygenase,"Monoamine 
transporter subfamily"}

> <pathway_reactome>
{"Metabolism of RNA","Neuronal System","Gene expression (Transcription)",Metabolism,"Cell Cycle","Signal Transduction","Transport of small molecules",Disease,"Metabolism of non-coding RNA","Transmissi
on across Chemical Synapses","RNA Polymerase II Transcription","Metabolism of lipids",Mitotic,"Signaling by Rho GTPases","Plasma lipoprotein assembly",remodeling,"and clearance","Cell Cycle Checkpoint
s","Biological oxidations","Disorders of transmembrane transporters","snRNP Assembly","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Biosynthesis of
 specialized proresolving mediators (SPMs)","M Phase","Rho GTPase cycle","Plasma lipoprotein clearance","G1/S DNA Damage Checkpoints","Phase I - Functionalization of compounds","SLC transporter disord
ers","Fatty acid metabolism","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","RHOBTB GT
Pase Cycle","LDL clearance","p53-Dependent G1/S DNA damage checkpoint","Cytochrome P450 - arranged by substrate type","Defective SLC6A2 causes orthostatic intolerance (OI)","Amine Oxidase reactions","
Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Mitotic Anaphase
","RHOBTB3 ATPase cycle","p53-Dependent G1 DNA Damage Response",Xenobiotics,"Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Biosynthesis of DPAn-3 SPMs","Synthesis of Prost
aglandins (PG) and Thromboxanes (TX)","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Aromatic amines can be N-
hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{nabumetone,42924-53-8,42924538,Relafen,4-(6-methoxynaphthalen-2-yl)butan-2-one,4(6methoxynaphthalen2yl)butan2one,Arthaxan,Nabumetona,Relifex,nabumeton,Listran,Relifen,4-(6-Methoxy-2-naphthyl)-2-butan
one,4(6Methoxy2naphthyl)2butanone,Consolan,Balmox,"Nabumetonum (INN-Latin)","Nabumetonum (INNLatin)",Nabumetonum,Nabuser,4-(6-Methoxy-2-napht,4(6Methoxy2napht,T1258,SAM002564225,1503650,Prestw-909,Nab
umetone,CPD000058835,NABUMETONE}

> <pdid>
PD000963

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{4409}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  0  0            999 V2000
   18.1031   -1.8679    0.0000 Na  0  3
    5.2029   -2.9932    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8963   -3.7531    0.0000 C   0  0
   -5.1966   -3.0054    0.0000 O   0  5
   -3.8941   -5.2531    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8003   -1.4887    0.0000 O   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0939    0.7637    0.0000 C   0  0
   10.3903    1.5181    0.0000 C   0  0
   11.6919    0.7726    0.0000 C   0  0
   11.6971   -0.7274    0.0000 C   0  0
   12.9987   -1.4729    0.0000 O   0  0
   13.0039   -2.9729    0.0000 C   0  0
   11.7075   -3.7273    0.0000 C   0  0
   10.4059   -2.9818    0.0000 C   0  0
    9.1094   -3.7363    0.0000 O   0  0
   10.4007   -1.4818    0.0000 C   0  0
   14.3047   -3.7215    0.0000 C   0  0
   15.6025   -2.9692    0.0000 O   0  5
   14.3078   -5.2215    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16  6  1  0
 16 10  2  0
 12 17  1  0
 17 18  1  0
 17 19  2  0
  3 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 22  1  0
 32 26  2  0
 28 33  1  0
 33 34  1  0
 33 35  2  0
M  CHG  3   1   1  18  -1  34  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11667

> <plate>
PLATE 009

> <well>
H7

> <supplier_cmpd_name>
Sodium cromoglycate

> <ctcr_id>
7040

> <supplier_cmpd_id>
T1260

> <smiles>
[Na+].OC(COc1cccc2OC(=CC(=O)c12)C([O-])=O)COc3cccc4OC(=CC(=O)c34)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SMR000058721,MLS000028622,MLS006012006,HMS3259J03,NC00611,T1260,SAM002589934,"Sodium cromoglycate",CPD000058721}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{657312}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 22  0  0  1  0            999 V2000
    2.2391   -0.8519    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
    0.1233   -2.3813    0.0000 C   0  0
   -1.3692   -2.5388    0.0000 N   0  0
   -2.1139   -3.8253    0.0000 C   0  0
   -3.5769   -3.4942    0.0000 C   0  0
   -3.7141   -2.0005    0.0000 N   0  0
   -2.3359   -1.4084    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0  1  0  0  0
    0.0000    1.2760    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0  1  0  0  0
   -2.0931    1.6049    0.0000 C   0  0
   -0.8796    2.4866    0.0000 C   0  0
   -0.6449    3.9681    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 S   0  0
   -0.3296   -1.9396    0.0000 O   0  0
   -2.2393   -0.8534    0.0000 O   0  0
    2.6394    0.8543    0.0000 C   0  0
    2.9538    2.3210    0.0000 O   0  0
    3.7527   -0.1510    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  4  1  0
  2  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 13 10  1  0
 13 14  2  0
 11 15  1  0
 15  2  1  0
 15 16  2  0
 15 17  2  0
  9 18  1  1
 18 19  1  0
 18 20  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11668

> <plate>
PLATE 009

> <well>
H8

> <supplier_cmpd_name>
Tazobactam acid

> <ctcr_id>
1097

> <supplier_cmpd_id>
T1262

> <smiles>
C[C@]1(Cn2ccnn2)[C@@H](N3[C@@H](CC3=O)[S]1(=O)=O)C(O)=O

> <pd_targets>
{BLA,AMPC,BCL1,BLATEM-125,BLAGES-13,IMIA,BLATEM-1,PENP,BLA(BEL1),BLAUOE-1,BLAPER-2,PENB1,BLASCO-1,BLASHV-72,BLAZ}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"beta lactamase inhibitor"}

> <synonyms>
{Tazobactam,89786-04-9,"Tazobactam acid",Tazobactamum,YTR-830H,"YTR 830H",UNII-SE10G96M8W,CHEMBL404,CL-298741,"YTR 830",CHEBI:9421,SE10G96M8W,"CL 298,741","YTR 830 H","89786-04-9 (free acid)",SR-01000
872598,"Tazobactamum (INN-Latin)",YTR830H,"CCRIS 2203",YTR830,"Tazobactam,(S)","Tazobactam (USAN:USP:INN:BAN)","Cl 298741","BRN 4787943",CL298741,"Tazobactum (Free acid)","Tazobactam;Tazobactan acid",
"EC 618-303-7",BIDD:GT0212,SCHEMBL122302,CXA201,"Tazobactam (JP17/USP/INN)",DTXSID8023634,GTPL10789,HMS3714G17,BCP09757,EX-A1377,HY-B1418,ZINC3787060,BDBM50053173,MFCD00867002,s3077,AKOS015960801,AC-7
620,CCG-207890,CS-4914,DB01606,DS-8301,A-8312,C07771,D00660,T-1445,786T049,A843310,Q423376,"Tazobactam, Antibiotic for Culture Media Use Only",SR-01000872598-1,SR-01000872598-2,"89786-04-9, 89785-84-2
 (sodium salt)",BRD-K14312455-001-01-6,T1262,Prestw-1349}

> <pdid>
PD001674

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{123630}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  1  0            999 V2000
    7.7808  -10.5183    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    5.1830  -10.5134    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0  2  0  0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0  1  0  0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    1.2948   -3.7516    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8847   -8.2572    0.0000 C   0  0
    3.8794   -9.7572    0.0000 O   0  0
    2.5880   -7.5031    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  5 20  1  0
 20 21  1  0
 20 22  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11669

> <plate>
PLATE 009

> <well>
H9

> <supplier_cmpd_name>
Ubenimex

> <ctcr_id>
728

> <supplier_cmpd_id>
T1257

> <smiles>
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O

> <pd_targets>
{ANPEP,LNPEP,LAP3,NPEPPS,LTA4H,MMP2,RNPEP,SLC15A2,LMNA,APEX1,PMP22,NPSR1,ERAP1,MAPT,GAA,LEF,BLM}

> <pathway_gtopdb>
{Enzyme,Transporter,"Other nuclear protein","Unclassified protein","Membrane receptor","Other cytosolic protein",Protease,"Electrochemical transporter","Family A G protein-coupled receptor",Hydrolase,
"Metallo protease","SLC superfamily of solute carriers","Peptide receptor (family A GPCR)","Metallo protease MAE clan","Metallo protease MF clan","Metallo protease MAM clan","Metallo protease MH clan"
,"SLC15 family of peptide transporters","Short peptide receptor (family A GPCR)","Metallo protease M1 family","Metallo protease M17 family","Metallo protease M10A subfamily","Metallo protease M28 fami
ly","Neuropeptide receptor","Metallo protease M34 family","Metallo protease M28A subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Peptidases and proteinases","SLC superfamily of solute carriers","G protein-coupled receptors","3.2.1.- Glycosidases","MA: Metallo (M) Peptidases","MF: Metallo (M) Pep
tidases","SLC15 family of peptide transporters","Neuropeptide S receptor","M1: Aminopeptidase N","M17: Leucyl aminopeptidase","M10: Matrix metallopeptidase"}

> <pathway_reactome>
{"Immune System",Metabolism,"Developmental Biology","Transport of small molecules","Cell Cycle","DNA Repair",Disease,"Neuronal System","Innate Immune System","Adaptive Immune System","Metabolism of li
pids","Nervous system development","SLC-mediated transmembrane transport",Mitotic,"Base Excision Repair","Infectious disease","Transmission across Chemical Synapses","Diseases of metabolism","Neutroph
il degranulation","Class I MHC mediated antigen processing & presentation","Biosynthesis of specialized proresolving mediators (SPMs)","Axon guidance","Transport of inorganic cations/anions and amino 
acids/oligopeptides","M Phase","Resolution of Abasic Sites (AP sites)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Leishmania infection","Neurotransmitter receptors and postsynap
tic signal transmission","Diseases of carbohydrate metabolism","Uptake and actions of bacterial toxins","Antigen processing-Cross presentation","Antigen processing: Ubiquitination & Proteasome degrada
tion","Biosynthesis of DHA-derived SPMs","EPH-Ephrin signaling","Proton/oligopeptide cotransporters","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacem
ent pathway","Leishmania parasite growth and survival","Antigen Presentation: Folding","assembly and peptide loading of class I MHC","Activation of NMDA receptors and postsynaptic events","Glycogen st
orage diseases","Uptake and function of anthrax toxins","Endosomal/Vacuolar pathway","Biosynthesis of aspirin-triggered D-series resolvins","EPH-ephrin mediated repulsion of cells","Mitotic Anaphase",
"PCNA-Dependent Long Patch Base Excision Repair","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Glycogen storage disease type II (GAA)","N
uclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation","DNA Double-Stran
d Break Repair","Homology Directed Repair","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Homologous DNA Pairing and Strand
 Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{LTA4H,RNPEP}

> <broad_moa>
{"leukotriene synthesis inhibitor"}

> <synonyms>
{BRD-K59574735-001-05-0,BRDK59574735001050,Q10909912,Bestatin,Ubenimex,58970-76-6,58970766,"(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-4-methylpentanoic acid","(S)2((2S,3R)3amino2hydroxy4phe
nylbutanamido)4methylpentanoic acid","Ubenimex (Bestatin)",UNII-I0J33N5627,UNIII0J33N5627,"N-((2S,3R)-3-Amino-2-hydroxy-4-phenylbutyryl)-L-leucine","N((2S,3R)3Amino2hydroxy4phenylbutyryl)Lleucine",MFC
D00,T1257,T3529,SAM001246806,"Bestatin hydrochloride",CPD000059165}

> <pdid>
PD003128

> <targets>
{Aminopeptidase,Antibiotic,Bacterial}

> <classes>
{Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{72172,6992132}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 20  0  0  0  0            999 V2000
   11.4915   -2.2566    0.0000 H   0  3
    8.9915   -2.2566    0.0000 Cl  0  5
   -2.6041   -2.9866    0.0000 C   0  0
   -1.3074   -3.7406    0.0000 N   0  0
   -1.3125   -5.2406    0.0000 C   0  0
   -0.0048   -2.9950    0.0000 C   0  0
    1.2926   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5030    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8934   -3.7569    0.0000 C   0  0
    5.1961   -3.0132    0.0000 C   0  0
    6.4915   -3.7695    0.0000 C   0  0
    6.4843   -5.2694    0.0000 C   0  0
    5.1817   -6.0132    0.0000 C   0  0
    3.8862   -5.2570    0.0000 N   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11670

> <plate>
PLATE 009

> <well>
H10

> <supplier_cmpd_name>
Tripelennamine hydrochloride

> <ctcr_id>
2401

> <supplier_cmpd_id>
T1269

> <smiles>
[H+].[Cl-].CN(C)CCN(Cc1ccccc1)c2ccccn2

> <pd_targets>
{LMNA,KDM4E,MAPK1,HRH1}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator",Enzyme,"Membrane receptor",Eraser,Kinase,"Family A G protein-coupled receptor","Lysine demethylase","Protein Kinase","Small molecule receptor (family A 
GPCR)","Jumonji domain-containing","CMGC protein kinase group","Monoamine receptor","CMGC protein kinase MAPK family","Histamine receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","G protein-coupled receptors","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Histamine recept
ors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Signal Transduction",Mitotic,"Innate Immune System","Signaling by GPCR","M Phase","Toll-like Receptor Cascades","GPCR ligand binding","Mitotic Metaphase and Anaphase","T
oll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin-like receptors)","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Amine ligand-binding receptors","Nuclear Envelope (NE) Reass
embly","MAP kinase activation","Histamine receptors","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{"Tripelennamine hydrochloride",154-69-8,154698,"Tripelennamine Hcl",Ahistamin,Piristin,Pyrinamine,Stanzamine,"Tripelennamine (hydrochloride)","Pyribenzamine hydrochloride","AntiAllergicum Medivet","D
ehistin monohydrochloride",Dehis,T1269,SAM001247047,Prestw-1199,CPD000058623}

> <pdid>
PD009718

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{9066,43833334,657216}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 65 72  0  0  1  0            999 V2000
    2.3980    5.1974    0.0000 C   0  0
    1.0617    4.5159    0.0000 C   0  0
   -0.2000    5.2900    0.0000 C   0  0  2  0  0  0
   -0.2341    6.7896    0.0000 O   0  0
   -0.2000    4.0900    0.0000 C   0  0
   -1.2300    3.5100    0.0000 C   0  0  2  0  0  0
   -2.2500    4.0900    0.0000 C   0  0
   -2.2500    5.2900    0.0000 N   0  0
   -3.9200    5.5000    0.0000 C   0  0
   -5.4100    4.7800    0.0000 C   0  0
   -5.7000    3.1300    0.0000 C   0  0
   -4.9700    1.7900    0.0000 C   0  0
   -6.0100    0.6800    0.0000 N   0  0
   -7.4000    1.3200    0.0000 C   0  0
   -8.8100    0.7400    0.0000 C   0  0
  -10.0200    1.6700    0.0000 C   0  0
   -9.8300    3.1800    0.0000 C   0  0
   -8.4200    3.7700    0.0000 C   0  0
   -7.2000    2.8400    0.0000 C   0  0
   -3.3800    1.2800    0.0000 C   0  0  1  0  0  0
   -1.8700    1.9700    0.0000 C   0  0
   -4.3011    0.1350    0.0000 C   0  0
   -5.7734    0.4218    0.0000 O   0  0
   -3.8135   -1.2844    0.0000 O   0  0
   -4.7977   -2.4164    0.0000 C   0  0
   -2.3301    0.2513    0.0000 C   0  0
   -2.7110   -1.1720    0.0000 C   0  0
   -1.6165   -2.2180    0.0000 C   0  0
   -0.2693   -1.8150    0.0000 C   0  0
    0.1414   -0.3694    0.0000 C   0  0
   -0.9061    0.6597    0.0000 C   0  0
   -0.5303    2.1129    0.0000 O   0  0
    0.4332    2.3808    0.0000 C   0  0
    0.6269   -3.0200    0.0000 N   0  0
    2.1244   -3.0533    0.0000 C   0  0
    2.8460   -4.3683    0.0000 O   0  0
   -0.2779   -4.1651    0.0000 C   0  0  1  0  0  0
   -0.0140   -5.6041    0.0000 C   0  0  2  0  0  0
    1.0936   -4.5926    0.0000 O   0  0
   -1.1529   -6.6124    0.0000 C   0  0  2  0  0  0
   -0.8799   -8.0880    0.0000 O   0  0
    0.5342   -8.5906    0.0000 C   0  0
    1.2952   -7.9418    0.0000 C   0  0
    0.8068  -10.0656    0.0000 O   0  0
   -2.5335   -6.1188    0.0000 C   0  0  2  0  0  0
   -2.2630   -7.5946    0.0000 C   0  0
   -3.0242   -8.2431    0.0000 C   0  0
   -3.6287   -7.0542    0.0000 C   0  0
   -5.0406   -6.5494    0.0000 C   0  0
   -5.3459   -4.5824    0.0000 C   0  0
   -4.0445   -3.8623    0.0000 N   0  0
   -3.7291   -2.4358    0.0000 C   0  0
   -2.2452   -2.2939    0.0000 C   0  0
   -1.6741   -3.6659    0.0000 C   0  0  2  0  0  0
   -2.8019   -4.6427    0.0000 C   0  0  2  0  0  0
    0.2302   -7.0636    0.0000 C   0  0
    1.1755   -7.3898    0.0000 O   0  0
   -0.9029   -8.0479    0.0000 O   0  0
   -0.6181   -9.5206    0.0000 C   0  0
   -1.2300    5.8900    0.0000 C   0  0
    8.2352    0.9101    0.0000 O   0  0
    8.2352   -0.5899    0.0000 S   0  0
    8.2352   -2.0899    0.0000 O   0  0
    6.9359   -1.3395    0.0000 O   0  0
    9.5344   -1.3395    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 14  1  0
 12 20  1  0
 20 21  1  0
 21  6  1  0
 20 22  1  1
 22 23  2  0
 22 24  1  0
 24 25  1  0
 20 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 33  1  0
 29 34  1  0
 34 35  1  0
 35 36  2  0
 37 34  1  1
 37 38  1  0
 38 39  1  6
 38 40  1  0
 40 41  1  6
 41 42  1  0
 42 43  1  0
 42 44  2  0
 40 45  1  0
 45 46  1  1
 46 47  1  0
 45 48  1  0
 48 49  2  3
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 54 53  1  6
 54 28  1  0
 54 37  1  0
 54 55  1  0
 55 45  1  0
 55 51  1  6
 38 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  0
  8 60  1  0
 60  3  1  0
 61 62  1  0
 62 63  1  0
 62 64  2  0
 62 65  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11671

> <plate>
PLATE 009

> <well>
H11

> <supplier_cmpd_name>
Vincristine sulfate

> <ctcr_id>
4962

> <supplier_cmpd_id>
T1270

> <smiles>
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.O[S](O)(=O)=O

> <pd_targets>
{NR5A1,NR0B1,TUBB5,TUBA4A,MAPT,HIF1A,RORC,GAA,LMNA,TUBB2B,TUBA1A,SLCO1B3,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBB,TUBB1,TUBB2A,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,HTT,SLCO1B1,ABCC1,ALDH1A1,KMT2A,MEN1,BLM,NPSR1,NF
O,PMP22,NS1,GMNN,MTOR}

> <pathway_gtopdb>
{"Transcription factor","Structural protein","Other cytosolic protein",Enzyme,"Other nuclear protein",Transporter,"Unclassified protein","Nuclear receptor",Hydrolase,"Electrochemical transporter","Pri
mary active transporter","Nuclear hormone receptor subfamily 5","Nuclear hormone receptor subfamily 0","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","ATP-binding cassette
","Nuclear hormone receptor subfamily 5 group A","Nuclear hormone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group F","SLC21/SLCO family of organic anion transporting polypept
ides","ABCC subfamily","Nuclear hormone receptor subfamily 5 group A member 1","Nuclear hormone receptor subfamily 0 group B member 1","Nuclear hormone receptor subfamily 1 group F member 3","Epigenet
ic regulator","Membrane receptor",Oxidoreductase,Reader,"Family A G protein-coupled receptor",Protease,Kinase,Bromodomain,"Peptide receptor (family A GPCR)","Cysteine protease","Protein Kinase","Short
 peptide receptor (family A GPCR)","Cysteine protease CA clan","Atypical protein kinase group","Neuropeptide receptor","Cysteine protease C1A family","Atypical protein kinase PIKK family","Atypical pr
otein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,"Other protein targets",Enzymes,Transporters,"Nuclear hormone receptors",Tubulins,"3.2.1.- Glycosidases","SLC superfamily of solute carriers","ATP-binding cassette transporter family","5A. 
Fushi tarazu F1-like receptors","0B. DAX-like receptors","1F. Retinoic acid-related orphans","SLCO family of organic anion transporting polypeptides","ABCC subfamily","G protein-coupled receptors","Ki
nases (EC 2.7.x.x)","Neuropeptide S receptor",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Cell Cycle","Neuronal System","Cellular responses to external stimuli",Disease,Metabolism,"Post-translational protein modification","RNA Po
lymerase II Transcription",Mitotic,"Transmission across Chemical Synapses","Cellular responses to stress","Diseases of metabolism","Metabolism of lipids",SUMOylation,"Generic Transcription Pathway","M
itotic G2-G2/M phases","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","Diseases of carbohydrate metabolism","M Phase","Metabolism of steroids","Fatty 
acid metabolism","SUMO E3 ligases SUMOylate target proteins","Nuclear Receptor transcription pathway","G2/M Transition","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline
 hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Glycogen storage diseases","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism","Transcription
al Regulation by MECP2","Arachidonic acid metabolism","SUMOylation of intracellular receptors","Centrosome maturation","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell 
Migration","Glycogen storage disease type II (GAA)","Mitotic Anaphase","Recycling of bile acids and salts","Regulation of MECP2 expression and activity","Synthesis of Leukotrienes (LT) and Eoxins (EX)
","Loss of proteins required for interphase microtubule organization from the centrosome","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Loss of Nlp from mitotic centros
omes","Initiation of Nuclear Envelope (NE) Reformation","DNA Repair","Developmental Biology","Biological oxidations","DNA Double-Strand Break Repair","Infectious disease","Nervous system development",
"Phase I - Functionalization of compounds","Homology Directed Repair","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Mitotic G1 phase and G1/S transition","Et
hanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","G1/S Transition","Transcriptional Regulation by TP53","HDR thr
ough Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","Regulation of TP53 Activity","Homologous DNA Pair
ing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Re
gulation of TP53 Degradation"}

> <broad_targets>
{TUBA4A,TUBB}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{"Vincristine sulfate",Oncovin,"Vincristine sulfate salt",2068-78-2,2068782,"Vincristine sulphate","Vincristine (sulfate)",UNII-T5IRO3534A,UNIIT5IRO3534A,C46H58N4O14S,Vincrex,Onkovin,Vincrisul,MLS0008
63277,T5IRO3534A,"VCR sulfate",Marqibo,SMR000058540,Lill,SAM001246570,CPD000058540}

> <pdid>
PD003310

> <targets>
{Apoptosis,Microtubule/Tubulin}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,Cytoskeleton}

> <pubchem_cids>
{5388992}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    3.9200   -5.8774    0.0000 O   0  0
    4.8054   -4.6666    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0  1  0  0  0
    2.7343   -2.9815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0  1  0  0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 C   0  0  2  0  0  0
    6.4451   -1.8434    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  3  1  0
  8  9  1  6
  5 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 10  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11672

> <plate>
PLATE 010

> <well>
A2

> <supplier_cmpd_name>
Cytarabine

> <ctcr_id>
910

> <supplier_cmpd_id>
T1272

> <smiles>
OC[C@H]1OC([C@@H](O)[C@@H]1O)N2C=CC(=N)NC2=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Arabinofuranosylcytosine,Aracytidine,Cytarabina,Cytarabinoside,Spongocytidine,Arabitin,Aracytin,Aracytine,Arafcyt,Cytarabin,Depocyt,Erpalfa,3083-52-1,3083521,Alexan,Iretin,"Arabinoside C",Arabinosylc
ytosine,"Cytosine arabinose","Depocyt (liposomal)",C,1500217,CYTARABINE}

> <pdid>

> <targets>
{}

> <classes>
{antineoplastic,antiviral,antimetabolite}

> <pubchem_cids>
{114682}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.1996   -1.4928    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
   -0.0008   -6.0031    0.0000 O   0  0
   -0.0029   -7.5039    0.0000 C   0  0
   -1.3033   -8.2517    0.0000 C   0  0
    1.2946   -8.2566    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1953   -6.0031    0.0000 C   0  0
   -6.4956   -5.2554    0.0000 O   0  0
   -5.1932   -7.5031    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 16 21  2  0
 21 12  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24  5  1  0
 24  9  2  0
 14 25  1  0
 25 26  1  0
 25 27  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11673

> <plate>
PLATE 010

> <well>
A3

> <supplier_cmpd_name>
Diacerein

> <ctcr_id>
4906

> <supplier_cmpd_id>
T1273

> <smiles>
CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O

> <pd_targets>
{CASP7,CASP3,KDM4E,HTT,HPGD,TP53,ALDH1A1,RORC,GLD-1,NAAA,MAPT,ALD,HSP90AA1,HSP90AB1,PKM,MAPK1,KMT2A,MEN1,LMNA,PYK,ABCC4,NR1H3,NR1H2,ALOX5,CYP1A2,CYP3A4,CYP3A43,CYP3A5,CYP3A7,CYP2E1,CYP2C9,CYP2D6}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein","Transcription factor","Other cytosolic protein","Other nuclear protein",Transporter,Protease,Eraser,Oxidoreductase,"Nuclear receptor",Hydrolase,K
inase,Reader,Transferase,"Primary active transporter","Cytochrome P450","Cysteine protease","Lysine demethylase","Nuclear hormone receptor subfamily 1","Protein Kinase",Bromodomain,"ATP-binding casset
te","Cytochrome P450 family 1","Cytochrome P450 family 3","Cytochrome P450 family 2","Cysteine protease CD clan","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","CMGC protei
n kinase group","ABCC subfamily","Nuclear hormone receptor subfamily 1 group H","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Cytochrome P450 family 2E","Cytochrome P450 family 2C","Cytochr
ome P450 family 2D","Cysteine protease C14 family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group H member 3","Cy
tochrome P450 1A1","Cytochrome P450 3A4","Cytochrome P450 2E1","Cytochrome P450 2C9","Cytochrome P450 2D6","Cysteine protease C14A subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Peptidases and proteinases","Chromatin modifying enzymes","Eicosanoid turnover","Nuclear hormone receptors","Endocannabinoid turnover","2.7.1.4
0 Pyruvate kinases","Kinases (EC 2.7.x.x)","Heat shock proteins","ATP-binding cassette transporter family","Cytochrome P450","CD: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","Prostagland
in synthases","1F. Retinoic acid-related orphans","<i>N</i>-Acylethanolamine turnover","CMGC: Containing CDK",MAPK,GSK3,"CLK families","ABCC subfamily","1H. Liver X receptor-like receptors",Lipoxygena
ses,"CYP1 family","CYP2 family: drug metabolising subset","C14: Caspase","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Programmed Cell Death","Gene expression (Transcription)",Metabolism,"Cell Cycle","Neuronal System","Immune System",Hemostasis,"Metabolism of proteins",Apoptosis,"RNA Polymerase II Transcription","Me
tabolism of lipids","Cell Cycle Checkpoints","Biological oxidations","Transmission across Chemical Synapses","Metabolism of carbohydrates","Innate Immune System",Mitotic,"Platelet activation","signali
ng and aggregation","Post-translational protein modification","Intrinsic Pathway for Apoptosis","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","G1/S DNA Da
mage Checkpoints","Phase I - Functionalization of compounds","Neurotransmitter release cycle","Neurotransmitter receptors and postsynaptic signal transmission","Glucose metabolism","Toll-like Receptor
 Cascades","M Phase","Mitotic G2-G2/M phases","Response to elevated platelet cytosolic Ca2+",SUMOylation,"Apoptotic factor-mediated response","Transcriptional Regulation by MECP2","Biosynthesis of DHA
-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Ethanol oxidation","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events",Glycolysis,"Toll Like Recepto
r 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","G2/M Transition","Platelet degranulation","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arrang
ed by substrate type","Cytochrome c-mediated apoptotic response","Regulation of MECP2 expression and activity","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","RUNX3 Regula
tes Immune Response and Cell Migration","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","Mitotic Anaphase","Centrosome maturation","SUMOylation of intracellular rec
eptors","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Activation of caspases through apoptosome-mediated cleavage","Stabilization of p53","Activation of AMPK downstream of NMDARs","MAP kinase activation"
,"Nuclear Envelope (NE) Reassembly","Loss of proteins required for interphase microtubule organization from the centrosome","Biosynthesis of DPAn-3-derived 13-series resolvins","Aromatic amines can be
 N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope 
(NE) Reformation","Loss of Nlp from mitotic centrosomes","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{IL1B}

> <broad_moa>
{"interleukin inhibitor"}

> <synonyms>
{Diacerein,13739-02-1,13739021,Diacetylrhein,Diacerhein,Artrodar,Fisiodar,"1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE","1,8DIACETOXY3CARBOXYANTHRAQUINONE",DIACERIN,SF-277,SF277,"4,5-diacetyloxy-9,10-dioxoan
thracene-2-carboxylic acid","4,5diacetyloxy9,10dioxoanthracene2carboxylic acid",UNII-4HU6J11EL5,UNII4HU6J11EL5,"2-Anthracenecarboxylic acid","2Anthracenecarboxylic acid",4,5-bis(acetyloxy)-9,5bis(acet
yloxy)9,10,T1273,1502010,Prestw-1167}

> <pdid>
PD001435

> <targets>
{Interleukin Related}

> <classes>
{antiinflammatory,Immunology/Inflammation}

> <pubchem_cids>
{26248}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    4.0551   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.7552   -9.1697    0.0000 Br  0  0
    0.7130   -8.3588    0.0000 C   0  0
    1.1812   -9.7838    0.0000 O   0  0
    1.7131   -7.2408    0.0000 C   0  0
    3.1813   -7.5478    0.0000 Br  0  0
    1.2449   -5.8157    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11  3  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11674

> <plate>
PLATE 010

> <well>
A4

> <supplier_cmpd_name>
Benzbromarone

> <ctcr_id>
6114

> <supplier_cmpd_id>
T1274

> <smiles>
CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3

> <pd_targets>
{PLIN5,CYP2C19,AKR1C1,MAPT,HIF1A,SKA,ENV,RECA,EYA3,CYP2C9,KMT2A,MEN1,MAPK1,USP2,GROES,GROL,GUAB,PLIN1,SLC22A12,HSD17B10,ALD,ABCB11,S1PR1,LMNA,TSHR,CYP1A2,RECQL,ALDH1A1,DNAB,PA,PTPN1,HPGD,CYP2J2,CYP3A4
,NCOR2,PPARG,POLB,EYA2,HSPD1,HSPE1,MAPK14,SLC16A1,SLC22A6,ABCC2,ADORA3,ABCC1,HTR2B,SLC16A7,ABCC4,FFP,BIRC5,CALM1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Transcription factor","Surface antigen","Epigenetic regulator","Unclassified protein",Transporter,"Membrane receptor","Other nuclear protein","Cytochrome P450",Oxido
reductase,Kinase,Hydrolase,Reader,Protease,"Electrochemical transporter","Primary active transporter","Family A G protein-coupled receptor",Phosphatase,"Nuclear receptor","Cytochrome P450 family 2",Br
omodomain,"Protein Kinase","Cysteine protease","SLC superfamily of solute carriers","ATP-binding cassette","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cytochrome P450
 family 1","Protein Phosphatase","Metallo protease","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2C","CMGC protein kinase group","Cysteine protease CA clan
","SLC22 family of organic cation and anion transporters","ABCB subfamily","Lipid-like ligand receptor (family A GPCR)","Glycohormone receptor","Cytochrome P450 family 1A","Tyrosine protein phosphatas
e","Metallo protease MAE clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group C","SLC16 family of monocarboxylate transporters","ABCC subfamily","Nucleotide-like receptor (fam
ily A GPCR)","Monoamine receptor","Cytochrome P450 2C19","Cytochrome P450 2C9","CMGC protein kinase MAPK family","Cysteine protease C19 family","EDG receptor","Cytochrome P450 1A1","Metallo protease M
1 family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group C member 3","Adenosine receptor","Serotonin receptor","CMGC protein kinase ERK1","CMGC protein kinase p38 subfamily",Transfe
rase}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Cytochrome P450","Kinases (EC 2.7.x.x)","Peptidases and proteinases","SLC superfamily of solute carriers","ATP-binding cassette transporter family","G protein-coupled 
receptors",Phosphatases,"Eicosanoid turnover","CYP2 family: drug metabolising subset","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C) Peptidases","SLC22 family of organic cation and 
anion transporters","ABCB subfamily","Lysophospholipid (S1P) receptors","Glycoprotein hormone receptors","CYP1 family","Protein tyrosine phosphatases non-receptor type (PTPN)","Prostaglandin synthases
","CYP3 family","SLC16 family of monocarboxylate transporters","ABCC subfamily","Adenosine receptors","5-Hydroxytryptamine receptors","Mitogen-activated protein kinases (MAP kinases)","C19: Ubiquitin-
specific protease","Urate transporter","Organic anion transporters (OATs)","ERK subfamily","p38 subfamily","Other protein targets","Inhibitors of apoptosis (IAP) protein family"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Cellular responses to external stimuli","DNA Repair","Immune System","Gene expression (Transcription)","Transport of small molecules","Signal Transduction","Cell Cycle",
Disease,Hemostasis,"Biological oxidations","Metabolism of lipids","Transmission across Chemical Synapses","Cellular responses to stress","DNA Double-Strand Break Repair","Innate Immune System","RNA Po
lymerase II Transcription","SLC-mediated transmembrane transport","Metabolism of amino acids and derivatives","Signaling by GPCR",Mitotic,"Infectious disease","Base Excision Repair","Disorders of tran
smembrane transporters","Platelet activation","signaling and aggregation","Phase I - Functionalization of compounds","Metabolism of steroids","Neurotransmitter receptors and postsynaptic signal transm
ission","Cellular response to hypoxia","DNA Double Strand Break Response","Toll-like Receptor Cascades","Generic Transcription Pathway","Triglyceride metabolism","Transport of bile salts and organic a
cids","metal ions and amine compounds","Branched-chain amino acid catabolism","GPCR ligand binding","M Phase","Leishmania infection","Influenza Infection","Biosynthesis of specialized proresolving med
iators (SPMs)","Resolution of Abasic Sites (AP sites)","SLC transporter disorders","ABC transporter disorders","Fatty acid metabolism","Response to elevated platelet cytosolic Ca2+","Cytochrome P450 -
 arranged by substrate type","Bile acid and bile salt metabolism","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Rec
ruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by TP53","Triglyceride catabol
ism","Organic cation/anion/zwitterion transport","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Ethanol oxidation","Export of Viral 
Ribonucleoproteins from Nucleus","Transcriptional Regulation by MECP2","Biosynthesis of DHA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Defective SLC1
6A1 causes symptomatic deficiency in lactate transport (SDLT)","Defective ABCC2 causes DJS","Arachidonic acid metabolism","Platelet degranulation",Xenobiotics,"Synthesis of bile acids and bile salts",
"Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","Organic anion transport","Lysosphingolipid and LPA receptors","Mitotic Anaphase","Ant
i-inflammatory response favouring Leishmania parasite infection","NEP/NS2 Interacts with the Cellular Export Machinery","MECP2 regulates neuronal receptors and channels","Biosynthesis of D-series reso
lvins","Fatty acids","Biosynthesis of maresins","PCNA-Dependent Long Patch Base Excision Repair","Nucleotide-like (purinergic) receptors","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Amine ligand
-binding receptors","CYP2E1 reactions","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Activation of AMPK downstream of NMDARs","MAP kinase activation","Regulation of TP53 Expressi
on and Degradation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines
 can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Adenosine P1 receptors","Serotonin receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation
 of TP53 Degradation","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","ERKs are inactivated","Separation of Sister Chromat
ids","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{ABCC1}

> <broad_moa>
{"chloride channel blocker"}

> <synonyms>
{benzbromarone,3562-84-3,3562843,Desuric,Benzbromaron,Urinorm,Normurat,Uricovac,Minuric,Exurate,Hipurik,Azubromaron,Narcaricin,"L 2214-Labaz","L 2214Labaz","Uroleap (TN)","MJ 10061","Methanone, (3,5-d
ibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-","Methanone, (3,5dibromo4hydroxyphenyl)(2ethyl3benzofuranyl)",3,5-Dibromo-4-,5Dibromo4,T1274,NSC85433,SAM001246877,1505971,Prestw-370,"NSC 85433",Benzb
romarone,CPD000058310,BENZBROMARONE}

> <pdid>
PD000253

> <targets>
{}

> <classes>
{uricosuric}

> <pubchem_cids>
{2333}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 28  0  0  1  0            999 V2000
   17.7129   -0.0020    0.0000 Cl  0  5
   12.7120    0.6826    0.0000 C   0  0
   11.2194    0.8311    0.0000 C   0  0
   10.3432   -0.3874    0.0000 C   0  0
    8.8523   -0.2390    0.0000 C   0  0  2  0  0  0
    7.8525   -1.3573    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0  2  0  0  0
    6.6317    0.7404    0.0000 N   0  0
    5.5076    1.7335    0.0000 C   0  0
    8.0978    1.0574    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0  2  0  0  0
    2.6060   -2.9986    0.0000 C   0  0  1  0  0  0
    1.3096   -3.7531    0.0000 C   0  0
    3.9075   -3.7444    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0031    3.0008    0.0000 S   0  0
    1.3032    3.7490    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
   15.2129   -0.0020    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10  5  1  0
  7 11  1  1
 11 12  2  0
 11 13  1  0
 14 13  1  6
 14 15  1  0
 15 16  1  6
 15 17  1  0
 14 18  1  0
 18 19  1  6
 19 20  1  0
 20 21  1  1
 21 22  1  0
 20 23  1  0
 23 24  1  1
 23 25  1  0
 25 26  1  6
 25 27  1  0
 27 18  1  0
 27 28  1  6
M  CHG  2   1  -1  29   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11675

> <plate>
PLATE 010

> <well>
A5

> <supplier_cmpd_name>
Lincomycin hydrochloride

> <ctcr_id>
356

> <supplier_cmpd_id>
T1277

> <smiles>
[Cl-].CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O.[H+]

> <pd_targets>
{ALB,RPLJ,AMPC}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of steroids","Bile acid and bile salt metabolism","Recycling of bile acids and salts"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial 30S ribosomal subunit inhibitor"}

> <synonyms>
{RESTW30,"Lincomycin hydrochloride",Lincocin,"Pura Ject 100",NCGC00159326-02,NCGC0015932602,"Lincolnensin, hydrochloride",DSSTox_CID_27780,DSSToxCID27780,DSSTox-CID-27780,"DSSTox CID 27780",DSSTox_RID
_82556,DSSToxRID82556,DSSTox-RID-82556,"DSSTox RID 82556",DSSTox_GSID_47803,DSSToxGSID47803,DSSTox-GSID-47803,"DSSTox GSID 47803","Antibiotic 124a, hydrochloride",Lincogap,"U 10149a","Lincocin Hydroch
loride",MFCD00083647,EI,Prestw-302}

> <pdid>
PD013336

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{64710,45489770}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    6.5504   -0.1033    0.0000 Cl  0  0
    4.0497   -4.4250    0.0000 N   0  0
    2.5497   -4.4224    0.0000 C   0  0
    1.7978   -5.7203    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -6.5018    3.7420    0.0000 C   0  0
   -7.7993    2.9876    0.0000 C   0  0
   -9.1017    3.7333    0.0000 C   0  0
  -10.3992    2.9790    0.0000 C   0  0
  -11.7017    3.7246    0.0000 C   0  0
  -11.8422    5.2052    0.0000 C   0  0
  -13.3100    5.5145    0.0000 N   0  0
  -14.0571    4.2147    0.0000 C   0  0
  -15.5237    3.9003    0.0000 C   0  0
  -15.9848    2.4729    0.0000 C   0  0
  -14.9791    1.3599    0.0000 C   0  0
  -13.5124    1.6744    0.0000 C   0  0
  -13.0514    3.1018    0.0000 C   0  0
  -15.4404   -0.0682    0.0000 C   0  0
  -15.9014   -1.4956    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13  5  2  0
 10 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 22  1  0
 30 25  1  0
 28 31  1  0
 31 32  3  0
 17 33  1  0
 33 34  1  0
 34 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11676

> <plate>
PLATE 010

> <well>
A6

> <supplier_cmpd_name>
Vilazodone HCl

> <ctcr_id>
5402

> <supplier_cmpd_id>
T6232

> <smiles>
Cl.NC(=O)c1oc2ccc(cc2c1)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3

> <pd_targets>
{HTR1A,HRH1,DRD2,DRD4,HTR2C,HTR6,SLC6A4,DRD3,HTR4,HTR7,HTR2A,HTR3A,HTR3B,ACHE,HTR1B,HTR1D,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Ion channel",Enzyme,"Family A G protein-coupled receptor","Electrochemical transporter","Ligand-gated ion channel",Hydrolase,"Small molecule receptor (family A GPCR)"
,"SLC superfamily of solute carriers","5HT3 receptor","Monoamine receptor","SLC06 neurotransmitter transporter family","Serotonin receptor","Histamine receptor","Dopamine receptor","Adrenergic recepto
r"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Ligand-gated ion channels","Acetylcholine turnover","5-Hydroxytryptamine receptors","
Histamine receptors","Dopamine receptors","SLC6 neurotransmitter transporter family","5-HT<sub>3</sub> receptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Neuronal System",Metabolism,"Signaling by GPCR","Infectious disease","Transmission across Chemical Synapses","Metabolism of lipids","GPCR ligand binding","Leishmania in
fection","Neurotransmitter clearance","Phospholipid metabolism","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Serotonin clearance from the synaptic cleft","Glycerop
hospholipid biosynthesis","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of PC","Serotonin receptors","Histamine receptors","Dopamine 
receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{DRD2,DRD3,HRH1,HTR1A,HTR4,SLC6A4}

> <broad_moa>
{"serotonin reuptake inhibitor"}

> <synonyms>
{"Vilazodone hydrochloride",163521-08-2,163521082,"Vilazodone HCl",Viibryd,UNII-U8HTX2GK8J,UNIIU8HTX2GK8J,"Vilazodone (Hydrochloride)",EMD-68843,EMD68843,U8HTX2GK8J,"EMD 68 843","Vilazodone hydrochlor
ide (USAN)","163521-08-2 (HCl)","163521082 (HCl)",CHEBI:70705,SB659746-A,SB659746A,"SB 659746A",SB-659746-A,EMD,T1279,T6232,S4259,Vilazodone}

> <pdid>
PD009553

> <targets>
{Others,5-HT Receptor,Serotonin Transporter}

> <classes>
{Others,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{6918313}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
   -0.0041   -2.9953    0.0000 C   0  0
    1.2925   -3.7494    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5886   -6.0033    0.0000 C   0  0
    1.2919   -5.2492    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  3 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11677

> <plate>
PLATE 010

> <well>
A7

> <supplier_cmpd_name>
Tropicamide

> <ctcr_id>
1400

> <supplier_cmpd_id>
T1281

> <smiles>
CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2

> <pd_targets>
{CHRM5,MAPT,BLM,CHRM4,CHRM2,CHRM3,NFO,CYP2C19,CYP2C9,CHRM1,TSHR,HSD17B10,CYP3A4,NFKB1,CYP1A2,LEF,LMNA}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein",Enzyme,"Other nuclear protein","Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450",Oxidoreductase,Protease,"Small molecule receptor (family
 A GPCR)","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 1","Metallo protease","Monoamine receptor","Cytochrome P450 family 2C","Glyco
hormone receptor","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Metallo protease MAE clan","Acetylcholine receptor","Cytochrome P450 2C19","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytoc
hrome P450 1A1","Metallo protease M34 family"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","CYP3 family","CYP1 f
amily"}

> <pathway_reactome>
{"Signal Transduction","Neuronal System","DNA Repair",Metabolism,Disease,"Immune System","Cell Cycle","Signaling by GPCR","Transmission across Chemical Synapses","DNA Double-Strand Break Repair","Biol
ogical oxidations","Infectious disease","Metabolism of amino acids and derivatives","Metabolism of lipids","Cytokine Signaling in Immune system",Mitotic,"GPCR ligand binding","Neurotransmitter recepto
rs and postsynaptic signal transmission","Homology Directed Repair","Phase I - Functionalization of compounds","Leishmania infection","Branched-chain amino acid catabolism","Biosynthesis of specialize
d proresolving mediators (SPMs)","Signaling by Interleukins","Uptake and actions of bacterial toxins","M Phase","Class A/1 (Rhodopsin-like receptors)","Activation of NMDA receptors and postsynaptic ev
ents","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Biosynthesis of DHA-derive
d SPMs","Interleukin-1 family signaling","Uptake and function of anthrax toxins","Mitotic Metaphase and Anaphase","Amine ligand-binding receptors","Post NMDA receptor activation events","HDR through H
omologous Recombination (HRR)",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","Interleukin-1 signaling","Mitotic Anaphase","Muscarinic acet
ylcholine receptors","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis o
f maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Presynaptic phase of homologous
 DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CHRM3,CHRM4}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{1508-75-4,1508754,Mydriacyl,Mydriaticum,N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide,Nethyl3hydroxy2phenylN(pyridin4ylmethyl)propanamide,Tropicamidum,"Ro 1-7683","Ro 17683",N-Ethyl-2-
phenyl-N-(4-pyridylmethyl)hydracrylamide,NEthyl2phenylN(4pyridylmethyl)hydracrylamide,Mydriafair,Tropicacyl,"Minims tropicamide",Bistropamide,Epitro,T1281,S1913,SAM002564235,1500599,Prestw-228,Tropica
mide,CPD000058523,TROPICAMIDE}

> <pdid>
PD002097

> <targets>
{AChR}

> <classes>
{"anticholinergic (opthalmic)","Neuronal Signaling"}

> <pubchem_cids>
{5593}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 22  0  0  0  0            999 V2000
   15.4003   -1.1252    0.0000 H   0  3
   12.9003   -1.1252    0.0000 Cl  0  5
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0964    0.7636    0.0000 C   0  0
   10.3966    0.0161    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 13  1  0
 23 17  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11678

> <plate>
PLATE 010

> <well>
A8

> <supplier_cmpd_name>
Carteolol hydrochloride

> <ctcr_id>
1542

> <supplier_cmpd_id>
T1282

> <smiles>
[H+].[Cl-].CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12

> <pd_targets>
{ADRB1,ADRB2,ADRB3}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{RESTW44,AKOS026750076,CHEBI:3438,"5-(2-Hydroxy-3-tert-butylamino)propoxy-3,4-dihydrocarbostyril hydrochloride","5(2Hydroxy3tertbutylamino)propoxy3,4dihydrocarbostyril hydrochloride","carteolol hydroc
hloride",51781-21-6,51781216,"Carteolol HCl",Arteoptic,Mikelan,Cartrol,Abbott-43326,Abbott43326,"Endak hydrochloride",Ocupress,OPC-1085,OPC1085,Carteolo,T1282,S4278,Prestw-446,"Carteolol hydrochloride
"}

> <pdid>
PD009980

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{25137857,49852288,40127}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    2.5980    6.0000    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15  9  1  0
 15 16  2  0
 16  6  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 19 21  1  0
 21  2  1  0
 21  5  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11679

> <plate>
PLATE 010

> <well>
A9

> <supplier_cmpd_name>
Tanshinone I

> <ctcr_id>
1073

> <supplier_cmpd_id>
T2907

> <smiles>
Cc1coc2c3ccc4c(C)cccc4c3C(=O)C(=O)c12

> <pd_targets>
{CES2,MAPT,CES1,EED,EZH2,SUZ12,RAD51,ALD,RORC,PTPN6,POLB,PTPN11,BLM,PROTEASE,TGR,SKA,AKR1B1,EPAS1,HIF1A}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Unclassified protein","Transcription factor",Hydrolase,Writer,"Nuclear receptor",Phosphatase,Protease,Kinase,Oxidoreductase,"Protein methyltra
nsferase","Nuclear hormone receptor subfamily 1","Protein Phosphatase","Cysteine protease","Nuclear hormone receptor subfamily 1 group F","Tyrosine protein phosphatase","Cysteine protease PAC clan","N
uclear hormone receptor subfamily 1 group F member 3","Cysteine protease C3A subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,Hydrolases,"Anti-infective targets","Nuclear hormone receptors","1.-.-.- Oxidoreductases","Viral protein targets","1F. Retinoic acid-related orphans","Corona
virus (CoV) proteins"}

> <pathway_reactome>
{Metabolism,"Neuronal System",Disease,"DNA Repair","Gene expression (Transcription)","Immune System","Biological oxidations","Transmission across Chemical Synapses","Infectious disease","DNA Double-St
rand Break Repair","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Base Excision Repair","Innate Immune System","Metabolism of lipids","Phase I - Functionalization of compound
s","Neurotransmitter receptors and postsynaptic signal transmission","SARS-CoV Infections","Homology Directed Repair","Generic Transcription Pathway","Interferon Signaling","Resolution of Abasic Sites
 (AP sites)","Toll-like Receptor Cascades","Metabolism of steroids","Activation of NMDA receptors and postsynaptic events","SARS-CoV-1 Infection","HDR through Homologous Recombination (HRR) or Single 
Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Interferon alpha/beta signaling","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Toll Like Receptor 4 (TL
R4) Cascade","Metabolism of steroid hormones","Post NMDA receptor activation events","SARS-CoV-1 Genome Replication and Transcription","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Imm
une Response and Cell Migration","Regulation of IFNA signaling","PCNA-Dependent Long Patch Base Excision Repair","MyD88-independent TLR4 cascade","Pregnenolone biosynthesis","Activation of AMPK downst
ream of NMDARs","Replication of the SARS-CoV-1 genome","Homologous DNA Pairing and Strand Exchange","TRIF(TICAM1)-mediated TLR4 signaling","Presynaptic phase of homologous DNA pairing and strand excha
nge","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{IFNG}

> <broad_moa>
{"AP inhibitor"}

> <synonyms>
{"Tanshinone I",568-73-0,568730,"Tanshinone A","Tanshinon I",Tanshinone,"1,6-Dimethylphenanthro(1,2-b)furan-10,11-dione","1,6Dimethylphenanthro(1,2b)furan10,11dione",Tanshinone-I,TanshinoneI,UNII-03UU
H3J385,UNII03UUH3J385,C18H12O3,"1,6-dimethylnaphtho(1,2-g)(1)benzofuran-10,11-dione","1,6dimethylnaphtho(1,2g)(1)benzofuran10,11dione",MLS000697676,03UUH3J385,1,6-Dimethyl-phenan,6Dimethylphenan,T2907
,S2364}

> <pdid>
PD071636

> <targets>
{Others,Phospholipase}

> <classes>
{Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{114917}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 O   0  0
   -5.2029    2.9932    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
  4 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11680

> <plate>
PLATE 010

> <well>
A10

> <supplier_cmpd_name>
Isoferulic acid

> <ctcr_id>
11034

> <supplier_cmpd_id>
T2889

> <smiles>
COc1c(cc(cc1)/C=C/C(=O)O)O

> <pd_targets>
{PMVK}

> <pathway_gtopdb>
{}

> <pathway_chembl>
{Enzymes,"Lanosterol biosynthesis pathway"}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Isoferulic acid","3-Hydroxy-4-methoxycinnamic acid","3Hydroxy4methoxycinnamic acid",537-73-5,537735,"Hesperetic acid",25522-33-2,25522332,"3-(3-Hydroxy-4-methoxyphenyl)acrylic acid","3(3Hydroxy4meth
oxyphenyl)acrylic acid",Isoferulate,"(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid","(2E)3(3hydroxy4methoxyphenyl)prop2enoic acid",(E)-3-(3-hydroxy-4-methoxyphenyl)ac,(E)3(3hydroxy4methoxyphenyl
)ac,T2889}

> <pdid>
PD006097

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{736186}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  1  0            999 V2000
    2.8072    3.3475    0.0000 C   0  0
    1.3212    3.5516    0.0000 O   0  0
    0.4000    2.3700    0.0000 C   0  0
   -1.3200    2.3700    0.0000 C   0  0
   -1.8800    1.2700    0.0000 C   0  0  2  0  0  0
   -1.8800   -1.6000    0.0000 C   0  0  2  0  0  0
   -0.4900   -1.3900    0.0000 C   0  0
    0.6400   -1.9000    0.0000 C   0  0
    2.1400   -2.0600    0.0000 C   0  0
    3.0300   -0.8600    0.0000 C   0  0
    2.4400    0.5100    0.0000 C   0  0
    3.3408    1.7104    0.0000 O   0  0
    4.8301    1.5314    0.0000 C   0  0
    0.9400    0.6800    0.0000 C   0  0
    0.5439    1.5982    0.0000 O   0  0
    0.0400   -0.5200    0.0000 C   0  0
   -1.3800    0.0000    0.0000 C   0  0  1  0  0  0
   -2.6800   -0.9700    0.0000 C   0  0
   -3.9200   -1.1100    0.0000 C   0  0
   -2.9700   -2.4500    0.0000 N   0  0
   -3.1881   -3.9341    0.0000 C   0  0
    0.2000    0.0000    0.0000 C   0  0
    0.8600    1.1200    0.0000 C   0  0
    1.8560    1.0302    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  5  4  1  1
  5  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  2  0
 16  8  1  0
 17 16  1  1
 17  5  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20  6  1  0
 20 21  1  0
 17 22  1  0
 22 23  1  0
 23  3  1  0
 23 24  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11681

> <plate>
PLATE 010

> <well>
A11

> <supplier_cmpd_name>
Sinomenine hydrochloride

> <ctcr_id>
3742

> <supplier_cmpd_id>
T2921

> <smiles>
COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"angiogenesis inhibitor"}

> <synonyms>
{Sinomenine,115-53-7,115537,Cucoline,Kukoline,Coculine,"Sabianine A","CCRIS 1550",UNII-63LT81K70N,UNII63LT81K70N,CHEBI:9163,CHEMBL248095,63LT81K70N,SNM,SR-05000002170,SR05000002170,"EINECS 204-094-6",
"EINECS 2040946","BRN 0095280","Sinomenine,(S)","Sinomenine (Cucoline)",Spectrum2_001242,Spectrum2001242,Spectrum2-001242,"Spectrum2 001242",Spectrum3,T2726,T2921,NSC785175,1505253,"Sinomenine hydroch
loride",SINOMENINE}

> <pdid>
PD000544

> <targets>
{Apoptosis,Autophagy,NF-ºB,Opioid Receptor}

> <classes>
{antiinflammatory,LD50 (po) 580 mg/kg,(ip) 285 mg/kg(mouse),analgesic,weak abortifacient,immunosuppressant,Apoptosis,Autophagy,GPCR/G Protein,Neuronal Signaling,NF-ºB}

> <pubchem_cids>
{5459308}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 31  0  0  1  0            999 V2000
    2.5228   -3.0436    0.0000 C   0  0
    1.2626   -2.2300    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    1.2990    3.7500    0.0000 N   0  0
    1.6105    5.2165    0.0000 C   0  0
    3.1022    5.3733    0.0000 C   0  0
    3.7123    4.0030    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    5.2030    3.8457    0.0000 N   0  0
    6.0847    5.0592    0.0000 C   0  0
    7.5764    4.9024    0.0000 C   0  0
    8.4581    6.1160    0.0000 C   0  0
    7.8480    7.4863    0.0000 C   0  0
    6.3562    7.6431    0.0000 C   0  0
    5.4745    6.4295    0.0000 C   0  0
    3.9828    6.5863    0.0000 C   0  0
    8.7297    8.6998    0.0000 O   0  0
    2.5793    0.0316    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  2  0
  5 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  1  0
 16 17  2  0
 17  4  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 19  1  0
 24 25  2  0
 25 14  1  0
 22 26  1  0
  3 27  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11682

> <plate>
PLATE 010

> <well>
B2

> <supplier_cmpd_name>
10-Hydroxycamptothecin

> <ctcr_id>
11035

> <supplier_cmpd_id>
T2764

> <smiles>
CC[C@@]1(c2c(COC1=O)c(=O)n1Cc3c(c1c2)nc1ccc(cc1c3)O)O

> <pd_targets>
{CASP1,KMT2A,MEN1,CYP3A4,CASP7,RORC,IMPA1,HBB,TOP1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Secreted protein",Protease,Reader,"Cytochrome P450","Nuclear receptor",Hydrolase,Isomerase,"Cysteine protease",Bromodomain,"Cytochrome P450 famil
y 3","Nuclear hormone receptor subfamily 1","Cysteine protease CD clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Cysteine protease C14 family","Cytochrome P450 3A4",
"Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","Cytochrome P450","Nuclear hormone receptors","Inositol phosphate turnover","DNA topoisomerases","CD: Cysteine (C) Peptidases","CYP3 family","1F. Retino
ic acid-related orphans","Inositol monophosphatase","C14: Caspase"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Programmed Cell Death","Immune System","Metabolism of proteins","RNA Polymerase II Transcription","Metabolism of lipids",Apoptosis,"Inositol phosphate me
tabolism","Innate Immune System","Post-translational protein modification","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Intrinsic Pathway for Apoptosis"
,"Synthesis of IP2",IP,"and Ins in the cytosol","Neutrophil degranulation",SUMOylation,"Transcriptional Regulation by TP53","Biosynthesis of DHA-derived SPMs","Apoptotic factor-mediated response","Tra
nscriptional regulation by RUNX3","SUMO E3 ligases SUMOylate target proteins","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of maresins","Cytochrome c-mediated apoptotic response","
RUNX3 Regulates Immune Response and Cell Migration","SUMOylation of DNA replication proteins","TP53 Regulates Transcription of Caspase Activators and Caspases","Biosynthesis of maresin-like SPMs","Act
ivation of caspases through apoptosome-mediated cleavage"}

> <broad_targets>
{TOP1}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{10-Hydroxycamptothecin,10Hydroxycamptothecin,19685-09-7,19685097,(S)-10-Hydroxycamptothecin,(S)10Hydroxycamptothecin,Hydroxycamptothecin,10-hydroxycamptothecine,10hydroxycamptothecine,Hydroxycamptoth
ecine,10-Hydroxy-Camptothecin,10HydroxyCamptothecin,"Camptothecin, hydroxy-","Camptothecin, hydroxy","10-Hydroxy camptothecin","10Hydroxy camptothecin",UNII-9Z01632KRV,UNII9Z01632KRV,NSC107124,Irin,T1
521,T2764,T4952,"Hydroxy Camptothecine",10-Hydroxycampothecin}

> <pdid>
PD001274

> <targets>
{Topo I,Apoptosis,Topoisomerase}

> <classes>
{DNA Damage/DNA Repair,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{97226}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 85 95  0  0  1  0            999 V2000
   14.2895   -0.7337    0.0000 C   0  0  1  0  0  0
   14.2854    0.7663    0.0000 C   0  0  1  0  0  0
   15.5823    1.5200    0.0000 C   0  0  2  0  0  0
   16.8835    0.7736    0.0000 C   0  0  1  0  0  0
   16.8877   -0.7264    0.0000 C   0  0  2  0  0  0
   15.5908   -1.4800    0.0000 O   0  0
   18.1911   -1.4704    0.0000 C   0  0
   18.1993   -2.9704    0.0000 O   0  0
   18.1804    1.5273    0.0000 O   0  0
   15.5781    3.0200    0.0000 O   0  0
   13.4180    1.2639    0.0000 O   0  0
   12.9904   -1.4852    0.0000 O   0  0
   11.6896   -0.7366    0.0000 C   0  0  2  0  0  0
   10.3900   -1.4858    0.0000 C   0  0  2  0  0  0
    9.0914   -0.7350    0.0000 C   0  0  1  0  0  0
    9.0924    0.7651    0.0000 O   0  0
   10.3920    1.5142    0.0000 C   0  0  1  0  0  0
   11.6905    0.7634    0.0000 C   0  0  2  0  0  0
   12.5569    1.2628    0.0000 O   0  0
   10.3898    3.0151    0.0000 C   0  0
   11.6873    3.7677    0.0000 O   0  0
    7.7927   -1.4872    0.0000 O   0  0
    6.4914   -0.7394    0.0000 C   0  0  1  0  0  0
    5.1923   -1.4894    0.0000 C   0  0  1  0  0  0
    3.8933   -0.7392    0.0000 O   0  0
    3.8934    0.7608    0.0000 C   0  0  1  0  0  0
    5.1925    1.5107    0.0000 C   0  0  2  0  0  0
    6.4915    0.7606    0.0000 C   0  0  2  0  0  0
    7.7898    1.5136    0.0000 O   0  0
    7.7877    3.0144    0.0000 C   0  0  1  0  0  0
    6.4892    3.7654    0.0000 C   0  0  1  0  0  0
    6.4902    5.2654    0.0000 C   0  0  2  0  0  0
    7.7898    6.0145    0.0000 C   0  0  1  0  0  0
    9.0883    5.2636    0.0000 C   0  0
    9.0873    3.7636    0.0000 O   0  0
    7.7908    7.5145    0.0000 O   0  0
    5.1917    6.0163    0.0000 O   0  0
    5.6228    3.2660    0.0000 O   0  0
    5.1926    3.0107    0.0000 O   0  0
    2.5922    1.5086    0.0000 C   0  0
    1.2942    0.7569    0.0000 O   0  0
    5.1952   -2.9902    0.0000 O   0  0
    3.8974   -3.7440    0.0000 C   0  0  1  0  0  0
    3.8982   -5.2440    0.0000 C   0  0  2  0  0  0
    2.5996   -5.9947    0.0000 O   0  0
    1.3000   -5.2454    0.0000 C   0  0  2  0  0  0
    1.2993   -3.7454    0.0000 C   0  0  1  0  0  0
    2.5980   -2.9947    0.0000 C   0  0  1  0  0  0
    2.5974   -1.9947    0.0000 O   0  0
   -0.0001   -2.9961    0.0000 O   0  0
    0.0022   -5.9992    0.0000 O   0  0
    0.0051   -7.5000    0.0000 C   0  0  2  0  0  0
    1.3072   -8.2448    0.0000 C   0  0
    1.3131   -9.7448    0.0000 C   0  0  2  0  0  0
    2.6152  -10.4896    0.0000 C   0  0
    2.6211  -11.9896    0.0000 C   0  0
    1.3251  -12.7448    0.0000 C   0  0  1  0  0  0
    1.3311  -14.2448    0.0000 C   0  0  2  0  0  0
    2.4307  -15.2570    0.0000 C   0  0  1  0  0  0
    1.8173  -16.6258    0.0000 C   0  0  2  0  0  0
    2.1260  -18.0917    0.0000 O   0  0
    0.8251  -18.8386    0.0000 C   0  0  1  0  0  0
   -0.2872  -17.8322    0.0000 C   0  0  2  0  0  0
    0.3259  -16.4654    0.0000 C   0  0  2  0  0  0
    0.0350  -15.0000    0.0000 C   0  0  1  0  0  0
   -1.2670  -14.2551    0.0000 C   0  0
   -1.2730  -12.7551    0.0000 C   0  0
    0.0231  -12.0000    0.0000 C   0  0  2  0  0  0
    0.0171  -10.5000    0.0000 C   0  0  1  0  0  0
   -1.2849   -9.7552    0.0000 C   0  0
   -1.2909   -8.2552    0.0000 C   0  0  1  0  0  0
   -2.5929   -7.5104    0.0000 O   0  0
   -1.2789  -11.2552    0.0000 C   0  0
   -1.1827  -15.8759    0.0000 C   0  0
   -1.7552  -18.1402    0.0000 C   0  0
    1.3419  -20.2956    0.0000 C   0  0
    0.4259  -21.4834    0.0000 C   0  0
   -1.0608  -21.2840    0.0000 C   0  0  2  0  0  0
   -1.6314  -19.8968    0.0000 C   0  0
   -0.7154  -18.7090    0.0000 O   0  0
   -1.9768  -22.4718    0.0000 C   0  0
    3.9000  -14.9549    0.0000 O   0  0
    5.1999   -5.9911    0.0000 C   0  0
    6.4975   -5.2385    0.0000 O   0  0
   10.3894   -2.4858    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  1
  7  8  1  0
  4  9  1  6
  3 10  1  1
  2 11  1  6
  1 12  1  1
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 18 19  1  6
 17 20  1  6
 20 21  1  0
 15 22  1  6
 23 22  1  1
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 28 29  1  6
 30 29  1  1
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 30  1  0
 33 36  1  6
 32 37  1  1
 31 38  1  6
 27 39  1  1
 26 40  1  6
 40 41  1  0
 24 42  1  6
 43 42  1  1
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 43  1  0
 48 49  1  1
 47 50  1  6
 46 51  1  1
 52 51  1  6
 52 53  1  0
 54 53  1  6
 54 55  1  0
 55 56  1  0
 57 56  1  1
 58 57  1  6
 58 59  1  0
 59 60  1  0
 60 61  1  6
 62 61  1  1
 62 63  1  0
 64 63  1  6
 64 60  1  0
 64 65  1  0
 65 58  1  0
 65 66  1  0
 66 67  1  0
 68 67  1  6
 68 57  1  0
 68 69  1  0
 69 54  1  0
 69 70  1  0
 70 71  1  0
 71 52  1  0
 71 72  1  1
 69 73  1  6
 65 74  1  6
 63 75  1  1
 62 76  1  0
 76 77  1  0
 77 78  1  0
 78 79  1  0
 79 80  1  0
 80 62  1  0
 78 81  1  1
 59 82  1  6
 44 83  1  1
 83 84  1  0
 14 85  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11683

> <plate>
PLATE 010

> <well>
B3

> <supplier_cmpd_name>
Digitonin

> <ctcr_id>
11036

> <supplier_cmpd_id>
T2721

> <smiles>
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O)CO)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)CO)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O
)O[C@@H]1C[C@@H]2CC[C@H]3[C@@H]4[C@@H]([C@@H]5O[C@@]6([C@H]([C@@H]5[C@]4(CC[C@@H]3[C@]2(C[C@H]1O)C)C)C)CC[C@H](CO6)C)O)CO)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Digitonin,11024-24-1,11024241,Digitin,"Digitogenin, glycoside",UNII-KOO5CM684H,UNIIKOO5CM684H,KOO5CM684H,Digitonine,C56H92O29,MFCD00077729,NSC23471,"EINECS 234-255-6","EINECS 2342556","NSC 23471","BR
N 0078654",AI3-44893,AI344893,"5-19-03-00603 (Beilstein Handbook Reference)","5190300603 (Beilstein Handbook Reference)","~50 (TL",T2721}

> <pdid>
PD002290

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{6474107}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2947    3.7531    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
  6 11  1  0
 11 12  2  0
 11 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11684

> <plate>
PLATE 010

> <well>
B4

> <supplier_cmpd_name>
5-Acetylsalicylic acid

> <ctcr_id>
11037

> <supplier_cmpd_id>
T2735

> <smiles>
CC(=O)c1cc(c(cc1)O)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ACETYLSALICYLIC ACI","5-Acetylsalicylic acid","5Acetylsalicylic acid","5-acetyl-2-hydroxybenzoic acid","5acetyl2hydroxybenzoic acid",13110-96-8,13110968,"5-acetyl-2-hydroxy-benzoic acid","Benzoic ac
id, 5-acetyl-2-hydroxy-","Benzoic acid, 5acetyl2hydroxy",MFCD00013978,"3-acetyl-6-hydroxybenzoic acid","3acetyl6hydroxybenzoic acid","EINECS 236-037-6","EINECS 2360376","5-acetyl salicylic acid","5ace
tyl salicylic acid",T2735}

> <pdid>
PD056188

> <targets>
{Others}

> <classes>
{Immunology/Inflammation,Others}

> <pubchem_cids>
{83151}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 34  0  0  1  0            999 V2000
    5.1884   -7.5113    0.0000 C   0  0
    5.1901   -6.0113    0.0000 C   0  0
    6.4902   -5.2631    0.0000 C   0  0
    3.8917   -5.2586    0.0000 N   0  0
    3.8934   -3.7577    0.0000 C   0  0
    2.5949   -3.0050    0.0000 C   0  0
    2.5966   -1.5042    0.0000 C   0  0  2  0  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    5.1956   -1.5125    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    7.7937   -1.5213    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    2.6078    1.4964    0.0000 O   0  0
    2.5893   -6.0044    0.0000 C   0  0
    1.2924   -5.2507    0.0000 C   0  0
    2.5845   -7.5044    0.0000 C   0  0
   14.1943   -1.1310    0.0000 O   0  0
   14.1943   -2.6310    0.0000 C   0  0  2  0  0  0
   12.8943   -3.3810    0.0000 C   0  0  1  0  0  0
   12.8943   -4.8810    0.0000 O   0  0
   11.5943   -2.6310    0.0000 C   0  0
   11.5943   -1.1310    0.0000 O   0  0
   10.2951   -3.3806    0.0000 O   0  0
   15.4943   -3.3810    0.0000 C   0  0
   15.4943   -4.8810    0.0000 O   0  0
   16.7936   -2.6315    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  7 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
  4 22  1  0
 22 23  1  0
 22 24  1  0
 26 25  1  1
 26 27  1  0
 27 28  1  1
 27 29  1  0
 29 30  1  0
 29 31  2  0
 26 32  1  0
 32 33  1  0
 32 34  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11685

> <plate>
PLATE 010

> <well>
B5

> <supplier_cmpd_name>
Tolterodine tartrate

> <ctcr_id>
7521

> <supplier_cmpd_id>
T0099

> <smiles>
CC(C)N(CC[C@H](c1ccccc1)c2cc(C)ccc2O)C(C)C.O[C@H]([C@@H](O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Tolterodine tartrate",124937-52-6,124937526,"124937 52 6","Detrol LA",Detrol,PNU-200583E,PNU200583E,"PNU 200583E",UNII-5T619TQR3R,UNII5T619TQR3R,"UNII 5T619TQR3R","Tolterodine L-Tartrate","Tolterodi
ne LTartrate","Tolterodine L Tartrate",Kabi-,Kabi,S2550,"Tolterodine tartrate (Detrol LA)"}

> <pdid>

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{443878}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
   -2.1929   -3.7413    0.0000 C   0  0
   -0.7292   -4.0692    0.0000 C   0  0
   -0.2816   -5.5018    0.0000 C   0  0
   -1.2977   -6.6063    0.0000 C   0  0
   -0.8500   -8.0388    0.0000 C   0  0
    0.6137   -8.3668    0.0000 O   0  0
   -1.8656   -9.1428    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0  2  0  0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0  2  0  0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  8  2  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 15  1  0
 21 22  1  6
 21 23  1  0
 23 12  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  1
 25 27  1  0
 27  8  1  0
 27 11  1  0
 27 28  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11686

> <plate>
PLATE 010

> <well>
B6

> <supplier_cmpd_name>
Deoxycholic acid

> <ctcr_id>
5839

> <supplier_cmpd_id>
T2965

> <smiles>
CC(CCC(O)=O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C

> <pd_targets>
{FPR1,GPBAR1,KSI,NR1H4,SLC10A2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Transcription factor",Transporter,Protease,"Family A G protein-coupled receptor",Isomerase,"Nuclear receptor","Electrochemical transporter","Cysteine protease","Peptide re
ceptor (family A GPCR)","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","Cysteine protease CA clan","N-formyl methionyl peptide re
ceptor","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group H","SLC10 family of sodium-bile acid co-transporters","Cysteine protease C1A family","Steroid-like liga
nd receptor","Nuclear hormone receptor subfamily 1 group H member 4"}

> <pathway_chembl>
{Receptors,Transporters,"G protein-coupled receptors","Nuclear hormone receptors","SLC superfamily of solute carriers","Formylpeptide receptors","Bile acid receptor","1H. Liver X receptor-like recepto
rs","SLC10 family of sodium-bile acid co-transporters"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Signaling by GPCR","Infectious disease","Metabolism of lipids","GPCR ligand binding","Leishmania infection","Metabolism of steroids","Class A/1 (Rhodopsin-li
ke receptors)","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Peptide ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","S
ynthesis of bile acids and bile salts","Recycling of bile acids and salts","Formyl peptide receptors bind formyl peptides and many other ligands","ADORA2B mediated anti-inflammatory cytokines producti
on","Synthesis of bile acids and bile salts via 27-hydroxycholesterol"}

> <broad_targets>
{FPR1,GPBAR1}

> <broad_moa>
{"biliverdin reductase A activator","G protein-coupled receptor agonist"}

> <synonyms>
{Spectrum_000629,Spectrum000629,Spectrum-000629,"Spectrum 000629",SpecPlus_000338,SpecPlus000338,SpecPlus-000338,"SpecPlus 000338",Spectrum2_000356,Spectrum2000356,Spectrum2-000356,"Spectrum2 000356",
Spectrum3_000110,Spectrum3000110,Spectrum3-000110,"Spectrum3 000110",Spectrum4_001389,Spectrum4001389,Spectrum4-001389,"Spectrum4 001389",Spectrum5_000098,Spectrum5000098,Spectrum5-000098,"Spectrum5 0
00098",BSPBio_001700,BSPBio001700,BSPBio-001700,"BSPBio 001700",KBioGR_001718,KBioGR001718,KBioGR-001718,"KBioGR 001718",KBioSS_001109,KBioSS001109,KBioSS-001109,"KBioSS 001109",SPECTRUM100566,DivK1c_
006434,DivK1c006434,DivK1c-006434,"DivK1c 006434",SPBio_000451,SPBio000451,SPBio-000451,"SPBio 000451",SCHEMBL14188098,KBio1_001378,KBio1001378,KBio1-001378,"KBio1 001378",KBio2_001109,KBio2001109,KBi
o2-001109,"KBio2 001109",KBio2_0036,KBio20036,KBio2-0036,"KBio2 0036",T2965,100566,"Deoxycholic acid","DEOXYCHOLIC ACID"}

> <pdid>
PD002269

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6708651}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 12  0  0  1  0            999 V2000
    7.5987    0.0016    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
    5.0987    0.0016    0.0000 H   0  3
  3  2  1  6
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  7 10  1  0
 10 11  1  6
 10 12  1  0
 12  3  1  0
 12 13  1  1
M  CHG  2   1  -1  14   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11687

> <plate>
PLATE 010

> <well>
B7

> <supplier_cmpd_name>
Glucosamine hydrochloride

> <ctcr_id>
4298

> <supplier_cmpd_id>
T2941

> <smiles>
[Cl-].N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.[H+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{IL1B}

> <broad_moa>
{"glycosylated protein precursor"}

> <synonyms>
{"glu-cosamine hydrochloride","glucosamine hydrochloride","3h-glucosamine hydrochloride","3hglucosamine hydrochloride",SCHEMBL21212,SPECTRUM1500316,HMS1920B13,Pharmakon1600-01500316,Pharmakon160001500
316,CCG-39600,CCG39600,NSC757051,NSC-757051,T4869,T4884,T0591,T0887,T4812,T0592,1500316,D-(+)-ALLOSE,±-D-Glucose,Alpha-D-galactose,D(+)-Glucose,D-Mannose,Mannose,"GLUCOSAMINE HYDROCHLORIDE"}

> <pdid>
PD159046

> <targets>
{Endogenous Metabolite}

> <classes>
{antiarthritic,Metabolic Enzyme/Protease}

> <pubchem_cids>
{9859210,11031243}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  1  0            999 V2000
    2.5981    0.0000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0  1  0  0  0
    3.8971   -3.7500    0.0000 C   0  0  2  0  0  0
    4.2297   -5.2071    0.0000 C   0  0
    5.7224   -5.3544    0.0000 C   0  0
    6.3238   -3.9802    0.0000 C   0  0  2  0  0  0
    6.6067   -3.0210    0.0000 O   0  0
    7.3153   -5.0895    0.0000 C   0  0
    8.7787   -4.7600    0.0000 O   0  0
    6.8692   -6.5225    0.0000 C   0  0
    7.8858   -7.6254    0.0000 O   0  0
    5.1962   -3.0000    0.0000 C   0  0  2  0  0  0
    6.1061   -2.5853    0.0000 C   0  0
    5.1962   -1.5000    0.0000 C   0  0
    3.8971   -0.7500    0.0000 C   0  0
    3.8971    0.7500    0.0000 O   0  0
    2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  2  1  0
  8  9  1  0
  9 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 15 21  1  0
 21 12  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  0
 24 25  2  0
 26 24  1  1
 26  2  1  0
 26 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11688

> <plate>
PLATE 010

> <well>
B8

> <supplier_cmpd_name>
Cortisone

> <ctcr_id>
4370

> <supplier_cmpd_id>
T2884

> <smiles>
C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23

> <pd_targets>
{PMP22,CHRM1,HSD17B10,CYP3A4,ALDH1A1}

> <pathway_gtopdb>
{"Unclassified protein","Membrane receptor",Enzyme,"Family A G protein-coupled receptor",Oxidoreductase,"Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Monoamin
e receptor","Cytochrome P450 family 3A","Acetylcholine receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Acetylcholine receptors (muscarinic)","CYP3 family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Metabolism,"Nervous system development","Signaling by GPCR","Metabolism of amino acids and derivatives","Metabolism of lipids","Biological oxidations","E
GR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Funct
ionalization of compounds","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Amine ligand-binding receptors","Biosynthesis of maresins","Muscarinic acetylc
holine receptors","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{cortisone,53-06-5,53065,"Kendall's compound E",Andreson,Cortisal,Cortisate,Cortistal,Cortivite,Cortogen,Cortone,"Reichstein's substance FA",Adrenalex,"Reichstein Fa","Wintersteiner's compound F",11-D
ehydro-17-hydroxycorticosterone,11Dehydro17hydroxycorticosterone,17-Hydroxy-11-dehydr,17Hydroxy11dehydr,SAM001246882,Prestw-273,CPD000058334,Cortisone}

> <pdid>
PD000442

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{222786}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  1  0            999 V2000
   -2.1929   -3.7413    0.0000 C   0  0
   -0.7292   -4.0692    0.0000 C   0  0
   -0.2816   -5.5018    0.0000 C   0  0
   -1.2977   -6.6063    0.0000 C   0  0
   -0.8500   -8.0388    0.0000 C   0  0
    0.6137   -8.3668    0.0000 O   0  0
   -1.8656   -9.1428    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0  2  0  0  0
    3.8971    0.7500    0.0000 O   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0  2  0  0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0  2  0  0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  8  2  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  1
 13 15  1  0
 16 15  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  1  6
 22 24  1  0
 24 12  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  1
 26 28  1  0
 28  8  1  0
 28 11  1  0
 28 29  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11689

> <plate>
PLATE 010

> <well>
B9

> <supplier_cmpd_name>
Cholic Acid

> <ctcr_id>
1127

> <supplier_cmpd_id>
T2963

> <smiles>
CC(CCC(O)=O)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C

> <pd_targets>
{GPBAR1,NR1H4,CYP3A4}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,"Family A G protein-coupled receptor","Nuclear receptor",Protease,"Cytochrome P450","Small molecule receptor (family A GPCR)","Nuclear hormone recept
or subfamily 1","Cysteine protease","Cytochrome P450 family 3","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group H","Cysteine protease CA clan","Cytochrome P450 
family 3A","Steroid-like ligand receptor","Nuclear hormone receptor subfamily 1 group H member 4","Cysteine protease C1A family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Nuclear hormone receptors","Cytochrome P450","Bile acid receptor","1H. Liver X receptor-like receptors","CYP3 family"}

> <pathway_reactome>
{Disease,Metabolism,"Infectious disease","Metabolism of lipids","Leishmania infection","Metabolism of steroids","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania parasite growth 
and survival","Bile acid and bile salt metabolism","Biosynthesis of DHA-derived SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts","Bio
synthesis of maresins","ADORA2B mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{ADH1C,CES1,COX4I1,COX5A,COX5B,COX6A2,COX6B1,COX6C,COX7A1,COX7B,COX7C,COX8A,ESRRG,FABP6,FECH,GPBAR1,MT-CO1,MT-CO2,MT-CO3,PLA2G1B}

> <broad_moa>
{"bile acid"}

> <synonyms>
{Spectrum_001167,Spectrum001167,Spectrum-001167,"Spectrum 001167",SpecPlus_000577,SpecPlus000577,SpecPlus-000577,"SpecPlus 000577",Spectrum2_000604,Spectrum2000604,Spectrum2-000604,"Spectrum2 000604",
Spectrum3_000632,Spectrum3000632,Spectrum3-000632,"Spectrum3 000632",Spectrum4_001887,Spectrum4001887,Spectrum4-001887,"Spectrum4 001887",Spectrum5_000514,Spectrum5000514,Spectrum5-000514,"Spectrum5 0
00514",BSPBio_002224,BSPBio002224,BSPBio-002224,"BSPBio 002224",KBioGR_002418,KBioGR002418,KBioGR-002418,"KBioGR 002418",KBioSS_001647,KBioSS001647,KBioSS-001647,"KBioSS 001647",DivK1c_006673,DivK1c00
6673,DivK1c-006673,"DivK1c 006673",SPECTRUM1500840,SPBio_000508,SPBio000508,SPBio-000508,"SPBio 000508",SCHEMBL13673287,KBio1_001617,KBio1001617,KBio1-001617,"KBio1 001617",KBio2_001647,KBio2001647,KB
io2-001647,"KBio2 001647",KBio2_004215,KBio2004215,KBio2-004215,"KBio2 004215",K,T2963,1500840,"Cholic Acid","CHOLIC ACID"}

> <pdid>
PD001558

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6708709}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    7.7884    1.5181    0.0000 F   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1821    3.0099    0.0000 C   0  0
    6.4772    3.7666    0.0000 O   0  0
    3.8787    3.7539    0.0000 N   0  0
    3.8682    5.2539    0.0000 C   0  0
    2.5640    5.9949    0.0000 C   0  0
    1.2702    5.2360    0.0000 N   0  0
    1.2806    3.7360    0.0000 C   0  0
    2.5847    2.9950    0.0000 C   0  0
   -0.0363    5.9747    0.0000 C   0  0
   -0.0493    7.4746    0.0000 O   0  0
   -1.3297    5.2135    0.0000 C   0  0
   -2.7509    5.2443    0.0000 C   0  0
   -1.9874    3.9532    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  7  1  0
 17 12  1  0
  5 18  1  0
 18 19  2  0
 19  2  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 25 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11690

> <plate>
PLATE 010

> <well>
B10

> <supplier_cmpd_name>
Olaparib

> <ctcr_id>
6030

> <supplier_cmpd_id>
T3015

> <smiles>
Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CC5

> <pd_targets>
{PARP10,TNKS2,PARP16,PARP1,PARP3,PARP2,TNKS,PARP12,PARP15,PARP4,PARP6}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{Disease,"Signal Transduction","DNA Repair","Infectious disease","Intracellular signaling by second messengers","Base Excision Repair","SARS-CoV Infections","PIP3 activates AKT signaling","Influenza I
nfection","Resolution of Abasic Sites (AP sites)","SARS-CoV-1 Infection","PTEN Regulation","Influenza Viral RNA Transcription and Replication","Resolution of AP sites via the multiple-nucleotide patch
 replacement pathway","Translation of structural proteins","Regulation of PTEN stability and activity","vRNA Synthesis","POLB-Dependent Long Patch Base Excision Repair","Maturation of nucleoprotein"}

> <broad_targets>
{PARP1,PARP2}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{Olaparib,763113-22-0,763113220,AZD2281,Lynparza,KU-0059436,KU0059436,"AZD 2281",AZD-2281,"Olaparib (AZD2281, Ku-0059436)","Olaparib (AZD2281, Ku0059436)",UNII-WOH1JD9AR8,UNIIWOH1JD9AR8,KU-59436,KU594
36,AZD2281(olaparib),MFCD13185161,WOH1JD9AR8,"Olaparib (AZD-2281)","Olaparib (AZD2281)",C24H23FN4O3,CHEBI:83766,AZ2281,937799-91-2,937799912,O,T3015,753686,S1060,olaparib}

> <pdid>
PD003576

> <targets>
{PARP,Autophagy,Mitophagy}

> <classes>
{Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{23725625}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
   18.5005   -0.6561    0.0000 H   0  3
   16.0005   -0.6561    0.0000 Cl  0  5
   -0.0060   -2.5971    0.0000 O   0  0
   -0.7540   -1.2970    0.0000 C   0  0
   -2.2621   -1.2970    0.0000 C   0  0
   -3.0162    0.0000    0.0000 C   0  0
   -3.8909    1.2065    0.0000 C   0  0
   -5.3236    0.7390    0.0000 C   0  0
   -5.3236   -0.7540    0.0000 C   0  0
   -3.8909   -1.2065    0.0000 C   0  0
   -2.2621    1.2970    0.0000 C   0  0
   -0.7540    1.2970    0.0000 C   0  0
   -0.0060    2.5971    0.0000 O   0  0
    0.0000    0.0000    0.0000 N   0  0
    1.5008   -0.0031    0.0000 C   0  0
    2.2493   -1.3039    0.0000 C   0  0
    3.7501   -1.3070    0.0000 C   0  0
    4.4987   -2.6078    0.0000 C   0  0
    5.9995   -2.6109    0.0000 N   0  0
    6.7496   -3.9099    0.0000 C   0  0
    8.2496   -3.9100    0.0000 C   0  0
    8.9996   -2.6110    0.0000 N   0  0
    8.2496   -1.3119    0.0000 C   0  0
    6.7496   -1.3119    0.0000 C   0  0
   10.5004   -2.6110    0.0000 C   0  0
   11.2525   -3.9089    0.0000 N   0  0
   12.7525   -3.9065    0.0000 C   0  0
   13.5005   -2.6063    0.0000 C   0  0
   12.7484   -1.3084    0.0000 C   0  0
   11.2484   -1.3108    0.0000 N   0  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
  6 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14  4  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 22 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11691

> <plate>
PLATE 010

> <well>
B11

> <supplier_cmpd_name>
Buspirone hydrochloride

> <ctcr_id>
523

> <supplier_cmpd_id>
T2132

> <smiles>
[H+].[Cl-].O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4

> <pd_targets>
{HTR1A,HTR1B,HTR1D,HTR1F,PMP22,HTR2A,HTR2B,HTR2C,KDM4E,ALDH1A1,FFP,ADRA2A,ADRA2B,ADRA2C,DRD2,ADRA1A,ADRA1B,ADRA1D,HIF1A,KCNH2,SIGMAR1,ABCB11,CYP3A4,CYP2D6,DRD1,DRD3,DRD4,DRD5,CHRM1,CYP2C9,HTR7,CYP1A2,
HTR6,SLC22A2,SLC47A2,SLC47A1}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Epigenetic regulator",Enzyme,"Transcription factor","Ion channel",Transporter,"Family A G protein-coupled receptor",Eraser,Oxidoreductase,Transferase,"Volt
age-gated ion channel","Primary active transporter","Cytochrome P450","Electrochemical transporter","Small molecule receptor (family A GPCR)","Lysine demethylase","Potassium channels","ATP-binding cas
sette","Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 family 1","SLC superfamily of solute carriers","Monoamine receptor","Jumonji domain-containing","Voltage-gated potassium c
hannel","ABCB subfamily","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Cytochrome P450 family 1A","SLC22 family of organic cation and anion transporters","SLC47 
family of multidrug and toxin extrusion transporters","Serotonin receptor","Adrenergic receptor","Dopamine receptor","Cytochrome P450 3A4","Cytochrome P450 2D6","Acetylcholine receptor","Cytochrome P4
50 2C9","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Other protein targets",Transporters,"Chromatin modifying enzymes","G protein-coupled receptors","Voltage-gated ion channels","Sigma receptors","ATP-binding cassette 
transporter family","Cytochrome P450","SLC superfamily of solute carriers","1.14.11.- Histone demethylases","5-Hydroxytryptamine receptors","Dopamine receptors","Potassium channels",Adrenoceptors,"ABC
B subfamily","CYP3 family","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","CYP1 family","SLC22 family of organic cation and anion transporters","SLC47 family of multidr
ug and toxin extrusion transporters","Voltage-gated potassium channels","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Developmental Biology",Metabolism,"Signal Transduction","Cellular responses to external stimuli","Muscle contraction",Disease,"Transport of small molecules","Nervous system development","Biological 
oxidations","Signaling by GPCR","Cellular responses to stress","Cardiac conduction","Infectious disease","Metabolism of lipids","SLC-mediated transmembrane transport","EGR2 and SOX10-mediated initiati
on of Schwann cell myelination","Phase I - Functionalization of compounds","GPCR ligand binding","Cellular response to hypoxia","Phase 3 - rapid repolarisation","SARS-CoV Infections","Metabolism of st
eroids","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Transport of bile salts and organic acids","metal ions and amine compounds","Ethanol oxidation","Class A/1 (
Rhodopsin-like receptors)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Potential therapeutics for SARS","Bile acid and bile salt metabolism","Biosynthesis of DHA-derive
d SPMs","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Organic cation/anion/zwitterion transport","Amine ligand-binding receptors","Synthesis of bile acids a
nd bile salts","Biosynthesis of maresins",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Organic cation transport","Serotonin receptors","Dopamine receptors",Adrenoc
eptors,"Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflamm
atory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{DRD2,HTR1A}

> <broad_moa>
{"serotonin receptor agonist"}

> <synonyms>
{"Buspirone hydrochloride",33386-08-2,33386082,Buspar,"Buspirone HCL",Narol,Buspimen,"Buspirone (hydrochloride)",UNII-207LT9J9OC,UNII207LT9J9OC,"MJ 9022-1","MJ 90221",C21H32ClN5O2,MLS000069796,207LT9J
9OC,CHEBI:3224,Bespar,Apo-Buspirone,ApoBuspirone,MFCD00078569,MJ-9022-1,MJ90221,Ansitec,Anxinil,Anx,T2132,SAM002264597,2300173,Prestw-1283,CPD000058186,"BUSPIRONE HYDROCHLORIDE"}

> <pdid>
PD009997

> <targets>
{}

> <classes>
{anxiolytic,"5HT1a receptor agonist"}

> <pubchem_cids>
{36431,25137845,44658940}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 84 89  0  0  0  0            999 V2000
   -7.7776  -20.9282    0.0000 C   0  0
   -8.9879  -21.8142    0.0000 C   0  0
  -10.3616  -21.2096    0.0000 N   0  0
  -11.5726  -22.0962    0.0000 C   0  0
  -11.4099  -23.5874    0.0000 O   0  0
  -12.9439  -21.4927    0.0000 C   0  0
  -14.2439  -22.2411    0.0000 C   0  0
  -15.3573  -21.2359    0.0000 C   0  0
  -14.7454  -19.8664    0.0000 C   0  0
  -13.2685  -20.0414    0.0000 N   0  0
  -12.2651  -18.9253    0.0000 C   0  0
  -10.7977  -19.2365    0.0000 O   0  0
  -12.7291  -17.4979    0.0000 C   0  0
  -14.1966  -17.1835    0.0000 C   0  0
  -14.6590  -15.7557    0.0000 C   0  0
  -16.1265  -15.4413    0.0000 C   0  0
  -16.5889  -14.0135    0.0000 N   0  0
  -18.0564  -13.6991    0.0000 C   0  0
  -18.5186  -12.2721    0.0000 N   0  0
  -19.0616  -14.8125    0.0000 N   0  0
  -11.7257  -16.3818    0.0000 N   0  0
  -12.1896  -14.9545    0.0000 C   0  0
  -13.6570  -14.6433    0.0000 O   0  0
  -11.1862  -13.8384    0.0000 C   0  0
   -9.7174  -14.1468    0.0000 C   0  0
   -8.7153  -13.0296    0.0000 C   0  0
   -7.2473  -13.3378    0.0000 C   0  0
   -9.0264  -12.0792    0.0000 C   0  0
  -11.6502  -12.4111    0.0000 N   0  0
  -10.6468  -11.2950    0.0000 C   0  0
   -9.6686  -11.5025    0.0000 O   0  0
  -11.1108   -9.8677    0.0000 C   0  0
  -12.5782   -9.5565    0.0000 C   0  0
  -10.1074   -8.7516    0.0000 N   0  0
  -10.5714   -7.3243    0.0000 C   0  0
  -12.0387   -7.0131    0.0000 O   0  0
   -9.5680   -6.2082    0.0000 C   0  0
   -8.0992   -6.5166    0.0000 C   0  0
   -7.0970   -5.3994    0.0000 C   0  0
   -7.5602   -3.9726    0.0000 C   0  0
   -6.5564   -2.8581    0.0000 C   0  0
   -5.0892   -3.1702    0.0000 C   0  0
   -4.6259   -4.5968    0.0000 C   0  0
   -5.6298   -5.7114    0.0000 C   0  0
   -4.0853   -2.0556    0.0000 O   0  0
  -10.0320   -4.7809    0.0000 N   0  0
   -9.0286   -3.6648    0.0000 C   0  0
   -8.0503   -3.8723    0.0000 O   0  0
   -9.4925   -2.2375    0.0000 C   0  0
  -10.9601   -1.9231    0.0000 C   0  0
  -11.4222   -0.4961    0.0000 O   0  0
   -8.4892   -1.1214    0.0000 N   0  0
   -8.9531    0.3059    0.0000 C   0  0
  -10.4205    0.6171    0.0000 O   0  0
   -7.9497    1.4220    0.0000 C   0  0
   -6.4809    1.1137    0.0000 C   0  0
   -5.4805    2.2289    0.0000 C   0  0
   -5.7978    3.6950    0.0000 C   0  0
   -4.5016    4.4499    0.0000 N   0  0
   -3.3839    3.4507    0.0000 C   0  0
   -1.8927    3.6131    0.0000 C   0  0
   -1.0065    2.4029    0.0000 C   0  0
   -1.6115    1.0303    0.0000 C   0  0
   -3.1027    0.8679    0.0000 C   0  0
   -3.9889    2.0781    0.0000 C   0  0
   -8.4137    2.8493    0.0000 N   0  0
   -7.4103    3.9654    0.0000 C   0  0
   -6.4321    3.7579    0.0000 O   0  0
   -7.8743    5.3927    0.0000 C   0  0
   -9.3418    5.7071    0.0000 C   0  0
   -9.8042    7.1349    0.0000 C   0  0
  -11.2227    7.5820    0.0000 C   0  0
  -11.2182    9.0820    0.0000 N   0  0
   -9.7902    9.5412    0.0000 C   0  0
   -8.9122    8.3250    0.0000 N   0  0
   -6.8709    6.5088    0.0000 N   0  0
   -7.3349    7.9361    0.0000 C   0  0
   -8.3131    8.1436    0.0000 O   0  0
   -6.3315    9.0522    0.0000 C   0  0
   -6.6561   10.5036    0.0000 C   0  0
   -5.3561   11.2520    0.0000 C   0  0
   -4.2427   10.2468    0.0000 C   0  0
   -2.7750   10.5568    0.0000 O   0  0
   -4.8545    8.8773    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 18 20  1  0
 13 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 24 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  2  3
 40 41  1  0
 41 42  2  3
 42 43  1  0
 43 44  2  3
 44 39  1  0
 42 45  1  0
 37 46  1  0
 46 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  0
 50 51  1  0
 49 52  1  0
 52 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  2  3
 58 59  1  0
 59 60  1  0
 60 61  2  3
 61 62  1  0
 62 63  2  3
 63 64  1  0
 64 65  2  3
 65 60  1  0
 65 57  1  0
 55 66  1  0
 66 67  1  0
 67 68  2  0
 67 69  1  0
 69 70  1  0
 70 71  1  0
 71 72  2  3
 72 73  1  0
 73 74  2  3
 74 75  1  0
 75 71  1  0
 69 76  1  0
 76 77  1  0
 77 78  2  0
 77 79  1  0
 79 80  1  0
 80 81  1  0
 81 82  1  0
 82 83  2  0
 82 84  1  0
 84 79  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11692

> <plate>
PLATE 010

> <well>
C2

> <supplier_cmpd_name>
Alarelin

> <ctcr_id>
11039

> <supplier_cmpd_id>
T1494

> <smiles>
CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6

> <pd_targets>
{GNRHR}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","GnRH receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Gonadotrophin-releasing hormone receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Hormone ligand-binding receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ALARELIN,"ALARELIN ACETATE",79561-22-1,79561221,CHEMBL3903794,148029-26-9,148029269,T1494,Alarelin}

> <pdid>
PD053921

> <targets>
{GNRHR}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{12821050}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    3.8794    3.7535    0.0000 O   0  0
    5.1821    3.0099    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6890   -4.0818    0.0000 C   0  0
    0.2237   -5.5078    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -3.8976    0.7553    0.0000 O   0  0
   -2.5951    3.0031    0.0000 O   0  0
    5.2007   -1.4909    0.0000 C   0  0
    5.2059   -2.9909    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.7988   -1.4819    0.0000 O   0  0
    6.4920    0.7636    0.0000 C   0  0
    7.7884    1.5180    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17  7  1  0
 17 11  1  0
 10 18  1  0
 18 19  1  0
 18 20  2  0
  5 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25  3  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11693

> <plate>
PLATE 010

> <well>
C3

> <supplier_cmpd_name>
Geniposidic Acid

> <ctcr_id>
4154

> <supplier_cmpd_id>
T2136

> <smiles>
OCC1OC(OC2OC=C(C3CC=C(CO)C23)C(O)=O)C(O)C(O)C1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{NSC282171,NSC-282171,LS-14518,LS14518,FT-0626643,FT0626643,T2136,S2413,"Geniposidic Acid","Geniposidic acid"}

> <pdid>
PD011966

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{323273}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

102110  0  0  1  0            999 V2000
   16.1899   -3.0393    0.0000 Cl  0  0
   11.1012    8.5251    0.0000 C   0  0
    9.8002    7.7786    0.0000 N   0  0
    8.5020    8.5317    0.0000 C   0  0
    8.5086   10.0325    0.0000 C   0  0
    9.8112   10.7779    0.0000 C   0  0
    9.8179   12.2779    0.0000 C   0  0
   11.1072   10.0226    0.0000 C   0  0
    7.1994    7.7862    0.0000 C   0  0
    5.9034    8.5416    0.0000 O   0  0
    7.1927    6.2854    0.0000 N   0  0
    5.8900    5.5400    0.0000 C   0  0  2  0  0  0
    4.5900    6.2900    0.0000 C   0  0  2  0  0  0
    4.5974    7.7900    0.0000 O   0  0
    3.2600    5.5400    0.0000 C   0  0
    1.9600    6.2900    0.0000 C   0  0
    0.6600    5.5400    0.0000 C   0  0
    0.6600    4.0500    0.0000 C   0  0
   -0.3100    3.1000    0.0000 O   0  0
   -0.5200    1.8300    0.0000 C   0  0
    0.7700    1.0900    0.0000 C   0  0
    0.7700   -0.3800    0.0000 C   0  0
   -0.5200   -1.1200    0.0000 C   0  0
   -1.8200   -0.3800    0.0000 C   0  0
   -3.5700   -1.2400    0.0000 O   0  0
   -3.5700   -2.6300    0.0000 C   0  0
   -4.8800   -3.3900    0.0000 C   0  0
   -4.8800   -4.9100    0.0000 C   0  0
   -3.5700   -5.6700    0.0000 C   0  0
   -2.2700   -4.9100    0.0000 C   0  0
   -2.2700   -3.3900    0.0000 C   0  0
   -0.9689   -2.6435    0.0000 Cl  0  0
   -3.5700   -7.2900    0.0000 C   0  0  1  0  0  0
   -4.8727   -8.0336    0.0000 O   0  0
   -2.0800   -8.1700    0.0000 C   0  0
   -0.7700   -7.3700    0.0000 N   0  0
   -0.7200   -5.6100    0.0000 C   0  0
   -1.5414   -5.0397    0.0000 O   0  0
    0.6600   -5.0500    0.0000 C   0  0
    0.6600   -3.5500    0.0000 N   0  0
    2.0000   -2.8000    0.0000 C   0  0
    3.2803   -3.5816    0.0000 O   0  0
    2.0600   -1.1200    0.0000 C   0  0
    3.3700   -0.3800    0.0000 N   0  0
    3.3700    1.0900    0.0000 C   0  0
    2.5063    1.5941    0.0000 O   0  0
    4.6800    1.8300    0.0000 C   0  0
    6.0006    1.1186    0.0000 C   0  0
    7.2781    1.9063    0.0000 C   0  0
    8.5987    1.1950    0.0000 O   0  0
    7.2489    2.9059    0.0000 N   0  0
    4.5900    3.3200    0.0000 N   0  0
    5.8900    4.0500    0.0000 C   0  0
    6.7530    3.5448    0.0000 O   0  0
    1.9600   -5.8800    0.0000 C   0  0
    3.2600   -5.1500    0.0000 C   0  0
    4.5400   -5.9700    0.0000 C   0  0
    4.5100   -7.4800    0.0000 C   0  0
    5.7992   -8.2468    0.0000 O   0  0
    3.2100   -8.2200    0.0000 C   0  0
    1.9100   -7.3800    0.0000 C   0  0
    3.1700   -9.7500    0.0000 C   0  0
    4.4800  -10.5800    0.0000 C   0  0
    5.7902   -9.8496    0.0000 O   0  0
    4.5000  -12.3900    0.0000 C   0  0
    3.3800  -13.1000    0.0000 C   0  0
    3.4429  -14.5987    0.0000 O   0  0
    2.0200  -12.3900    0.0000 C   0  0
    2.0200  -10.8300    0.0000 C   0  0
    0.7700   -9.8900    0.0000 C   0  0  2  0  0  0
   -0.5400  -10.5100    0.0000 N   0  0
   -2.0200   -9.8900    0.0000 C   0  0
   -3.2542  -10.7425    0.0000 O   0  0
    0.8956   -8.3950    0.0000 C   0  0
    2.2522   -7.7550    0.0000 O   0  0
    0.0741   -7.8249    0.0000 O   0  0
   -1.8200    1.0900    0.0000 C   0  0
   -3.1195    1.8410    0.0000 O   0  0
   -3.1200    3.3418    0.0000 C   0  0  2  0  0  0
   -1.8195    4.0896    0.0000 O   0  0
   -1.8169    5.5896    0.0000 C   0  0
   -0.5142    6.3350    0.0000 C   0  0
   -0.5097    7.3350    0.0000 O   0  0
   -3.1145    6.3419    0.0000 C   0  0  1  0  0  0
   -3.1118    7.8419    0.0000 O   0  0
   -4.4149    5.5943    0.0000 C   0  0  2  0  0  0
   -5.7126    6.3466    0.0000 O   0  0
   -4.4176    4.0943    0.0000 C   0  0  1  0  0  0
   -5.7203    3.3489    0.0000 O   0  0
   -7.0176    4.1036    0.0000 C   0  0  1  0  0  0
   -8.3207    3.3605    0.0000 C   0  0
   -9.6157    4.1174    0.0000 C   0  0  2  0  0  0
  -10.8925    4.9046    0.0000 C   0  0
   -9.5884    2.6176    0.0000 N   0  0
   -9.6078    5.6174    0.0000 C   0  0  2  0  0  0
  -10.9028    6.3742    0.0000 O   0  0
   -8.3048    6.3605    0.0000 C   0  0  2  0  0  0
   -8.2968    7.8605    0.0000 C   0  0
   -7.0097    5.6036    0.0000 O   0  0
    1.9600    3.3200    0.0000 C   0  0
    1.9600    2.3200    0.0000 Cl  0  0
    3.2600    4.0500    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  4  9  1  0
  9 10  2  0
  9 11  1  0
 12 11  1  1
 12 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 29 33  1  0
 33 34  1  6
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
 43 22  1  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 45 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  2  0
 49 51  1  0
 47 52  1  0
 52 53  1  0
 53 12  1  0
 53 54  2  0
 39 55  1  0
 55 56  2  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 58 60  1  0
 60 61  2  0
 61 55  1  0
 60 62  1  0
 62 63  2  0
 63 64  1  0
 63 65  1  0
 65 66  2  0
 66 67  1  0
 66 68  1  0
 68 69  2  0
 69 62  1  0
 69 70  1  0
 70 71  1  0
 71 72  1  0
 72 35  1  0
 72 73  2  0
 70 74  1  6
 74 75  2  0
 74 76  1  0
 24 77  2  0
 77 20  1  0
 77 78  1  0
 79 78  1  1
 79 80  1  0
 80 81  1  0
 81 82  1  0
 82 83  1  0
 81 84  1  0
 84 85  1  6
 84 86  1  0
 86 87  1  1
 86 88  1  0
 88 79  1  0
 88 89  1  6
 90 89  1  1
 90 91  1  0
 91 92  1  0
 92 93  1  1
 92 94  1  0
 92 95  1  0
 95 96  1  6
 95 97  1  0
 97 98  1  6
 97 99  1  0
 99 90  1  0
 18100  1  0
100101  1  0
100102  2  0
102 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11694

> <plate>
PLATE 010

> <well>
C4

> <supplier_cmpd_name>
Vancomycin hydrochloride

> <ctcr_id>
2477

> <supplier_cmpd_id>
T0832

> <smiles>
Cl.CNC(CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)C6NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)N)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8[C@H](NC6=O)C(=O)O)c3O[C@@H]9OC(CO)[C@@H](O)[C@H](O)[C@H]9O[C
@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2

> <pd_targets>
{SLC6A2,ALB,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,MURG,VANX,MRAY,SLC6A4,ALDH1A1}

> <pathway_gtopdb>
{Transporter,"Secreted protein","Membrane receptor",Enzyme,"Electrochemical transporter","Family A G protein-coupled receptor",Transferase,Protease,Oxidoreductase,"SLC superfamily of solute carriers",
"Small molecule receptor (family A GPCR)","Metallo protease","SLC06 neurotransmitter transporter family","Monoamine receptor","Metallo protease MD clan","Adrenergic receptor","Metallo protease M15 fam
ily","Metallo protease M15D subfamily"}

> <pathway_chembl>
{Transporters,Receptors,"SLC superfamily of solute carriers","G protein-coupled receptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"Monoamine transporter subfamily"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Signal Transduction","Metabolism of lipids","Transmission across Chemical Synapses","Biological oxidations","Signaling by GPCR","Metabolism of steroids","Neurotransmitte
r clearance","Phase I - Functionalization of compounds","GPCR ligand binding","Bile acid and bile salt metabolism","Serotonin clearance from the synaptic cleft","Ethanol oxidation","Class A/1 (Rhodops
in-like receptors)","Recycling of bile acids and salts","Amine ligand-binding receptors",Adrenoceptors}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{RESTW49,"Vancomycin, hydrochloride","VANCOMYCIN HYDROCHLORIDE",1404-93-9,1404939,C66H75Cl2N9O24.HCl,AKOS025310179,CCG-220497,CCG220497,J10024,404V939,"Vancomycin, Antibiotic for Culture Media Use Onl
y",Q-201919,Q201919,Q-201920,Q201920,"Vancomycin hydrochloride","Antibiotic for Culture",T0832,Prestw-497}

> <pdid>
PD009986

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{24721356}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    2.6016   -2.9971    0.0000 O   0  0
    1.3070   -5.2502    0.0000 C   0  0
    0.0080   -6.0003    0.0000 C   0  0
    0.0080   -7.5003    0.0000 C   0  0
    1.3071   -8.2503    0.0000 C   0  0
    2.6061   -7.5003    0.0000 C   0  0
    2.6060   -6.0003    0.0000 C   0  0
    3.9074   -5.2525    0.0000 C   0  0
    5.2053   -6.0044    0.0000 O   0  0
    3.9100   -3.7525    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11695

> <plate>
PLATE 010

> <well>
C5

> <supplier_cmpd_name>
Ftaxilide

> <ctcr_id>
11040

> <supplier_cmpd_id>
T0144

> <smiles>
Cc1cccc(C)c1NC(=O)c1ccccc1C(=O)O

> <pd_targets>
{POLB}

> <pathway_gtopdb>
{Enzyme}

> <pathway_chembl>
{}

> <pathway_reactome>
{"DNA Repair","Base Excision Repair","Resolution of Abasic Sites (AP sites)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","PCNA-Dependent Long Patch Base Excision Rep
air"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Ftaxilide,19368-18-4,19368184,"2',6'-Dimethylphthalanilic acid","2',6'Dimethylphthalanilic acid",UNII-7Z71845H3F,UNII7Z71845H3F,"2-((2,6-dimethylphenyl)carbamoyl)benzoic acid","2((2,6dimethylphenyl)c
arbamoyl)benzoic acid",Histanorm,MP-12-P,MP12P,"2-(((2,6-Dimethylphenyl)amino)carbonyl)benzoic acid","2(((2,6Dimethylphenyl)amino)carbonyl)benzoic acid",MFCD00029943,7Z71845H3F,NCGC00160683-01,NCGC001
6068301,DSSTox_CID_263,DSSToxCID263,DSSTox-CID-263,"DSSTox CID 263",T0144}

> <pdid>
PD001473

> <targets>
{Antibacterial}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{71895}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 30  0  0  1  0            999 V2000
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    1.2997    2.2504    0.0000 C   0  0
    2.5993    1.5013    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8913    0.5721    0.0000 C   0  0
   -3.8040   -0.9254    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 C   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  6
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24  6  1  0
 24 25  1  0
 25 17  2  0
 26 25  1  1
 26  8  1  0
 26 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11696

> <plate>
PLATE 010

> <well>
C6

> <supplier_cmpd_name>
Vinpocetine

> <ctcr_id>
5817

> <supplier_cmpd_id>
T0167

> <smiles>
CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c5ccccc5n1c4[C@H]23

> <pd_targets>
{KMT2A,MEN1,BLM,HIF1A,KCNH2,PDE1A,PDE1B,RORC,LMNA,KDM4E,TGR,PDE1C,MAPT,ALDH1A1,PMP22,FFP}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor","Ion channel","Other nuclear protein","Other cytosolic protein","Unclassified protein",Reader,"Voltage-gated ion channel",Phosphodiesterase,"Nucle
ar receptor",Eraser,Oxidoreductase,Transferase,Bromodomain,"Potassium channels","Phosphodiesterase 1","Nuclear hormone receptor subfamily 1","Lysine demethylase","Voltage-gated potassium channel","Pho
sphodiesterase 1A","Nuclear hormone receptor subfamily 1 group F","Jumonji domain-containing","Phosphodiesterase 1C","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Ion channels",Receptors,Enzymes,"Voltage-gated ion channels","Nuclear hormone receptors","Cyclic nucleotide turnover/signalling","Chromatin modifying enzymes","Potassium channels","1F. Retinoic acid
-related orphans",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","1.14.11.- Histone demethylases","Voltage-gated potassium channels"}

> <pathway_reactome>
{"DNA Repair","Cellular responses to external stimuli","Muscle contraction","Gene expression (Transcription)","Signal Transduction","Cell Cycle","Neuronal System",Metabolism,"Developmental Biology","D
NA Double-Strand Break Repair","Cellular responses to stress","Cardiac conduction","RNA Polymerase II Transcription","Intracellular signaling by second messengers",Mitotic,"Transmission across Chemica
l Synapses","Biological oxidations","Nervous system development","Homology Directed Repair","Cellular response to hypoxia","Phase 3 - rapid repolarisation","Generic Transcription Pathway","DAG and IP3
 signaling","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","HDR
 through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","CaM pathway"
,"Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cell Migr
ation","Calmodulin induced events","Mitotic Anaphase","Post NMDA receptor activation events","Homologous DNA Pairing and Strand Exchange","Cam-PDE 1 activation","Nuclear Envelope (NE) Reassembly","Act
ivation of AMPK downstream of NMDARs","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{PDE1A,PDE1C}

> <broad_moa>
{"phosphodiesterase inhibitor","sodium channel blocker"}

> <synonyms>
{RESTW26,vinpocetine,42971-09-5,42971095,Cavinton,Ceractin,"Apovincaminic acid ethyl ester","Ethyl apovincamin-22-oate","Ethyl apovincamin22oate",TCV-3B,TCV3B,"Ethyl (+)-apovincaminate","Ethyl (+)apov
incaminate","cis-Apovincaminic acid ethyl ester","cisApovincaminic acid ethyl ester","RGH 4405","(+)-Apovincaminic acid ethyl ester","(+)Apovincaminic acid ethyl ester","Ethyl (+)-cis-apovinca","Ethyl
 (+)cisapovinca",T0167,1503115,Prestw-268,Vinpocetine,VINPOCETINE}

> <pdid>
PD001069

> <targets>
{IKK,Phosphodiesterase (PDE),Sodium Channel}

> <classes>
{antimotion,cerebral vasodilator,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{443955}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 58 61  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    7.7928   -6.0048    0.0000 C   0  0
    9.0914   -5.2526    0.0000 C   0  0
   10.3931   -5.9981    0.0000 C   0  0
   11.6896   -5.2436    0.0000 C   0  0
   11.6844   -3.7436    0.0000 C   0  0
   10.3828   -2.9981    0.0000 C   0  0
    9.0864   -3.7526    0.0000 C   0  0
   18.0831   -3.7516    0.0000 C   0  0
   19.3834   -3.0039    0.0000 C   0  0
   19.3856   -1.5031    0.0000 C   0  0
   20.6859   -0.7553    0.0000 O   0  0
   18.0874   -0.7500    0.0000 C   0  0
   18.0873    0.7500    0.0000 C   0  0
   16.7883    1.5000    0.0000 C   0  0
   15.4893    0.7500    0.0000 C   0  0
   14.1902    1.5000    0.0000 O   0  0
   15.4893   -0.7500    0.0000 C   0  0
   16.7883   -1.5000    0.0000 C   0  0
   20.6816   -3.7570    0.0000 N   0  0
   20.6817   -5.2570    0.0000 C   0  0
   21.9807   -6.0070    0.0000 C   0  0
   23.2798   -5.2571    0.0000 C   0  0
   23.2798   -3.7571    0.0000 C   0  0
   21.9808   -3.0070    0.0000 C   0  0
   24.5811   -6.0048    0.0000 C   0  0
   25.8798   -5.2526    0.0000 C   0  0
   27.1814   -5.9981    0.0000 C   0  0
   28.4779   -5.2436    0.0000 C   0  0
   28.4727   -3.7436    0.0000 C   0  0
   27.1711   -2.9981    0.0000 C   0  0
   25.8747   -3.7526    0.0000 C   0  0
   34.8779   -0.3783    0.0000 O   0  0
   34.8779   -1.8783    0.0000 C   0  0
   33.5779   -2.6283    0.0000 C   0  0
   33.5779   -4.1283    0.0000 O   0  0
   32.2779   -1.8783    0.0000 C   0  0
   32.2779   -0.3783    0.0000 O   0  0
   30.9786   -2.6279    0.0000 O   0  0
   36.1779   -2.6283    0.0000 C   0  0
   36.1779   -4.1283    0.0000 O   0  0
   37.4771   -1.8788    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35 29  1  0
 26 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 36  1  0
 39 42  1  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 51 53  1  0
 53 54  1  0
 53 55  2  0
 50 56  1  0
 56 57  1  0
 56 58  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11697

> <plate>
PLATE 010

> <well>
C7

> <supplier_cmpd_name>
Ifenprodil Tartrate

> <ctcr_id>
6541

> <supplier_cmpd_id>
T1186

> <smiles>
CC(C(O)c1ccc(O)cc1)N2CCC(CC2)Cc3ccccc3.CC(C(O)c4ccc(O)cc4)N5CCC(CC5)Cc6ccccc6.OC(C(O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ifenprodil tartrate","IFENPRODIL HEMITARTRATE",23210-58-4,23210584,"Ifenprodil tartrate salt","Ifenprodil (+)-tartrate salt","Ifenprodil (+)tartrate salt",CHEMBL1372983,HMS3262E03,HMS3266K10,HMS3652
G12,Tox21_500661,Tox21500661,Tox21-500661,"Tox21 500661",AKOS025311454,CCG-221965,CCG221965,LP00661,NCGC00016156-02,NCGC0001615602,NCGC000,S4091,"Ifenprodil Tartrate"}

> <pdid>

> <targets>
{GluR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{11957579}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    2.4298   -5.7148    0.0000 C   0  0
    0.9385   -5.5534    0.0000 N   0  0
    3.9219   -5.8762    0.0000 C   0  0
    4.8085   -4.6653    0.0000 C   0  0  2  0  0  0
    6.3008   -4.8250    0.0000 C   0  0
    7.2881   -3.7128    0.0000 C   0  0
    8.6555   -4.3295    0.0000 C   0  0
    8.4915   -5.8205    0.0000 C   0  0
    7.0228   -6.1253    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   12.4555   -2.3127    0.0000 P   0  0
   11.1562   -3.0622    0.0000 O   0  0
   13.7548   -3.0622    0.0000 O   0  0
   12.4555   -0.8127    0.0000 O   0  0
   12.4555   -3.8127    0.0000 O   0  0
  1  2  3  0
  1  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 19  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 24 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11698

> <plate>
PLATE 010

> <well>
C8

> <supplier_cmpd_name>
Ruxolitinib (INCB-18424) phosphate

> <ctcr_id>
11041

> <supplier_cmpd_id>
T3043

> <smiles>
C(#N)C[C@H](C1CCCC1)n1ncc(c1)c1ncnc2c1cc[nH]2.P(=O)(O)(O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ruxolitinib phosphate",1092939-17-7,1092939177,Jakafi,Jakavi,"Ruxolitinib (phosphate)","Ruxolitinib phosphate salt",UNII-436LRU32H5,UNII436LRU32H5,"INCB018424 SALT",CHEBI:66917,436LRU32H5,"1092939-1
7-7 (phosphate)","1092939177 (phosphate)",INC-424,INC424,INCB-18424,INCB18424,"INCB 018424 phosphate",T3043,"Ruxolitinib (INCB-18424) phosphate"}

> <pdid>

> <targets>
{JAK,JAK1,JAK2}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,"JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{25127112}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 23  0  0  1  0            999 V2000
   -0.6010    4.3285    0.0000 C   0  0
    0.1500    3.0300    0.0000 C   0  0  2  0  0  0
    1.8400    3.0300    0.0000 C   0  0
    2.6900    1.5700    0.0000 C   0  0
    1.8400    0.1000    0.0000 C   0  0  1  0  0  0
    2.6900   -1.3600    0.0000 C   0  0  1  0  0  0
    4.1900   -1.3600    0.0000 C   0  0
    1.8400   -2.8200    0.0000 C   0  0
    2.5876   -4.1204    0.0000 O   0  0
    0.1500   -2.8200    0.0000 O   0  0
   -0.6900   -1.3600    0.0000 C   0  0  2  0  0  0
   -1.9100   -1.3600    0.0000 O   0  0
   -2.7600   -0.5000    0.0000 C   0  0  1  0  0  0
   -1.3725    0.0700    0.0000 C   0  0
   -2.7600    0.7100    0.0000 C   0  0
   -1.9100    1.5700    0.0000 C   0  0
   -0.6900    1.5700    0.0000 C   0  0  2  0  0  0
    0.1500    0.1000    0.0000 C   0  0  1  0  0  0
   -1.1700    0.6900    0.0000 O   0  0
   -2.1000    0.1500    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  0
  8 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 17 16  1  1
 17  2  1  0
 17 18  1  0
 18  5  1  0
 18 11  1  0
 18 19  1  6
 19 20  1  0
 20 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11699

> <plate>
PLATE 010

> <well>
C9

> <supplier_cmpd_name>
Dihydroartemisinin

> <ctcr_id>
6751

> <supplier_cmpd_id>
T0607

> <smiles>
C[C@@H]1CC[C@H]2[C@@H](C)C(O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4

> <pd_targets>
{LMNA,TP53,ALDH1A1,HTT,CYP3A4,SERCA}

> <pathway_gtopdb>
{"Other nuclear protein","Transcription factor",Enzyme,"Unclassified protein",Oxidoreductase,"Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Gene expression (Transcription)",Mitotic,"Cell Cycle Checkpoints","Biological oxidations","RNA Polymerase II Transcription","Metabolism of lipids","M Phase","G1/S DNA Damage 
Checkpoints","Phase I - Functionalization of compounds","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic Metaphase and Anaphase","p53-Dependent G1/S
 DNA damage checkpoint","Ethanol oxidation","Transcriptional Regulation by MECP2","Biosynthesis of DHA-derived SPMs","Mitotic Anaphase","p53-Dependent G1 DNA Damage Response","Regulation of MECP2 expr
ession and activity","Biosynthesis of maresins","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","Autodeg
radation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{}

> <broad_moa>
{"antimalarial agent"}

> <synonyms>
{Artenimol,Dihydroartemisinin,CHEBI:207229,Cotecxin,CHEMBL25164,Dihydroqinghaosu,beta-Dihydroartemisinin,betaDihydroartemisinin,"Dihydroartemisinin (mixture of |A and |A isomers)",131175-87-6,13117587
6,"dihydroartemisinin group","dihydroartemisinin derivatives",SCHEMBL60968,BDBM,1504143,ARTENIMOL}

> <pdid>
PD001263

> <targets>
{Apoptosis,Autophagy,NF-ºB,Parasite}

> <classes>
{antimalarial,antiinflammatory,Anti-infection,Apoptosis,Autophagy,NF-ºB}

> <pubchem_cids>
{6918483}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 O   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -7.7905   -3.0071    0.0000 O   0  0
   -5.1925   -3.0071    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
  7 18  2  0
 18  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11700

> <plate>
PLATE 010

> <well>
C10

> <supplier_cmpd_name>
Piceatannol

> <ctcr_id>
7259

> <supplier_cmpd_id>
T0610

> <smiles>
Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1

> <pd_targets>
{THRB,PMP22,CDPK,LCK,MYLK,SMN1,L3MBTL1,NPC1,KDM4E,SYK,LMNA,TDP1,MAPT,BLM,DYRK1A,ALOX12,HPGD,POLB,ALDH1A1,FFP,KMT2A,MEN1,GMNN,TGR,ALD,STK33,GFER,ALOX5,MTOR,GLO1,MARK4,PRKCQ,DYRK1B,CSNK1A1,ALK,RET,MAP4K
4,LRRK2,CLK2,CAMK2A,STK3,ROCK2,SGK2,ROS1,PTK2,PRKX,GRK5,TAOK1,GSK3A,SIK2,TYRO3,HCK,CAMKK2,JAK3,PIM1,ROCK1,PRKACA,CAMK1D,MAPK10,JAK2,TNK2,FGFR1,MELK,PDGFRA,TBK1,LTK,MARK3,ACVR1,BTK,CDK8,IKBKE,MAP3K10,R
PS6KA3,GSK3B,FLT1,CASP6}

> <pathway_gtopdb>
{"Transcription factor","Unclassified protein",Enzyme,"Epigenetic regulator",Transporter,"Other nuclear protein","Other cytosolic protein","Nuclear receptor",Kinase,Reader,Eraser,Hydrolase,Oxidoreduct
ase,Transferase,Lyase,"Nuclear hormone receptor subfamily 1","Protein Kinase","Methyl-lysine/arginine binding protein","Lysine demethylase",Bromodomain,"Nuclear hormone receptor subfamily 1 group A","
CAMK protein kinase group","TK protein kinase group","Tudor domain","MBT domain","Jumonji domain-containing","CMGC protein kinase group","Atypical protein kinase group","Nuclear hormone receptor subfa
mily 1 group A member 2","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Src family","CAMK protein kinase MLCK family","Tyrosine protein kinase Syk family","CMGC protein kinase DYRK family
","CAMK protein kinase unique family","Atypical protein kinase PIKK family","CMGC protein kinase Dyrk1 subfamily","Atypical protein kinase FRAP subfamily",Protease,"Cysteine protease","AGC protein kin
ase group","CK1 protein kinase group","TKL protein kinase group","STE protein kinase group","Other protein kinase group","Cysteine protease CD clan","AGC protein kinase PKC family","CK1 protein kinase
 CK1 family","TKL protein kinase STKR family","Tyrosine protein kinase Ret family","STE protein kinase STE20 family","TKL protein kinase LRRK family","CMGC protein kinase CLK family","CAMK protein kin
ase CAMK2 family","AGC protein kinase DMPK family","AGC protein kinase SGK family","Tyrosine protein kinase Sev family","Tyrosine protein kinase Fak family","AGC protein kinase PKA family","AGC protei
n kinase GRK family","CMGC protein kinase GSK family","Tyrosine protein kinase Axl family","Other protein kinase CAMKK family","Tyrosine protein kinase JakA family","CAMK protein kinase PIM family","C
MGC protein kinase MAPK family","Tyrosine protein kinase Ack family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase PDGFR family","Other protein kinase IKK family","Tyrosine protein ki
nase Alk family","Tyrosine protein kinase Tec family","CMGC protein kinase CDK family","TKL protein kinase MLK family","AGC protein kinase RSK family","Tyrosine protein kinase VEGFR family","Cysteine 
protease C14 family","CAMK protein kinase MARK subfamily","AGC protein kinase PKC delta subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase MSN subfamily","STE protein kinase MST
 subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase GRK subfamily","STE protein kinase TAO subfamily","CAMK protein kinase QIK subfamily","Other protein kinase Meta subfamily","CMGC pr
otein kinase JNK subfamily","CAMK protein kinase MELK subfamily","TKL protein kinase STKR1","CMGC protein kinase CDK8 subfamily","TKL protein kinase MLK subfamily","AGC protein kinase RSK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Catalytic receptors","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Chromatin modifying enzymes","Eicosanoid turnover","1A. T
hyroid hormone receptors","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","SLC65 NPC-type cholesterol transporters","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK
,GSK3,"CLK families",Lipoxygenases,"Prostaglandin synthases",Atypical,"TK: Tyrosine kinase","Myosin Light Chain Kinase (MLCK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (D
YRK) family","CAMK-unique family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Non-receptor tyrosine kinases (nRTKs)","Dyrk1 subfamily","FRAP subfamily","Src family","Syk family","
Peptidases and proteinases","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CD: Cysteine (C) Peptidases","CAMK-lik
e (CAMKL) family","Protein kinase C (PKC) family","Casein kinase 1 (CK1) family","STE20 family","TKL: Tyrosine kinase-like","CLK family","CAMK2 family","DMPK family","SGK family","Protein kinase A (PK
A) family","G protein-coupled receptor kinases (GRKs)","Glycogen synthase kinase (GSK) family","Other protein kinases","PIM family","CAMK1 family","Mitogen-activated protein kinases (MAP kinases)","Cy
clin-dependent kinase (CDK) family","RSK family","C14: Caspase","MARK subfamily","Delta subfamily","Receptor tyrosine kinases (RTKs)","MSN subfamily","Leucine-rich repeat kinase (LRRK) family","MST su
bfamily","Rho kinase","GRK4 subfamily","TAO subfamily","GSK subfamily","QIK subfamily","CAMKK family","JNK subfamily","MELK subfamily","IKK family","Receptor serine/threonine kinase (RSTK) family","CD
K8 subfamily","Mixed Lineage Kinase (MLK) family","RSK subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIV RTKs: RET","Type XVII RTKs: ROS receptors","Fak family","Ty
pe XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Meta subfamily","Janus kinase (JakA) family","Ack family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type III RTKs: PDG
FR",CSFR,Kit,"FLT3 receptor family","Type I receptor serine/threonine kinases","Tec family","MLK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Metabolism of proteins","Developmental Biology",Disease,"Signal Transduction","Metabolism of RNA","Gene expression (Transcription)","Transport of small molecules","Cell Cycle","DNA Repair","Neuronal
 System",Metabolism,"Protein localization","Post-translational protein modification","Nervous system development","Infectious disease","Signaling by Rho GTPases","Metabolism of non-coding RNA","RNA Po
lymerase II Transcription","Plasma lipoprotein assembly",remodeling,"and clearance",Mitotic,"DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Metabolism of lipids","Base Excisi
on Repair","Biological oxidations","Mitochondrial protein import","The citric acid (TCA) cycle and respiratory electron transport",SUMOylation,"EGR2 and SOX10-mediated initiation of Schwann cell myeli
nation","HIV Infection","RHO GTPase Effectors","snRNP Assembly","Generic Transcription Pathway","Plasma lipoprotein clearance","Leishmania infection","M Phase","Nonhomologous End-Joining (NHEJ)","Neur
otransmitter receptors and postsynaptic signal transmission","Homology Directed Repair","Mitotic G1 phase and G1/S transition","Biosynthesis of specialized proresolving mediators (SPMs)","Resolution o
f Abasic Sites (AP sites)","Phase I - Functionalization of compounds","Pyruvate metabolism and Citric Acid (TCA) cycle","SUMO E3 ligases SUMOylate target proteins","Host Interactions of HIV factors","
RHO GTPases activate PAKs","Transcriptional Regulation by TP53","LDL clearance","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynapti
c events","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G0 and Early G1","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","Resolution of AP sites 
via the multiple-nucleotide patch replacement pathway","Ethanol oxidation","G1/S Transition","Pyruvate metabolism","SUMOylation of intracellular receptors","The role of Nef in HIV-1 replication and di
sease pathogenesis","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Post NMDA receptor activation events","HDR through Homologous
 Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","PCNA-Dependent Long Patch Base Excision Repair","Activation of the pre-replicative complex","Nef-mediates down
 modulation of cell surface receptors by recruiting them to clathrin adapters","Regulation of TP53 Activity through Methylation","FCGR3A-mediated IL10 synthesis","Nuclear Envelope (NE) Reassembly","Ac
tivation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Biosynthesis of DPAn-3-derived maresins","Biosynthesis of DPAn-3-derived 13-series resolvins","Regulation of TP53 E
xpression and Degradation","Nef Mediated CD4 Down-regulation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 De
gradation","Organelle biogenesis and maintenance","Cellular responses to external stimuli","Immune System","Cilium Assembly","Signaling by GPCR","Diseases of signal transduction by growth factor recep
tors and second messengers","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases","Signaling by Hippo","Ion channel transport","Cytokine Signaling in Immune system","Innate Immun
e System","Signaling by Receptor Tyrosine Kinases","Anchoring of the basal body to the plasma membrane","GPCR downstream signalling","Signaling by WNT in cancer","Axon guidance","Cellular Senescence",
"Signaling by PTK6","Stimuli-sensing channels","SARS-CoV Infections","Signaling by Interleukins","FLT3 signaling in disease","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Signaling by FGFR i
n disease","Signaling by PDGFR in disease","Oncogenic MAPK signaling","Signaling by NOTCH1 in Cancer","Signaling by VEGF","G alpha (i) signalling events","Signaling by AMER1 mutants","RET signaling","
Oxidative Stress Induced Senescence","PTK6 promotes HIF1A stabilization","Semaphorin interactions","Parasite infection","G alpha (q) signalling events","SARS-CoV-1 Infection","Interleukin-2 family sig
naling","Signaling by FLT3 ITD and TKD mutants","G2/M Transition","Toll Like Receptor 5 (TLR5) Cascade","G1 Phase","Signaling by FGFR1 in disease","Drug resistance of PDGFR mutants","Toll Like Recepto
r 4 (TLR4) Cascade","Signaling by RAS mutants","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","VEGF ligand-receptor interactions","Visual phototransduction","Truncations of AMER1 destabilize t
he destruction complex","Sema4D in semaphorin signaling","Leishmania phagocytosis","SARS-CoV-1 Genome Replication and Transcription","Interleukin-15 signaling","STAT5 activation downstream of FLT3 ITD
 mutants","Centrosome maturation","MyD88 cascade initiated on plasma membrane","Cyclin D associated events in G1","FGFR1 mutant receptor activation","Imatinib-resistant PDGFR mutants","MyD88-independe
nt TLR4 cascade","Signaling downstream of RAS mutants","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","VEGF binds to VEGFR leading to receptor dimerization","TP53 Regulates Transcription of
 Cell Death Genes","The phototransduction cascade","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Sema4D induced cell migration and growth-cone collapse","FCGR3A-m
ediated phagocytosis","ADORA2B mediated anti-inflammatory cytokines production","Separation of Sister Chromatids","Replication of the SARS-CoV-1 genome","Nef and signal transduction","Loss of proteins
 required for interphase microtubule organization from the centrosome","MAP kinase activation","Signaling by activated point mutants of FGFR1","TRIF(TICAM1)-mediated TLR4 signaling","TP53 Regulates Tr
anscription of Caspase Activators and Caspases",Inactivation,"recovery and regulation of the phototransduction cascade","Ras activation upon Ca2+ influx through NMDA receptor","Loss of Nlp from mitoti
c centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Activation of the AP-1 family of transcription factors","CREB phosphorylat
ion"}

> <broad_targets>
{ATP5A1,ATP5B,ATP5C1,IRF3}

> <broad_moa>
{"SYK inhibitor"}

> <synonyms>
{piceatannol,10083-24-6,10083246,3-Hydroxyresveratol,3Hydroxyresveratol,"3,5,3',4'-Tetrahydroxystilbene","3,5,3',4'Tetrahydroxystilbene","(E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol","(E)4(3,5dihydrox
ystyryl)benzene1,2diol","3,3',4'5-Tetrahydroxystilbene","3,3',4'5Tetrahydroxystilbene","4-((E)-2-(3,5-dihydroxyphenyl)ethenyl)benzene-1,2-diol","4((E)2(3,5dihydroxyphenyl)ethenyl)benzene1,2diol","3,3'
,4,5'-Tetrahydroxystilbene","3,3',4,5'Tetrahydroxystilbene",EI-271,S3026,Piceatannol}

> <pdid>
PD002653

> <targets>
{Syk,Others}

> <classes>
{}

> <pubchem_cids>
{667639}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  2  1  0
 13  5  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11701

> <plate>
PLATE 010

> <well>
C11

> <supplier_cmpd_name>
Theobromine

> <ctcr_id>
6012

> <supplier_cmpd_id>
T0625

> <smiles>
Cn1cnc2N(C)C(=O)NC(=O)c12

> <pd_targets>
{PMP22,CYP3A4,CHRM1,ADORA1,ADORA2A,PDE4B}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Membrane receptor","Cytochrome P450","Family A G protein-coupled receptor",Phosphodiesterase,"Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Phosp
hodiesterase 4","Cytochrome P450 family 3A","Monoamine receptor","Nucleotide-like receptor (family A GPCR)","Phosphodiesterase 4B","Cytochrome P450 3A4","Acetylcholine receptor","Adenosine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Cyclic nucleotide turnover/signalling","CYP3 family","Acetylcholine receptors (muscarinic)","Adenosine receptors",Phosphodiesterases
,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{"Developmental Biology",Metabolism,"Signal Transduction",Disease,"Nervous system development","Metabolism of lipids","Signaling by GPCR","Infectious disease","EGR2 and SOX10-mediated initiation of Sc
hwann cell myelination","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","Leishmania infection","GPCR downstream signalling","Biosynthesis of DHA-derived SPMs","Class 
A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","G alpha (i) signalling events","Biosynthesis of maresins","Amine ligand-binding receptors","Nucleotide-like (purinergic) rece
ptors","Anti-inflammatory response favouring Leishmania parasite infection","Opioid Signalling","Biosynthesis of maresin-like SPMs","Muscarinic acetylcholine receptors","Adenosine P1 receptors","ADORA
2B mediated anti-inflammatory cytokines production","DARPP-32 events"}

> <broad_targets>
{ADORA1,ADORA2A,PDE4B}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{theobromine,83-67-0,83670,"3,7-Dimethylxanthine","3,7Dimethylxanthine",Diurobromine,Teobromin,Theosalvose,Theostene,Santheose,Thesodate,Thesal,"3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione","3,7Dimet
hyl3,7dihydro1Hpurine2,6dione","3,7-dimethylpurine-2,6-dione","3,7dimethylpurine2,6dione",Theobromin,"Xanthine, 3,7-dimethyl-","Xanthine, 3,7dimethyl",3,7-Dihydro-,7Dihydro,T0625,1500649,Prestw-874,Th
eobromine,THEOBROMINE}

> <pdid>
PD001655

> <targets>
{Adenosine Receptor,Endogenous Metabolite}

> <classes>
{cardiotonic,diuretic,bronchodilator,GPCR/G Protein,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5429}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9027    5.2517    0.0000 C   0  0
   -5.2032    5.9990    0.0000 C   0  0
   -6.5007    5.2464    0.0000 C   0  0
   -6.4977    3.7464    0.0000 C   0  0
   -5.1971    2.9990    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11702

> <plate>
PLATE 010

> <well>
D2

> <supplier_cmpd_name>
Sulfapyridine

> <ctcr_id>
1631

> <supplier_cmpd_id>
T0767

> <smiles>
Nc1ccc(cc1)[S](=O)(=O)Nc2ccccn2

> <pd_targets>
{CA3,FFP,CA1,CA2,SMN1,AMPC,CA6,NS1,FOLP,SULI}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Lyase,Transferase,Reader,Hydrolase,Protease,"Methyl-lysine/arginine binding protein","Cysteine protease","Tudor domain","Cysteine protease CA clan
","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases"}

> <pathway_reactome>
{Metabolism,"Immune System","Transport of small molecules","Metabolism of RNA","Reversible hydration of carbon dioxide","Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","Metabol
ism of non-coding RNA","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","snRNP Assembly","Interleukin-12 family signaling","Interleukin-12 signaling","Gene and prot
ein expression by JAK-STAT signaling after Interleukin-12 stimulation"}

> <broad_targets>
{}

> <broad_moa>
{"PABA antagonist"}

> <synonyms>
{sulfapyridine,144-83-2,144832,Sulphapyridine,2-Sulfapyridine,2Sulfapyridine,Sulfidin,2-Sulfanilamidopyridine,2Sulfanilamidopyridine,Sulfidine,2-Sulfanilylaminopyridine,2Sulfanilylaminopyridine,Strept
osilpyridine,Coccoclase,Eubasinum,Piridazol,Pyridazol,Eubasin,Haptocil,Plurazol,Relbapiridina,Pyriamid,Septipulm,T0767,1500551,Prestw-762,Sulfapyridine,SULFAPYRIDINE}

> <pdid>
PD001745

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5336}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
   -3.8976   -0.7554    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11703

> <plate>
PLATE 010

> <well>
D3

> <supplier_cmpd_name>
Mesalamine

> <ctcr_id>
16153

> <supplier_cmpd_id>
T0646

> <smiles>
Nc1ccc(O)c(c1)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Mesalamine,5-ASA,Mesalazine,HY-15027,"5-Aminosalicylic Acid","5-Aminosalicylic Acid"}

> <pdid>
PD000235

> <targets>
{Endogenous Metabolite,NF-ºB,PAK,PPAR}

> <classes>
{Cell Cycle/DNA Damage,Cytoskeleton,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
.

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 23  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 N   0  0
    5.1894   -6.0109    0.0000 N   0  0
    5.1873   -7.5117    0.0000 N   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.7798  -10.5202    0.0000 C   0  0
    7.7746  -12.0202    0.0000 C   0  0
    6.4729  -12.7657    0.0000 C   0  0
    5.1765  -12.0112    0.0000 C   0  0
    5.1817  -10.5112    0.0000 C   0  0
    6.4678  -14.2657    0.0000 Cl  0  0
   10.2798   -6.3830    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  1  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11704

> <plate>
PLATE 010

> <well>
D4

> <supplier_cmpd_name>
Robenidine hydrochloride

> <ctcr_id>
11042

> <supplier_cmpd_id>
T2549

> <smiles>
c1(ccc(cc1)Cl)/C=N/NC(=N)N/N=C/c1ccc(cc1)Cl.Cl

> <pd_targets>
{RORC,FFP}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Nuclear receptor",Transferase,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member
 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Robenidine HCl","25875-50-7 (HCl)","25875507 (HCl)","1,3-Bis((4-chlorobenzylidene)amino)guanidine monohydrochloride","1,3Bis((4chlorobenzylidene)amino)guanidine monohydrochloride",T2549,"Robenidine 
hydrochloride"}

> <pdid>
PD013564

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{68813768}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  1  0            999 V2000
    6.4990   -5.2473    0.0000 C   0  0
    6.4987   -3.7473    0.0000 O   0  0
    5.1993   -2.9963    0.0000 C   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    6.4947   -0.7442    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
 10  6  1  1
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 14  1  0
 21 22  1  0
 22 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11705

> <plate>
PLATE 010

> <well>
D5

> <supplier_cmpd_name>
Hesperetin

> <ctcr_id>
2860

> <supplier_cmpd_id>
T2565

> <smiles>
COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2

> <pd_targets>
{CYP2C19,HIF1A,CYP2C9,DPP4,KDM1A,CYP3A4,CA4,CA12,ALDH1A1,CYP1A2,MAPK1,HSD17B10,GSK3B,CA7,CYP2D6,REP,CYP1A1,TSHR,ATM,CYP1B1,RAB9A,RORC,AMPC,NPC1,SOAT1,SOAT2,MTTP,MAPT,FTL,SMN1,HPGD}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Membrane receptor",Transporter,"Other cytosolic protein","Unclassified protein","Cytochrome P450",Protease,Eraser,Lyase,Oxidoreductase,Kinase,"Fa
mily A G protein-coupled receptor",Hydrolase,"Nuclear receptor",Transferase,Reader,"Cytochrome P450 family 2","Serine protease","Lysine demethylase","Cytochrome P450 family 3","Cytochrome P450 family 
1","Protein Kinase","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Methyl-lysine/arginine binding protein","Cytochrome P450 family 2C","Serine protease SC clan","Lysine-spe
cific demethylase","Cytochrome P450 family 3A","Cytochrome P450 family 1A","CMGC protein kinase group","Cytochrome P450 family 2D","Glycohormone receptor","Atypical protein kinase group","Cytochrome P
450 family 1B","Nuclear hormone receptor subfamily 1 group F","Tudor domain","Cytochrome P450 2C19","Cytochrome P450 2C9","Serine protease S9B subfamily","Cytochrome P450 3A4","Cytochrome P450 1A1","C
MGC protein kinase MAPK family","CMGC protein kinase GSK family","Cytochrome P450 2D6","Atypical protein kinase PIKK family","Cytochrome P450 1B1","Nuclear hormone receptor subfamily 1 group F member 
3","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,Transporters,"Cytochrome P450","Peptidases and proteinases","Chromatin modifying enzymes","Carbonic anhydrases","Kinases (EC 2.7.x.x)","Anti-infective target
s","G protein-coupled receptors","Nuclear hormone receptors","SLC superfamily of solute carriers","Eicosanoid turnover","CYP2 family: drug metabolising subset","SC: Serine (S) Peptidases","1.14.11.- H
istone demethylases","CYP3 family","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Viral protein targets","Glycoprotein hormone receptors",Atypical,"1F. Retinoic acid-related orphans","
SLC65 NPC-type cholesterol transporters","Prostaglandin synthases","S9: Prolyl oligopeptidase","Mitogen-activated protein kinases (MAP kinases)","Glycogen synthase kinase (GSK) family","Coronavirus (C
oV) proteins","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","GSK subfamily","Other PIKK family kinases"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Metabolism of proteins","Signal Transduction","Transport of small molecules","Immune System",Disease,"Cell Cycle","Gene expression (Transcription)
","Neuronal System","Vesicle-mediated transport","Metabolism of RNA","Biological oxidations","Cellular responses to stress","Peptide hormone metabolism","Intracellular signaling by second messengers",
"Metabolism of lipids","O2/CO2 exchange in erythrocytes","Reversible hydration of carbon dioxide","Innate Immune System","Metabolism of amino acids and derivatives","Infectious disease","Cell Cycle Ch
eckpoints","Signaling by Rho GTPases","RNA Polymerase II Transcription","Plasma lipoprotein assembly",remodeling,"and clearance","Transmission across Chemical Synapses","Membrane Trafficking","Metabol
ism of non-coding RNA","Phase I - Functionalization of compounds","Cellular response to hypoxia","Incretin synthesis",secretion,"and inactivation","PIP3 activates AKT signaling","Biosynthesis of speci
alized proresolving mediators (SPMs)","Erythrocytes take up carbon dioxide and release oxygen","Toll-like Receptor Cascades","Branched-chain amino acid catabolism","SARS-CoV Infections","Leishmania in
fection","G1/S DNA Damage Checkpoints","Rho GTPase cycle","Generic Transcription Pathway","Plasma lipoprotein clearance","Neurotransmitter receptors and postsynaptic signal transmission","trans-Golgi 
Network Vesicle Budding","snRNP Assembly","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha",Synthesis,"and inactivation of Gluca
gon-like Peptide-1 (GLP-1)","PTEN Regulation","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","SARS-CoV-1 Infection","Leishmania parasite growth and surviv
al","p53-Dependent G1/S DNA damage checkpoint","RHOBTB GTPase Cycle","Transcriptional regulation by RUNX3","LDL clearance","Chylomicron assembly","Activation of NMDA receptors and postsynaptic events"
,"Golgi Associated Vesicle Biogenesis",Xenobiotics,"Regulation of PTEN gene transcription","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","SARS-CoV-1 Genome Replication and Tr
anscription","Anti-inflammatory response favouring Leishmania parasite infection","p53-Dependent G1 DNA Damage Response","Endogenous sterols","RHOBTB3 ATPase cycle","RUNX3 Regulates Immune Response an
d Cell Migration","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkyl
ated by CYP1A2","MAP kinase activation","Replication of the SARS-CoV-1 genome","ADORA2B mediated anti-inflammatory cytokines production","Stabilization of p53","Activation of AMPK downstream of NMDARs
","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{DGAT1,MTTP,SOAT1,SOAT2}

> <broad_moa>
{"ACAT inhibitor"}

> <synonyms>
{Hesperitin,520-33-2,520332,"3',5,7-Trihydroxy-4'-methoxyflavanone","3',5,7Trihydroxy4'methoxyflavanone",(-)-hesperetin,()hesperetin,YSO2,"Cyanidanon 4'-methyl ether 1626","Cyanidanon 4'methyl ether 1
626","(S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one","(S)5,7dihydroxy2(3hydroxy4methoxyphenyl)chroman4one","NSC 57654",Prestwick_908,Prestwick908,Prestwick-908,"Prestwick 908",UNII-Q9Q3
D557F1,UNIIQ9Q3D557F1,5,7,3'-Trihydroxy-,3'Trihydroxy,T2565,S2308,310012,Hesperetin,HESPERETIN}

> <pdid>
PD001966

> <targets>
{"Histamine Receptor"}

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{72281}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 24  0  0  0  0            999 V2000
   11.5023   -4.1328    0.0000 H   0  3
    9.0023   -4.1328    0.0000 Cl  0  5
    6.4851   -9.7648    0.0000 C   0  0
    6.4868   -8.2648    0.0000 C   0  0
    5.1884   -7.5121    0.0000 N   0  0
    3.8860   -8.2579    0.0000 C   0  0
    2.5891   -7.5042    0.0000 C   0  0
    5.1901   -6.0113    0.0000 C   0  0
    3.8917   -5.2586    0.0000 C   0  0
    3.8934   -3.7577    0.0000 O   0  0
    2.5949   -3.0050    0.0000 C   0  0
    1.2948   -3.7531    0.0000 O   0  0
    2.5966   -1.5042    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    5.1956   -1.5125    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 13 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11706

> <plate>
PLATE 010

> <well>
D6

> <supplier_cmpd_name>
Drofenine hydrochloride

> <ctcr_id>
1535

> <supplier_cmpd_id>
T0713

> <smiles>
[H+].[Cl-].CCN(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2

> <pd_targets>
{CYP3A4,RORC}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Cytochrome P450","Nuclear receptor","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 
group F","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Nuclear hormone receptors","CYP3 family","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of lipids","RNA Polymerase II Transcription","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","Bios
ynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX3","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate, chloride","2(diethylamino)ethyl 2cyclohexyl2phenylacetate, chloride",SBB057421,AKOS025116946,MCULE-1354012037,MCULE1354012037,AKOS026749932,"Drofe
nine hydrochloride",548-66-3,548663,Cyclovegantine,"Drofenine (hydrochloride)",Trasentine-A,TrasentineA,"Trasentin H",Hexah,T0713,1500999,Prestw-789,"DROFENINE HYDROCHLORIDE"}

> <pdid>
PD013257

> <targets>
{AChE}

> <classes>
{antispasmodic,Neuronal Signaling}

> <pubchem_cids>
{43833357,57515986,92806}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
  -10.3884   -1.5226    0.0000 O   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -7.8059    2.9863    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11707

> <plate>
PLATE 010

> <well>
D7

> <supplier_cmpd_name>
Isoliquiritigenin

> <ctcr_id>
2395

> <supplier_cmpd_id>
T0725

> <smiles>
Oc1ccc(cc1)/C=C/C(=O)c2ccc(O)cc2O

> <pd_targets>
{NFO,RORC,CHRNA7,HSD17B2,XDH,HSD17B1,CYP19A1,NANH,GBA,BLM,HPGD,MAPT,CYP2C19,CYP3A4,KMT2A,MEN1,LMNA,CYP2C9,GMNN,MAOB,PSMB5,BACE1,AKR1B1,APP,PMP22,NPSR1,POL,MAOA,SMARCA2,ESR2,PTGS1,PTGS2,ESR1,ALOX5,NFKB
1,NFKB2,RELA,MTOR,NLRP3}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Ion channel","Other cytosolic protein","Epigenetic regulator","Other nuclear protein","Unclassified protein","Membrane receptor",Hydrolase,"Nuclear receptor","Ligand-ga
ted ion channel",Oxidoreductase,"Cytochrome P450",Reader,Protease,"Family A G protein-coupled receptor",Kinase,"Nuclear hormone receptor subfamily 1","Nicotinic acetylcholine receptor","Cytochrome P45
0 family 19","Cytochrome P450 family 2","Cytochrome P450 family 3",Bromodomain,"Threonine protease","Aspartic protease","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 3","Prote
in Kinase","Nuclear hormone receptor subfamily 1 group F","Nicotinic acetylcholine receptor alpha subunit","Cytochrome P450 family 19A","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Threoni
ne protease PBT clan","Aspartic protease AA clan","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group A","Atypical protein kinase group","Nuclear hormone receptor subf
amily 1 group F member 3","Cytochrome P450 19A1","Cytochrome P450 2C19","Cytochrome P450 3A4","Cytochrome P450 2C9","Threonine protease T1A subfamily","Aspartic protease A1A subfamily","Neuropeptide r
eceptor","Nuclear hormone receptor subfamily 3 group A member 2","Nuclear hormone receptor subfamily 3 group A member 1","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Other protein targets","Nuclear hormone receptors","Ligand-gated ion channels","1.-.-.- Oxidoreductases","Cytochrome P450","3.2.1.- Glycosidases","Eicosanoid turnove
r","Catecholamine turnover","Peptidases and proteinases","G protein-coupled receptors","Bromodomain-containing proteins","Kinases (EC 2.7.x.x)","Catalytic receptors","1F. Retinoic acid-related orphans
","Nicotinic acetylcholine receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Prostaglandin synthases","CYP2 family: drug metabolising subset","CYP3 family","PB: Threonine (T) Peptidases","AA: A
spartic (A) Peptidases","Neuropeptide S receptor","Non-enzymatic BRD containing proteins","Steroid hormone receptors",Lipoxygenases,Atypical,"Pattern recognition receptors","T1: Proteasome","A1: Pepsi
n","3A. Estrogen receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","NOD-like receptor family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System",Metabolism,"Signal Transduction","DNA Repair","Cell Cycle","Metabolism of proteins","Immune System","Developmental Biology",Disease,"RNA Polymerase
 II Transcription","Transmission across Chemical Synapses","Metabolism of lipids","Metabolism of nucleotides","Signaling by GPCR","Biological oxidations","DNA Double-Strand Break Repair",Mitotic,"Amyl
oid fiber formation","Innate Immune System","Nervous system development","Infectious disease","Intracellular signaling by second messengers","Generic Transcription Pathway","Neurotransmitter receptors
 and postsynaptic signal transmission","Metabolism of steroids","Nucleobase catabolism","GPCR downstream signalling","Phase I - Functionalization of compounds","Sphingolipid metabolism","Homology Dire
cted Repair","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Mitotic G1 phase and G1/S transition","Regulation of mitotic cell cycle","Toll-like Receptor Cascades","EGR2 and SOX
10-mediated initiation of Schwann cell myelination","Leishmania infection","PIP3 activates AKT signaling","Transcriptional regulation by RUNX3","Acetylcholine binding and downstream events","Metabolis
m of steroid hormones","Purine catabolism","G alpha (i) signalling events","Cytochrome P450 - arranged by substrate type","Glycosphingolipid metabolism","HDR through Homologous Recombination (HRR) or 
Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","G1/S Transition","Amine Oxidase reactions","A
PC/C-mediated degradation of cell cycle proteins","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Transcriptional regulation by RUNX1","Negative regulation of the PI3K
/AKT network","Biosynthesis of DPA-derived SPMs","Transcriptional Regulation by TP53","Cell recruitment (pro-inflammatory response)","RUNX3 Regulates Immune Response and Cell Migration","Postsynaptic 
nicotinic acetylcholine receptors","Estrogen biosynthesis","Visual phototransduction","Endogenous sterols","HDR through Homologous Recombination (HRR)","Biosynthesis of D-series resolvins","Post NMDA 
receptor activation events",Xenobiotics,"Biosynthesis of maresins","Mitotic Anaphase","Activation of the pre-replicative complex","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and M
AOB","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Pregnenolone biosynthesis","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leish
mania parasite infection","RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not known",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","RUNX1 regulates estrogen receptor media
ted transcription","Biosynthesis of DPAn-3 SPMs","Regulation of TP53 Activity","Purinergic signaling in leishmaniasis infection","Highly calcium permeable postsynaptic nicotinic acetylcholine receptor
s","The canonical retinoid cycle in rods (twilight vision)","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Biosynthesis of maresin-like SPMs
","Nuclear Envelope (NE) Reassembly","APC/C:Cdc20 mediated degradation of mitotic proteins","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","ADORA2B mediated anti-inflammatory 
cytokines production","Biosynthesis of DPAn-3-derived 13-series resolvins","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation
 of Nuclear Envelope (NE) Reformation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","Cdc20:Phospho-APC/C m
ediated degradation of Cyclin A"}

> <broad_targets>
{GABBR1}

> <broad_moa>
{"guanylate cyclase activator"}

> <synonyms>
{Lopac0000681,Lopac0-000681,"Lopac0 000681",isoliquiritigenin,961-29-5,961295,"2',4,4'-Trihydroxychalcone","2',4,4'Trihydroxychalcone","4,2',4'-Trihydroxychalcone","4,2',4'Trihydroxychalcone","(E)-1-(
2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","(E)1(2,4dihydroxyphenyl)3(4hydroxyphenyl)prop2en1one",6'-deoxychalcone,6'deoxychalcone,"2',4',4-Trihydroxychalcone","2',4',4Trihydroxychalcone
",isoliquirtigenin,UNII-B9CTI,UNIIB9CTI,T0725,10739,1504200,Isoliquiritigenin,ISOLIQUIRITIGENIN}

> <pdid>
PD001236

> <targets>
{}

> <classes>
{antineoplastic,"aldose reductase inhibitor",antiinflammatory}

> <pubchem_cids>
{638278}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 44  0  0  1  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -2.5950   -3.0008    0.0000 C   0  0
   -1.2942   -3.7494    0.0000 C   0  0
   -1.2911   -5.2502    0.0000 C   0  0
    0.0098   -5.9988    0.0000 C   0  0
    0.0129   -7.4996    0.0000 C   0  0
    1.3137   -8.2482    0.0000 C   0  0
    1.3168   -9.7490    0.0000 C   0  0
    2.6176  -10.4975    0.0000 C   0  0
    2.6207  -11.9984    0.0000 C   0  0
    3.9215  -12.7469    0.0000 S   0  0
    5.2192  -11.9946    0.0000 O   0  0
    3.9246  -14.2477    0.0000 C   0  0
    5.2254  -14.9963    0.0000 C   0  0
    5.2285  -16.4971    0.0000 C   0  0
    6.5293  -17.2457    0.0000 C   0  0
    6.5270  -15.7457    0.0000 F   0  0
    7.8271  -16.4934    0.0000 F   0  0
    6.5324  -18.7465    0.0000 C   0  0
    7.8325  -19.4946    0.0000 F   0  0
    6.5348  -20.2465    0.0000 F   0  0
    5.2347  -19.4988    0.0000 F   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    3.8900   -1.4008    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  6  5  1  6
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
  7 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  2  0
 36  5  1  0
 36 30  1  0
  6 37  1  0
 37  2  1  0
 37 38  1  1
 38 39  1  0
 39 40  1  0
 40  2  1  0
 40 41  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11708

> <plate>
PLATE 010

> <well>
D8

> <supplier_cmpd_name>
Fulvestrant

> <ctcr_id>
4559

> <supplier_cmpd_id>
T2146

> <smiles>
C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCCCC[S](=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)[C@@H]1CC[C@@H]2O

> <pd_targets>
{GPER1,ESR1,ESR2,NR1H4,EPHX2,BLA,PGR,NR1I2,ESRRA}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,"Family A G protein-coupled receptor","Nuclear receptor",Protease,Hydrolase,"Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfa
mily 3","Nuclear hormone receptor subfamily 1","Serine protease","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subfamily 1 group
 H","Serine protease SC clan","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 3 group B","Steroid-like ligand receptor
","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group A member 2","Nuclear hormone receptor subfamily 1 group H member 4","Serine protease S33 family","
Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone receptor subfamily 3 group B member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Nuclear hormone receptors",Hydrolases,"G protein-coupled estrogen receptor","Steroid hormone receptors","1H. Liver X receptor-like receptors","1I. Vit
amin D receptor-like receptors","3B. Estrogen-related receptors","3A. Estrogen receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Metabolism,"Metabolism of proteins","Signaling by GPCR","RNA Polymerase II Transcription","Intracellular signaling by second messengers","Metab
olism of lipids","Post-translational protein modification","GPCR ligand binding","Generic Transcription Pathway","PIP3 activates AKT signaling","Metabolism of steroids","Biosynthesis of specialized pr
oresolving mediators (SPMs)",SUMOylation,"Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX1","Negative regulation of the PI3K/AKT network","Bile acid and bile salt metabolism"
,"Biosynthesis of DHA-derived SPMs","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX2","Peptide ligand-binding receptors","RUNX1 regulates estrogen receptor mediated tra
nscription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Synthesis of bile acids and bile salts","Biosynthesis of maresins","SUMOylation of intracellular receptors","Regulation of RUNX2 expressio
n and activity","Synthesis of bile acids and bile salts via 27-hydroxycholesterol"}

> <broad_targets>
{ESR1,ESR2,GPER1}

> <broad_moa>
{"estrogen receptor antagonist"}

> <synonyms>
{RESTW142,Fulvestrant,129453-61-8,129453618,Faslodex,"Ici 182780",ICI-182780,ICI182780,"ICI 182,780","ZM 182780",ZM-182780,ZM182780,ZD-9238,ZD9238,"ZD 182780","Fulvestrant (Faslodex)","ZD 9238",CHEMBL
1358,C32H47F5O3S,CHEBI:31638,DSSTox_CID_2369,DSSToxCID2369,DSSTox-CID-2369,"DSSTox CID 2369",DSSTox_RID_76561,DSSToxRID76561,DSSTox-RID-76561,"DSSTox RID 76561",DSSTox_GSID_22369,DSSToxGSID22369,DSSTo
x-GSID-22369,"DSSTox GSID 22369",F,T2146,719276,S1191,nan,Prestw-1424,"NSC 719276",fulvestrant}

> <pdid>
PD002815

> <targets>
{"","Estrogen/progestogen Receptor"}

> <classes>
{"Endocrinology & Hormones","Estrogen Receptor Antagonists"}

> <pubchem_cids>
{104741}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
   -9.1025   -0.7622    0.0000 C   0  0
   -7.8048   -1.5144    0.0000 O   0  0
  -10.4026   -1.5103    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
  6 21  1  0
 21 22  2  0
 22  3  1  0
 22 23  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11709

> <plate>
PLATE 010

> <well>
D9

> <supplier_cmpd_name>
Tranilast

> <ctcr_id>
4380

> <supplier_cmpd_id>
T2690

> <smiles>
COc1ccc(/C=C/C(=O)Nc2ccccc2C(O)=O)cc1OC

> <pd_targets>
{HPGDS,KDM4E,RAB9A,RORC,PKM,NPC1,TP53,PYK,HIF1A,MAPK1,NFKB1,ALOX12,APEX1,THPO,NPSR1,KMT2A,MEN1,CYP3A4,ALDH1A1,NS1,HPGD,CHRM1,PMP22,ABCC4,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor",Transporter,"Other cytosolic protein","Unclassified protein","Membrane receptor",Transferase,Eraser,Hydrolase,"Nuclear receptor",Kinase,"Family A 
G protein-coupled receptor",Reader,"Cytochrome P450",Oxidoreductase,"Primary active transporter","Lysine demethylase","Nuclear hormone receptor subfamily 1","Protein Kinase","Peptide receptor (family 
A GPCR)",Bromodomain,"Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","ATP-binding cassette","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","CMGC protei
n kinase group","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Monoamine receptor","ABCC subfamily","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member 3","CMG
C protein kinase MAPK family","Neuropeptide receptor","Cytochrome P450 3A4","Acetylcholine receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Eicosanoid turnover","Chromatin modifying enzymes","Nuclear hormone receptors","2.7.1.40 Pyruvate kinases","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)",
"G protein-coupled receptors","Cytochrome P450","ATP-binding cassette transporter family","Prostaglandin synthases","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","SLC65 NPC-type
 cholesterol transporters","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"Neuropeptide S receptor","2.1.1.43 Histone methyltransferases (HMTs)","CYP3 family","Acetylcholine receptors (
muscarinic)","ABCC subfamily","ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Gene expression (Transcription)","Transport of small molecules","Cell Cycle","Cellular responses to external stimuli","Immune System","DNA Repair",Hemostasis,Disease
,"Developmental Biology","Metabolism of lipids","Signaling by Rho GTPases","RNA Polymerase II Transcription","Metabolism of carbohydrates","Plasma lipoprotein assembly",remodeling,"and clearance","Cel
l Cycle Checkpoints","Cellular responses to stress","Innate Immune System","Cytokine Signaling in Immune system","Base Excision Repair","Platelet activation","signaling and aggregation","Infectious di
sease","Biological oxidations","Signaling by GPCR","Nervous system development","Fatty acid metabolism","Rho GTPase cycle","Generic Transcription Pathway","Glucose metabolism","Plasma lipoprotein clea
rance","G1/S DNA Damage Checkpoints","Cellular response to hypoxia","Toll-like Receptor Cascades","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","Resolution of
 Abasic Sites (AP sites)","Platelet Aggregation (Plug Formation)","Leishmania infection","Phase I - Functionalization of compounds","GPCR ligand binding","EGR2 and SOX10-mediated initiation of Schwann
 cell myelination","Response to elevated platelet cytosolic Ca2+","Metabolism of steroids","Arachidonic acid metabolism","RHOBTB GTPase Cycle","Transcriptional regulation by RUNX3",Glycolysis,"LDL cle
arance","p53-Dependent G1/S DNA damage checkpoint","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Toll Like Receptor 5 (TLR5) Cascade","Interleukin-1 family signaling","Bi
osynthesis of DPA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Leishmania parasite growth and survival","Transcriptional regulation by RUNX1","Biosynth
esis of DHA-derived SPMs","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Platelet degranulation","Bile acid and bile salt metabolism","Synthesis of Prostaglandins (PG) and Thromboxanes (T
X)","RHOBTB3 ATPase cycle","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane","Interleukin-1 signaling","Biosynthe
sis of DPAn-3 SPMs","PCNA-Dependent Long Patch Base Excision Repair","Anti-inflammatory response favouring Leishmania parasite infection","RUNX1 regulates genes involved in megakaryocyte differentiati
on and platelet function","Biosynthesis of maresins","Biosynthesis of D-series resolvins","Amine ligand-binding receptors","Synthesis of bile acids and bile salts","Stabilization of p53","MAP kinase a
ctivation","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived maresins","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Muscari
nic acetylcholine receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kina
ses","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{HPGDS,HRH1}

> <broad_moa>
{"angiogenesis inhibitor"}

> <synonyms>
{RESTW119,NCGC00018185-05,NCGC0001818505,SMR000058373,"2-((3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl)amino)benzoic Acid","2((3(3,4Dimethoxyphenyl)1oxo2propenyl)amino)benzoic Acid",tranilast,53902-12-8,
53902128,Rizaben,trans-Tranilast,transTranilast,Tranilastum,70806-55-2,70806552,"MK 341","N-(3,4-Dimethoxycinnamoyl)anthranilic acid","N(3,4Dimethoxycinnamoyl)anthranilic acid",UNII-HVF50SMY6E,UNIIHVF
50SMY6E,SB-252218,SB252218,T2270,T2690,SAM001246737,Prestw-1198,Trans-Tranilast,Tranilast,CPD000058373}

> <pdid>
PD000929

> <targets>
{Angiotensin Receptor,Prostaglandin Receptor}

> <classes>
{GPCR/G Protein}

> <pubchem_cids>
{5282230}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -7.9382    2.9695    0.0000 C   0  0
   -9.4054    3.2814    0.0000 C   0  0
  -10.1554    1.9823    0.0000 N   0  0
   -9.1517    0.8676    0.0000 C   0  0
   -9.4550   -0.5995    0.0000 N   0  3
  -10.8786   -1.0720    0.0000 O   0  0
   -8.3343   -1.5966    0.0000 O   0  5
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 12  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
M  CHG  2  17   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11710

> <plate>
PLATE 010

> <well>
D10

> <supplier_cmpd_name>
Benznidazole

> <ctcr_id>
11043

> <supplier_cmpd_id>
T4982

> <smiles>
C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-]

> <pd_targets>
{AMPC,CYP3A4,CYP2D6}

> <pathway_gtopdb>
{Enzyme,Hydrolase,"Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 3A4","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Cy
tochrome P450 - arranged by substrate type","Biosynthesis of maresins",Xenobiotics,"Biosynthesis of maresin-like SPMs","CYP2E1 reactions"}

> <broad_targets>
{}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{AS-68694,AS68694,QC-10765,QC10765,ST069365,CS-0013411,CS0013411,FT-0662547,FT0662547,BENZNIDAZOLE,22994-85-0,22994850,Radanil,Benznidazol,Benzonidazole,Benznidazolum,"Ro 07-1051","Ro 071051","1H-Imid
azole-1-acetamide, 2-nitro-N-(phenylmethyl)-","1HImidazole1acetamide, 2nitroN(phenylmethyl)",N-Benzyl-2-nitroimidazole-1-acetamide,NBenzyl2nitroimidazole1acetamide,N-Benzyl-2-nitro,NBenzyl2nitro,T4982
,Benznidazole}

> <pdid>
PD014256

> <targets>
{antiprotozoal,Antibiotic,Parasite}

> <classes>
{Microbiology&virology,Anti-infection}

> <pubchem_cids>
{31593}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    8.1022    2.6072    0.0000 C   0  0
    7.3541    1.3071    0.0000 O   0  0
    5.8532    1.3040    0.0000 C   0  0
    5.1009    2.6017    0.0000 O   0  0
    5.1047    0.0031    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 S   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  8  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11711

> <plate>
PLATE 010

> <well>
D11

> <supplier_cmpd_name>
Oxfendazole

> <ctcr_id>
11044

> <supplier_cmpd_id>
T0714

> <smiles>
COC(=O)Nc1nc2c([nH]1)cc(cc2)S(=O)c1ccccc1

> <pd_targets>
{ALDH1A1,HPGD,KDM4E,HSD17B10,CYP3A4,ADORA2A}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor",Oxidoreductase,Eraser,"Cytochrome P450","Family A G protein-coupled receptor","Lysine demethylase","Cytochrome P450 family 3","Small molecule recepto
r (family A GPCR)","Jumonji domain-containing","Cytochrome P450 family 3A","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 3A4","Adenosine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Chromatin modifying enzymes","Cytochrome P450","G protein-coupled receptors","Prostaglandin synthases","1.14.11.- Histone demethylases","CYP3 family","Adenosi
ne receptors"}

> <pathway_reactome>
{Metabolism,Disease,"Biological oxidations","Metabolism of lipids","Metabolism of amino acids and derivatives","Infectious disease","Phase I - Functionalization of compounds","Biosynthesis of speciali
zed proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Leishmania infection","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Biosy
nthesis of D-series resolvins","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory c
ytokines production"}

> <broad_targets>
{}

> <broad_moa>
{"anthelmintic agent"}

> <synonyms>
{53716-50-0,53716500,"Fenbendazole sulfoxide",Synanthic,OFDZ,Systamex,Repidose,Systemax,"fenbendazole S-oxide","fenbendazole Soxide",Oxfendazolum,Oxfendazol,"Synanthic (Veterinary)",RS-8858,RS8858,5-P
henylsulfinyl-2-carbomethoxyaminobenzimidazole,5Phenylsulfinyl2carbomethoxyaminobenzimidazole,"RS 8858","methyl (5-(p","methyl (5(p",T0714,Oxfendazole}

> <pdid>
PD000960

> <targets>
{"Glucose uptake inhibitor","Tubulin chain"}

> <classes>
{"Cytoskeletal Signaling",Metabolism}

> <pubchem_cids>
{40854}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    6.4923    3.7567    0.0000 Cl  0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
    0.0000    1.5000    0.0000 S   0  0
    1.3164    2.2191    0.0000 O   0  0
   -1.3163    2.2193    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
  3 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16  2  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11712

> <plate>
PLATE 010

> <well>
E2

> <supplier_cmpd_name>
Chlormezanone

> <ctcr_id>
6659

> <supplier_cmpd_id>
T0715

> <smiles>
CN1C(c2ccc(Cl)cc2)[S](=O)(=O)CCC1=O

> <pd_targets>
{THRB,APEX1,PMP22,LMNA,TSPO}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein","Other nuclear protein","Membrane receptor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group 
A","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Receptors,"Other protein targets","Nuclear hormone receptors","Mitochondrial-associated proteins","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{"Metabolism of proteins","DNA Repair","Developmental Biology","Cell Cycle",Metabolism,"Post-translational protein modification","Base Excision Repair","Nervous system development",Mitotic,"Metabolism
 of lipids",SUMOylation,"Resolution of Abasic Sites (AP sites)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Metabolism of steroids","SUMO E3 ligases SUMOylate target pr
oteins","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Mitotic Metaphase and Anaphase","Metabolism of steroid hormones","SUMOylation of intracellular receptors","PCNA-
Dependent Long Patch Base Excision Repair","Mitotic Anaphase","Pregnenolone biosynthesis","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{GABRA1}

> <broad_moa>
{"GABA receptor modulator"}

> <synonyms>
{chlormezanone,80-77-3,80773,Chlormethazanone,Trancopal,Chlormethazone,Chlormezanon,Clormetazanone,Clormetazon,Phenarol,dl-Chlormezanone,dlChlormezanone,Clorilax,Miorilax,Myolespen,Rilansyl,Rilaquil,R
ilassol,Supotran,Trancote,Alinam,Banabin,Bisina,Tanafol,Rexan,Rilax,T0715,2300062,Prestw-336,Chlormezanone,CHLORMEZANONE}

> <pdid>
PD000086

> <targets>
{GABA Receptor}

> <classes>
{anxiolytic,muscle relaxant,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{2717}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    5.0536    0.2477    0.0000 Cl  0  0
   -0.2237   -5.5078    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -3.8916    3.7585    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -2.5847    6.0040    0.0000 O   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 11 19  1  0
 19 20  2  0
 19 21  1  0
 21  4  1  0
 21  8  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11713

> <plate>
PLATE 010

> <well>
E3

> <supplier_cmpd_name>
Molindone hydrochloride

> <ctcr_id>
6002

> <supplier_cmpd_id>
T0716

> <smiles>
Cl.CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12

> <pd_targets>
{BLM,CYP3A4,LMNA,CHRM1,HTR2A,DRD2,HTR7,HRH1,HTR1A,CYP2C19,CYP1A2,FFP}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor","Cytochrome P450","Family A G protein-coupled receptor",Transferase,"Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Cytochrome
 P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3A","Monoamine receptor","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 3A4","Acetylcholine receptor","Sero
tonin receptor","Dopamine receptor","Histamine receptor","Cytochrome P450 2C19","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP3 family","Acetylcholine receptors (muscarinic)","5-Hydroxytryptamine receptors","Dopamine receptors","Histamine receptors","CYP2
 family: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{"DNA Repair",Metabolism,"Cell Cycle","Signal Transduction",Disease,"DNA Double-Strand Break Repair","Metabolism of lipids",Mitotic,"Signaling by GPCR","Infectious disease","Biological oxidations","Ho
mology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","GPCR ligand binding","Leishmania infection","Phase I - Functionalization of compounds","HDR through Homol
ogous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and s
urvival","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Mitotic Anaphase","Amine ligand-binding receptors","Anti-inflammatory r
esponse favouring Leishmania parasite infection",Xenobiotics,"Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholi
ne receptors","Serotonin receptors","Dopamine receptors","ADORA2B mediated anti-inflammatory cytokines production","Histamine receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-
dealkylated by CYP1A2","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{DRD2,HRH1,HTR2A}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{"Molindone hydrochloride",15622-65-8,15622658,Moban,"Molindone HCl","Molindone (hydrochloride)",Lidone,EN-1733A,EN1733A,MFCD01718304,DSSTox_CID_25417,DSSToxCID25417,DSSTox-CID-25417,"DSSTox CID 25417
",DSSTox_RID_80866,DSSToxRID80866,DSSTox-RID-80866,"DSSTox RID 80866",DSSTox_GSID_45417,DSSToxGSID45417,DSSTox-GSID-45417,"DSSTox GSID 45417",SMR000499578,"EN 1733A","Molindone hydrochloride (USAN:USP
)","EN 1733 A","Moban (",T0716,SAM002548933,Prestw-1035,CPD000499578}

> <pdid>
PD009446

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{9883259,27421,57455770}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 F   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 N   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17  3  1  0
 17 11  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11714

> <plate>
PLATE 010

> <well>
E4

> <supplier_cmpd_name>
Enoxacin Sesquihydrate

> <ctcr_id>
1664

> <supplier_cmpd_id>
T0717

> <smiles>
CCN1C=C(C(O)=O)C(=O)c2cc(F)c(nc12)N3CCNCC3

> <pd_targets>
{GYRA,GYRB,LMNA,ATP6V1B2,PARC,TOPB,TOP2A}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transporter,Isomerase,"Primary active transporter","F-type and V-type ATPases","V-type ATPase"}

> <pathway_chembl>
{Transporters,Enzymes,"F-type and V-type ATPases","DNA topoisomerases","V-type ATPase"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction",Mitotic,"Signaling by Receptor Tyrosine Kinases","M Phase","Signaling by Insulin receptor","Mitotic G1 phase and G1/S transition","Mitotic Metaphase and Anaphase","
Insulin receptor recycling","G0 and Early G1","Mitotic Anaphase","Transcription of E2F targets under negative control by DREAM complex","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelo
pe (NE) Reformation"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{74011-58-8,74011588,Penetrex,Enoxacine,Comprecin,AT-2266,AT2266,Bactidan,Enoxacino,Enoxacinum,Flumark,Enoxor,Almitil,CI-919,CI919,enofloxacin,"CI 919","Enoxacin (Penetrex)","PD 107779",PD-107779,PD10
7779,1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,1ethyl6fluoro4oxo7piperazin1yl1,8-naphthyridine-3-car,8naphthyridine3car,T0717L,T0717,1503215,Prestw-1401,Enoxacin,"Enoxacin Sesquihydrate",ENOXACIN}

> <pdid>
PD001045

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{28230148,3229}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  1  0            999 V2000
    5.1996   -1.4928    0.0000 Br  0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0  1  0  0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 C   0  0  2  0  0  0
    1.6261    6.5033    0.0000 O   0  0
   -0.7537    5.2860    0.0000 C   0  0  1  0  0  0
   -1.6337    6.4985    0.0000 C   0  0
   -1.0238    7.8689    0.0000 O   0  0
   -1.2149    3.8587    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10  4  1  0
 10 11  2  0
 12  6  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  1  6
 17 18  1  0
 16 19  1  0
 19 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11715

> <plate>
PLATE 010

> <well>
E5

> <supplier_cmpd_name>
Brivudine

> <ctcr_id>
11045

> <supplier_cmpd_id>
T0718

> <smiles>
Br/C=C/c1cn(c(=O)[nH]c1=O)[C@H]1C[C@H](O)[C@@H](CO)O1

> <pd_targets>
{TK,PMP22,BLM,NPSR1,TK1,UL23,TK2,DNAPOL}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor",Transferase,"Family A G protein-coupled receptor",Protease,"Peptide receptor (family A GPCR)","Cysteine protease","Short peptide receptor (family A G
PCR)","Cysteine protease CA clan","Neuropeptide receptor","Cysteine protease C1A family"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Neuropeptide S receptor"}

> <pathway_reactome>
{"Developmental Biology","DNA Repair",Disease,"Cell Cycle",Metabolism,"Nervous system development","DNA Double-Strand Break Repair","Infectious disease",Mitotic,"Metabolism of nucleotides","EGR2 and S
OX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Leishmania infection","Mitotic G1 phase and G1/S transition","Nucleotide salvage","HDR through Homologous Recombinatio
n (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","G1/S Transition","Pyrimidine salvage","HDR through Homologous Recombination (HRR)","Anti-inflammatory response favo
uring Leishmania parasite infection","G1/S-Specific Transcription","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Presynaptic phase of homologo
us DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"DNA directed DNA polymerase inhibitor"}

> <synonyms>
{Brivudine,69304-47-8,69304478,BVDU,(E)-5-(2-Bromovinyl)-2'-deoxyuridine,(E)5(2Bromovinyl)2'deoxyuridine,Helpin,Brivudin,Bromovinyldeoxyuridine,Zostex,"Brivudine (INN)",5-BROMOVINYLDEOXYURIDINE,5BROMO
VINYLDEOXYURIDINE,(E)-5-(2-Bromovinyl)-deoxyuridine,(E)5(2Bromovinyl)deoxyuridine,UNII-2M3055079H,UNII2M3055079H,MFCD00058585,Uridine,5-((1E)-2-bromoethen,5((1E)2bromoethen,T0718}

> <pdid>
PD000103

> <targets>
{HSV-1,VZV,Endogenous Metabolite}

> <classes>
{Microbiology&Virology,Metabolic Enzyme/Protease}

> <pubchem_cids>
{446727}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 36  0  0  0  0            999 V2000
   16.5990   -3.3702    0.0000 I   0  5
   14.0990   -3.3702    0.0000 I   0  5
   11.5990   -3.3702    0.0000 I   0  5
    9.0983   -0.7368    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 N   0  3
    6.4964    0.7598    0.0000 C   0  0
    7.3612    1.2619    0.0000 C   0  0
    7.8216    0.0282    0.0000 C   0  0
    7.8190    1.0282    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4990   -0.7410    0.0000 N   0  3
   -7.8003   -1.4887    0.0000 C   0  0
   -9.0983   -0.7369    0.0000 C   0  0
   -6.4964    0.7598    0.0000 C   0  0
   -5.1965    1.5083    0.0000 C   0  0
   -6.5045   -2.2709    0.0000 C   0  0
   -7.8058   -3.0170    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6078   -5.9988    0.0000 N   0  3
    2.6109   -7.4996    0.0000 C   0  0
    3.9110   -8.2477    0.0000 C   0  0
    3.9062   -5.2461    0.0000 C   0  0
    3.9045   -3.7461    0.0000 C   0  0
    1.2856   -6.7685    0.0000 C   0  0
    1.2901   -8.2685    0.0000 C   0  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 22 27  1  0
 27 28  1  0
 18 29  2  0
 29 14  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 33 38  1  0
 38 39  1  0
M  CHG  6   1  -1   2  -1   3  -1   6   1  22   1  33   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11716

> <plate>
PLATE 010

> <well>
E6

> <supplier_cmpd_name>
Gallamine triethiodide

> <ctcr_id>
902

> <supplier_cmpd_id>
T0720

> <smiles>
[I-].[I-].[I-].CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC

> <pd_targets>
{CHRM2,TSHR,HIF1A,ACHE,CHRM1,FFP,LMNA,ALOX15,CHRNA1,CHRNB1,CHRND,CHRNE,CHRNG,CHRNA2}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,"Other nuclear protein","Ion channel","Family A G protein-coupled receptor",Hydrolase,Transferase,Oxidoreductase,"Ligand-gated ion channel","Small mo
lecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Nicotinic acetylcholine receptor","Monoamine receptor","Glycohormone receptor","Nicotinic acetylcholine receptor alpha subunit","Ac
etylcholine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","Acetylcholine turnover","Eicosanoid turnover","Ligand-gated ion channels","Acetylcholine receptors (muscarinic)","Glycoprotein hormone 
receptors",Lipoxygenases,"Nicotinic acetylcholine receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Cellular responses to external stimuli",Metabolism,"Cell Cycle","Neuronal System","Signaling by GPCR","Infectious disease","Cellular responses to stress","Metabolism of
 lipids",Mitotic,"Transmission across Chemical Synapses","GPCR ligand binding","Leishmania infection","Cellular response to hypoxia","Phospholipid metabolism","M Phase","Biosynthesis of specialized pr
oresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Oxygen-dependent prolin
e hydroxylation of Hypoxia-inducible Factor Alpha","Glycerophospholipid biosynthesis","Mitotic Metaphase and Anaphase","Biosynthesis of DPA-derived SPMs","Acetylcholine binding and downstream events",
"Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of PC","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","Postsynaptic nicotinic acetylc
holine receptors","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resol
vins","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CHRM2,CHRNA1}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"GALLAMINE TRIETHIODIDE",65-29-2,65292,Flaxedil,Benzkurin,Pirolakson,Sincurarine,Syncurarine,Gallaflex,Parexyl,Pyrolaxon,Relaxan,Remyolan,Retensin,Tricuran,"Gallamone triethiodide","Gallamine iodide"
,"Benzcurine iodide","Miowas G",Galla,T0720,S2471,1500312,Prestw-157,"Gallamine triethiodide","Gallamine Triethiodide"}

> <pdid>
PD013256

> <targets>
{AChR}

> <classes>
{"muscle relaxant (skeletal)","Neuronal Signaling"}

> <pubchem_cids>
{6172}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.6003    1.4978    0.0000 C   0  0
    3.8990    0.7455    0.0000 C   0  0
    5.1996    1.4928    0.0000 C   0  0
    3.8964   -0.7545    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4974   -3.7478    0.0000 O   0  0
   -7.7954   -2.9959    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8940   -5.2509    0.0000 O   0  0
   -2.5939   -5.9990    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -2.2500    0.0000 H   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  1
  4  5  1  0
  5  6  1  0
  5  7  1  0
  3  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  2  3
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  2  3
 21 12  1  0
 21 22  1  0
 22  9  1  0
 22 23  1  1
 22 24  1  0
 24  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11717

> <plate>
PLATE 010

> <well>
E7

> <supplier_cmpd_name>
Tetrabenazine

> <ctcr_id>
11046

> <supplier_cmpd_id>
T0719

> <smiles>
O=C1[C@H](CC(C)C)CN2CCC3=CC(OC)=C(OC)C=C3[C@@]2([H])C1

> <pd_targets>
{KDM4E,TSHR,HSD17B10,SLC18A2,ALDH1A1,MAPK1,MAPT,HPGD,SLC18A1,POLB,SCN1A,SCN2A,SCN3A,MTOR,DRD2}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor",Enzyme,Transporter,"Other cytosolic protein","Ion channel",Eraser,"Family A G protein-coupled receptor",Oxidoreductase,"Electrochemical transporter",Kinase,
"Voltage-gated ion channel","Lysine demethylase","Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Protein Kinase","Voltage-gated sodium channel","Small molecule receptor (famil
y A GPCR)","Jumonji domain-containing","Glycohormone receptor","SLC18 family of vesicular amine transporters","CMGC protein kinase group","Atypical protein kinase group","Monoamine receptor","CMGC pro
tein kinase MAPK family","Atypical protein kinase PIKK family","Dopamine receptor","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","G protein-coupled receptors","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)","Eicosanoid turnover","1.14.11.- Histone demethy
lases","Glycoprotein hormone receptors","SLC18 family of vesicular amine transporters","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Prostaglandin synthases",Atypical,"Dopamine receptors","Mitogen-
activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Disease,Metabolism,"Neuronal System","Immune System","Transport of small molecules","DNA Repair","Gene expression (Transcription)","Signal Transduction","Infectious disease","Metabolism of amino acid
s and derivatives","Transmission across Chemical Synapses","Biological oxidations","Innate Immune System","Metabolism of lipids","SLC-mediated transmembrane transport","Base Excision Repair","RNA Poly
merase II Transcription","Signaling by GPCR","Leishmania infection","Branched-chain amino acid catabolism","Neurotransmitter release cycle","Phase I - Functionalization of compounds","Toll-like Recept
or Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Transport of bile salts and organic acids","metal ions and a
mine compounds","Resolution of Abasic Sites (AP sites)","Generic Transcription Pathway","GPCR ligand binding","Leishmania parasite growth and survival","Dopamine Neurotransmitter Release Cycle","Ethan
ol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Na+/Cl- dependent neurotransmitter transporters","Resolut
ion of AP sites via the multiple-nucleotide patch replacement pathway","Transcriptional Regulation by TP53","Class A/1 (Rhodopsin-like receptors)","Anti-inflammatory response favouring Leishmania para
site infection","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","PCNA-Dependent Long Patch Base Excision Repair","Regulation of
 TP53 Activity","Amine ligand-binding receptors","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Activation of AMPK downstream of NMDARs","Regulation of TP53 Express
ion and Degradation","Dopamine receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{SLC18A1,SLC18A2}

> <broad_moa>
{"vesicular monoamine transporter inhibitor"}

> <synonyms>
{(+)-Tetrabenazine,(+)Tetrabenazine,1026016-83-0,1026016830,"(3R,11Br)-Tetrabenazine","(3R,11Br)Tetrabenazine",UNII-69ENL3U6BF,UNII69ENL3U6BF,69ENL3U6BF,CHEMBL61636,CHEBI:64029,"(+)-Ro 1-9569","(+)Ro 
19569","Tetrabenazine, (+)-","Tetrabenazine, (+)",(+)-Tbz,(+)Tbz,"(3R,11bR)-Tbz","(3R,11bR)Tbz","Tetrabenazine R,R-form (MI)","Tetrabenazine R,Rform (MI)","Tetrabenazine ((+)-)","Tetrabenazine ((+))",
ZINC751,SCHEMBL340,T3534,T0719,TETRABENAZINE,Tetrabenazine}

> <pdid>
PD000461

> <targets>
{D2,"Synaptic vesicular amine transporter"}

> <classes>
{"GPCR/G Protein",Others,Neuroscience}

> <pubchem_cids>
{667453}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.1996   -1.4928    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2985    3.7517    0.0000 F   0  0
   -1.2993    3.7504    0.0000 F   0  0
   -0.0007    4.5008    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
  7 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11718

> <plate>
PLATE 010

> <well>
E8

> <supplier_cmpd_name>
Triflusal

> <ctcr_id>
2160

> <supplier_cmpd_id>
T0705

> <smiles>
CC(=O)Oc1cc(ccc1C(O)=O)C(F)(F)F

> <pd_targets>
{CYP2C19,ALDH1A1,HSD17B10,KDM4E,HPGD,PTGS1,NFKB1,NOS2,PDE10A}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Cytochrome P450",Oxidoreductase,Eraser,Phosphodiesterase,"Cytochrome P450 family 2","Lysine demethylase","Phosphodiesterase 10","Cytochrome P4
50 family 2C","Jumonji domain-containing","Phosphodiesterase 10A","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Chromatin modifying enzymes","Eicosanoid turnover","L-Arginine turnover","Cyclic nucleotide turnover/signalling","CYP2 family: drug metabolising subset","1.14.11.- Histone 
demethylases","Prostaglandin synthases",Cyclooxygenase,"Nitric oxide synthases",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{Metabolism,"Immune System",Disease,Hemostasis,"Biological oxidations","Metabolism of amino acids and derivatives","Metabolism of lipids","Cytokine Signaling in Immune system","Infectious disease","Pl
atelet homeostasis","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism","Signaling by 
Interleukins","Infection with Mycobacterium tuberculosis","Nitric oxide stimulates guanylate cyclase","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Biosynthesis of DHA-derived SP
Ms","Arachidonic acid metabolism","Interleukin-1 family signaling","Response of Mtb to phagocytosis","cGMP effects",Xenobiotics,"Biosynthesis of D-series resolvins","Synthesis of Prostaglandins (PG) a
nd Thromboxanes (TX)","Interleukin-1 signaling","Suppression of phagosomal maturation","CYP2E1 reactions","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Inhibition of nitric oxide production"}

> <broad_targets>
{NFKB1,NOS2,PDE10A,PTGS1}

> <broad_moa>
{"cyclooxygenase inhibitor","platelet aggregation inhibitor","thromboxane synthase inhibitor"}

> <synonyms>
{RESTW52,Triflusal,322-79-2,322792,"2-Acetoxy-4-trifluoromethylbenzoic acid","2Acetoxy4trifluoromethylbenzoic acid",Disgren,"2-Acetoxy-4-(trifluoromethyl)benzoic Acid","2Acetoxy4(trifluoromethyl)benzo
ic Acid","2-acetyloxy-4-(trifluoromethyl)benzoic acid","2acetyloxy4(trifluoromethyl)benzoic acid","2-(Acetyloxy)-4-(trifluoromethyl)benzoic acid","2(Acetyloxy)4(trifluoromethyl)benzoic acid",UNII-1Z0Y
FI05OO,UNII1Z0YFI05OO,DRISGEN,"Benzoic acid",T0705,Prestw-528}

> <pdid>
PD010761

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{9458}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 30  0  0  1  0            999 V2000
   14.0889   -5.3540    0.0000 O   0  0
   11.5889   -5.3540    0.0000 O   0  0
   10.3917   -7.5076    0.0000 N   0  0
   10.3894   -6.0076    0.0000 C   0  0
    9.0889   -5.2584    0.0000 C   0  0
    7.7894   -6.0092    0.0000 C   0  0
    6.4889   -5.2601    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0  2  0  0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0  1  0  0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1929   -3.0062    0.0000 C   0  0
    6.4919   -3.7562    0.0000 O   0  0
    5.1933   -1.5062    0.0000 O   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    6.4855   -8.2648    0.0000 N   0  0
    7.8369   -7.6438    0.0000 C   0  0
    8.8406   -8.7585    0.0000 C   0  0
    8.0906  -10.0575    0.0000 C   0  0
    6.6233   -9.7456    0.0000 C   0  0  1  0  0  0
    5.5002  -10.7372    0.0000 C   0  0
    5.7982  -12.2073    0.0000 O   0  0
    4.0780  -10.2606    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  7  1  1
  8  9  1  0
 10  9  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 10 19  1  0
 19 20  1  0
 19 21  2  0
  8 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 24  1  0
 28 29  1  1
 29 30  1  0
 29 31  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11719

> <plate>
PLATE 010

> <well>
E9

> <supplier_cmpd_name>
Lisinopril dihydrate

> <ctcr_id>
4441

> <supplier_cmpd_id>
T0706

> <smiles>
O.O.NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N2CCC[C@H]2C(O)=O

> <pd_targets>
{ACE,TSHR,LMNA,REN,MAPT}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Other cytosolic protein",Protease,"Family A G protein-coupled receptor","Metallo protease","Peptide receptor (family A GPCR)","Aspartic protease","
Metallo protease MAE clan","Glycohormone receptor","Aspartic protease AA clan","Metallo protease M2 family","Aspartic protease A1A subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","G protein-coupled receptors","MA: Metallo (M) Peptidases","Glycoprotein hormone receptors","AA: Aspartic (A) Peptidases","M2: Angiotensin-converting  (
ACE and ACE2)","A1: Pepsin"}

> <pathway_reactome>
{"Metabolism of proteins",Disease,"Cell Cycle","Neuronal System","Peptide hormone metabolism","Infectious disease",Mitotic,"Transmission across Chemical Synapses","Metabolism of Angiotensinogen to Ang
iotensins","Leishmania infection","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Activation of 
NMDA receptors and postsynaptic events","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Post NMDA receptor activation events","ADORA2B mediated anti-inflammato
ry cytokines production","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ACE,ACE2}

> <broad_moa>
{"angiotensin converting enzyme inhibitor"}

> <synonyms>
{"Lisinopril dihydrate",83915-83-7,83915837,Renacor,"Lisinopril hydrate","Lisinopril (dihydrate)",UNII-E7199S1YWR,UNIIE7199S1YWR,CHEBI:6503,E7199S1YWR,MK-521,MK521,"83915-83-7 (hydrate)","83915837 (hy
drate)",Qbrelis,NCGC00017141-01,NCGC0001714101,CAS-83915-83-7,CAS83915837,"Zestril (TN)",L-Proline,LProline,N2-((1S)-1-carboxy-3-p,N2((1S)1carboxy3p,T0706,Prestw-301,Lisinopril}

> <pdid>
PD001442

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5362118}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 14  0  0  0  0            999 V2000
    6.3572   -1.8683    0.0000 O   0  0
   -1.3359   -5.2323    0.0000 Cl  0  0
   -0.0372   -4.4818    0.0000 C   0  0
   -0.0368   -2.9810    0.0000 C   0  0
    1.2626   -2.2300    0.0000 N   0  0
    2.5609   -2.9829    0.0000 C   0  0
    2.5589   -4.4838    0.0000 C   0  0
    3.8565   -5.2363    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 P   0  0
    2.5793    0.0316    0.0000 O   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11720

> <plate>
PLATE 010

> <well>
E10

> <supplier_cmpd_name>
Cyclophosphamide monohydrate

> <ctcr_id>
2600

> <supplier_cmpd_id>
T0707

> <smiles>
O.ClCCN(CCCl)[P]1(=O)NCCCO1

> <pd_targets>
{NPSR1,ALOX15,KDM4E}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Epigenetic regulator","Family A G protein-coupled receptor",Oxidoreductase,Eraser,"Peptide receptor (family A GPCR)","Lysine demethylase","Short peptide receptor (family A
 GPCR)","Jumonji domain-containing","Neuropeptide receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Neuropeptide S receptor",Lipoxygenases,"1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Disease,Metabolism,"Infectious disease","Metabolism of lipids","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania parasite growth and survival","Biosynthes
is of DPA-derived SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of DP
An-3-derived protectins and resolvins"}

> <broad_targets>
{CYP2A6,CYP2B6,CYP2C18,CYP2C19,CYP2C8,CYP2C9,CYP2D6,CYP3A4,CYP3A5,CYP3A7}

> <broad_moa>
{"DNA alkylating agent"}

> <synonyms>
{EN300-52512,EN30052512,"EN300 52512",C06933,"Cyclophosphamide monohydrate",6055-19-2,6055192,"6055 19 2","Cyclophosphamide hydrate",Cytoxan,"2-(Bis(2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide
 hydrate","2(Bis(2chloroethyl)amino)1,3,2oxazaphosphinane 2oxide hydrate","2 (Bis(2 chloroethyl)amino) 1,3,2 oxazaphosphinane 2 oxide hydrate","Cyclophosphamide (hydrate)",MFCD00149395,"6055-19-2 (hyd
rate)","6055192 (hydrate)","6055 19 2 (hydrate)",C0768,SAM002548983,1500213,cyclophosphamide,CPD000718805,"CYCLOPHOSPHAMIDE HYDRATE"}

> <pdid>
PD002782

> <targets>
{}

> <classes>
{antineoplastic,"alkylating agent"}

> <pubchem_cids>
{22420}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    6.0333   -7.4056    0.0000 O   0  0
    6.9148   -6.1919    0.0000 C   0  0
    8.4065   -6.3489    0.0000 O   0  0
    6.3037   -4.8211    0.0000 C   0  0
    4.8111   -4.6641    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  8 15  2  0
 15 16  1  0
 16  6  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11721

> <plate>
PLATE 010

> <well>
E11

> <supplier_cmpd_name>
Oxaprozin

> <ctcr_id>
1986

> <supplier_cmpd_id>
T0708

> <smiles>
OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3

> <pd_targets>
{SHMT2,MAPK1,PTGS1,KDM4E,PMP22,EPHX2,HPGD,CYP3A4,C5,TSHR,PTGS2,LMNA,LEF,ABCC4}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein","Secreted protein","Membrane receptor","Other nuclear protein",Transporter,Transferase,Kinase,Oxidoreductase,Eraser,Protease,"Cytochrome P450","Fa
mily A G protein-coupled receptor","Primary active transporter","Protein Kinase","Lysine demethylase","Serine protease","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Metallo protease"
,"ATP-binding cassette","CMGC protein kinase group","Jumonji domain-containing","Serine protease SC clan","Cytochrome P450 family 3A","Glycohormone receptor","Metallo protease MAE clan","ABCC subfamil
y","CMGC protein kinase MAPK family","Serine protease S33 family","Cytochrome P450 3A4","Metallo protease M34 family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Eicosanoid turnover","Chromatin modifying enzymes",Hydrolases,"Cytochrome P450","G protein-coupled receptors","ATP-binding cassette transporter 
family","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Cyclooxygenase,"1.14.11.- Histone demethylases","Prostaglandin synthases","CYP3 family","Glycoprotein hormone receptors","ABCC subfamily","Mitog
en-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Developmental Biology","Signal Transduction",Disease,"Cell Cycle",Hemostasis,"Metabolism of vitamins and cofactors","Innate Immune System","Metabolism of lipids","Nervous 
system development","Signaling by GPCR","Infectious disease",Mitotic,"Platelet activation","signaling and aggregation","Metabolism of water-soluble vitamins and cofactors","Toll-like Receptor Cascades
","Fatty acid metabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","Leishmania infection","M P
hase","Uptake and actions of bacterial toxins","Response to elevated platelet cytosolic Ca2+","Metabolism of folate and pterines","Toll Like Receptor 5 (TLR5) Cascade","Arachidonic acid metabolism","B
iosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Biosynthesis of DPA-derived SPMs","Mitotic Metaphase and Anaphase","Uptake and functi
on of anthrax toxins","Platelet degranulation","MyD88 cascade initiated on plasma membrane","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of maresins","Biosynthesis of D-serie
s resolvins","Peptide ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","MAP kinase activation","Biosynthe
sis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Env
elope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{RESTW106,oxaprozin,21256-18-8,21256188,Daypro,"3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid","3(4,5Diphenyl1,3oxazol2yl)propanoic acid",Alvo,"3-(4,5-Diphenyloxazol-2-yl)propanoic acid","3(4,5Diphen
yloxazol2yl)propanoic acid",Oxaprozine,Oxaprozinum,Deflam,"Oxaprozine (INN-French)","Oxaprozine (INNFrench)","Oxaprozinum (INN-Latin)","Oxaprozinum (INNLatin)",WY-21743,WY21743,"Oxaprozina (INN-Spanis
h)","Oxaprozina (INNSpanish)",T0708,SAM001246770,1505267,Prestw-1060,Oxaprozin,CPD000058286,OXAPROZIN}

> <pdid>
PD000533

> <targets>
{COX,NF-ºB}

> <classes>
{antiinflammatory,Immunology/Inflammation,NF-ºB}

> <pubchem_cids>
{4614}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 47 50  0  0  1  0            999 V2000
   -8.9475   -5.2084    0.0000 C   0  0
   -7.6200   -4.5100    0.0000 C   0  0
   -6.1600   -5.4700    0.0000 C   0  0
   -4.7900   -4.7900    0.0000 C   0  0
   -3.5100   -5.6100    0.0000 C   0  0
   -2.1900   -4.9100    0.0000 C   0  0
   -0.9300   -5.6900    0.0000 C   0  0
    0.3900   -4.9600    0.0000 C   0  0
    0.3900   -3.4500    0.0000 C   0  0
    1.6900   -2.7000    0.0000 C   0  0
    1.6900   -1.2100    0.0000 C   0  0
    3.1600    0.0200    0.0000 C   0  0
    3.1600    1.5200    0.0000 C   0  0
    1.8300    2.2900    0.0000 C   0  0
    0.5100    1.5100    0.0000 O   0  0
   -0.8300    2.2900    0.0000 C   0  0
   -2.1230    3.0503    0.0000 O   0  0
   -2.1600    1.5500    0.0000 C   0  0
   -3.4400    2.2900    0.0000 C   0  0
   -3.4262    3.7899    0.0000 O   0  0
   -4.7400    1.5700    0.0000 C   0  0
   -6.2600    2.2900    0.0000 C   0  0
   -7.5500    3.2000    0.0000 O   0  0
   -7.5500    1.7100    0.0000 C   0  0
   -7.5700    0.3300    0.0000 C   0  0
   -8.9400   -0.6300    0.0000 C   0  0
   -8.9700   -2.0600    0.0000 C   0  0
  -10.3116   -2.7310    0.0000 O   0  0
   -7.5900   -3.0500    0.0000 O   0  0
   -0.8300    3.8500    0.0000 C   0  0
    0.5100    4.6300    0.0000 C   0  0
    0.5149    6.1300    0.0000 O   0  0
    1.8300    3.8500    0.0000 C   0  0
    3.1282    4.6025    0.0000 C   0  0
    4.4284    3.8545    0.0000 O   0  0
    3.1264    6.1025    0.0000 O   0  0
    4.5675   -0.5018    0.0000 O   0  0
    5.7219    0.4573    0.0000 C   0  0  2  0  0  0
    5.4675    1.9357    0.0000 O   0  0
    6.6205    2.8952    0.0000 C   0  0  2  0  0  0
    6.3659    4.3735    0.0000 C   0  0
    8.0279    2.3765    0.0000 C   0  0  1  0  0  0
    9.1809    3.3361    0.0000 O   0  0
    8.2824    0.8983    0.0000 C   0  0  2  0  0  0
    9.6899    0.3796    0.0000 N   0  0
    7.1295   -0.0613    0.0000 C   0  0  2  0  0  0
    7.3841   -1.5395    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 22  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29  2  1  0
 16 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33 14  1  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 12 37  1  0
 38 37  1  6
 38 39  1  0
 39 40  1  0
 40 41  1  6
 40 42  1  0
 42 43  1  1
 42 44  1  0
 44 45  1  6
 44 46  1  0
 46 38  1  0
 46 47  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11722

> <plate>
PLATE 010

> <well>
F2

> <supplier_cmpd_name>
Pimaricin

> <ctcr_id>
6173

> <supplier_cmpd_id>
T0709

> <smiles>
CC1C/C=C/C=C/C=C/C=C/C(CC2OC(O)(CC(O)CC3OC3\C=C\C(=O)O1)CC(O)C2C(O)=O)O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O

> <pd_targets>
{KDM4E,MAPT}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Enzyme,Eraser,Protease,"Lysine demethylase","Cysteine protease","Jumonji domain-containing","Cysteine protease CA clan","Cysteine protease C1A family"
}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{"fungal ergosterol inhibitor"}

> <synonyms>
{NATAMYCIN,pimaricin,7681-93-8,7681938,MLS000069611,SCHEMBL3778170,CHEMBL3207725,HMS2093P07,Pharmakon1600-01505560,Pharmakon160001505560,NSC759167,NSC-759167,SMR000058788,SBI-0206801.P001,SBI0206801.P
001,AB00489999_02,AB0048999902,AB00489999-02,"AB00489999 02",SR-05000001736,SR05000001736,SR-05000001736-1,SR050000017361,1505560}

> <pdid>
PD007461

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{9939594}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  7  7  0  0  1  0            999 V2000
    1.6317   -2.2458    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11723

> <plate>
PLATE 010

> <well>
F3

> <supplier_cmpd_name>
L-Cycloserine

> <ctcr_id>
1288

> <supplier_cmpd_id>
T0710

> <smiles>
N[C@@H]1CONC1=O

> <pd_targets>
{BLM,NFO,SMN1,GRIN2C,CYP3A4,LMNA,HIF1A,GRIN1,GRIN2A,GRIN2B,GRIN2D,GRIN3A,GRIN3B,KMT2A,MEN1,MAPK1,TSHR,HSD17B10,ALR,DDL,DDLA}

> <pathway_gtopdb>
{Enzyme,Hydrolase,"Epigenetic regulator","Ion channel","Other nuclear protein","Transcription factor","Membrane receptor",Reader,"Ligand-gated ion channel","Cytochrome P450",Kinase,"Family A G protein
-coupled receptor",Oxidoreductase,Isomerase,Ligase,"Methyl-lysine/arginine binding protein","Ionotropic glutamate receptor","Cytochrome P450 family 3",Bromodomain,"Protein Kinase","Peptide receptor (f
amily A GPCR)","Tudor domain","NMDA receptor","Cytochrome P450 family 3A","CMGC protein kinase group","Glycohormone receptor","Cytochrome P450 3A4","CMGC protein kinase MAPK family","CMGC protein kina
se ERK1"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Ligand-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Ionotropic glutamate receptors","CYP3 family","CMGC: Containing CD
K",MAPK,GSK3,"CLK families","Glycoprotein hormone receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"DNA Repair","DNA Double-Strand Break Repair","Homology Directed Repair","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Ho
mologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange","Metabolism of RNA","Neuronal System",Metabolism,"Cell Cycle","Cellular responses to externa
l stimuli","Immune System",Disease,"Metabolism of non-coding RNA","Transmission across Chemical Synapses","Metabolism of lipids",Mitotic,"Cellular responses to stress","Innate Immune System","Infectio
us disease","Metabolism of amino acids and derivatives","snRNP Assembly","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","
M Phase","Cellular response to hypoxia","Toll-like Receptor Cascades","Leishmania infection","Branched-chain amino acid catabolism","Activation of NMDA receptors and postsynaptic events","Biosynthesis
 of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and 
survival","Post NMDA receptor activation events","Biosynthesis of maresins","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leishmania parasite in
fection","Long-term potentiation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","MAP kinase 
activation","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation","Ras activation upon Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear e
vents mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{GRIN1}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{CYCLOSERIN,D-cycloserine,Dcycloserine,cycloserine,68-41-7,68417,Seromycin,orientomycin,Oxamycin,Cyclo-D-serine,CycloDserine,Cyclorin,D-4-amino-3-isoxazolidinone,D4amino3isoxazolidinone,Cicloserina,Fa
rmiserina,Miroseryn,Tisomycin,Wasserina,Closina,D-4-amino-3-isoxazolidone,D4amino3isoxazolidone,alpha-Cycloserine,alphaCycloserine,(+)-4-Amino-3-iso,(+)4Amino3iso,T0710,T1589,SAM002264599,SAM001247014
,1500215,Prestw-1089,L-Cycloserine,D-Cycloserine,CPD000058313,CYCLOSERINE,(S)-(-)-Cycloserine}

> <pdid>
PD000159

> <targets>
{}

> <classes>
{"antibacterial (tuberculostatic)"}

> <pubchem_cids>
{6234,51670069}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -3.9051   -5.2503    0.0000 Cl  0  0
   -1.3102   -9.7511    0.0000 N   0  3
   -0.0124  -10.5034    0.0000 O   0  5
   -2.6103  -10.4993    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 15 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2  19   1  20  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11724

> <plate>
PLATE 010

> <well>
F4

> <supplier_cmpd_name>
Niclosamide

> <ctcr_id>
164

> <supplier_cmpd_id>
T0711

> <smiles>
Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O

> <pd_targets>
{PMP22,REP,FTL,LMNA,SMN1,TSHR,CYP2C19,NFO,PKM,NPC1,TP53,SRC,AKT1,CYP1A2,PDPK1,LYN,KCNT1,HIF1A,ALDH1A1,KMT2A,MEN1,THPO,GSK3B,CYP3A4,KDR,G6PD-6PGL,HTT,LEF,BLM,CHRM1,CYP2D6,KIT,TEK,JAK2,AURKA,MAPT,RORC,F
GFR1,RAB9A,GMNN,CYP2C9,EGFR,PYK,AMPC,MTOR,STAT3,NPY4R}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Other nuclear protein","Epigenetic regulator","Membrane receptor",Transporter,"Transcription factor","Other cytosolic protein",Reader,"Family A G protein-coupled recept
or","Cytochrome P450",Hydrolase,Kinase,Oxidoreductase,Protease,"Nuclear receptor",Transferase,"Methyl-lysine/arginine binding protein","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Pr
otein Kinase","Cytochrome P450 family 1",Bromodomain,"Cytochrome P450 family 3","Metallo protease","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cysteine protease",
"Tudor domain","Glycohormone receptor","Cytochrome P450 family 2C","TK protein kinase group","AGC protein kinase group","Cytochrome P450 family 1A","CMGC protein kinase group","Cytochrome P450 family 
3A","Metallo protease MAE clan","Monoamine receptor","Cytochrome P450 family 2D","Other protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","Atypical prote
in kinase group","Short peptide receptor (family A GPCR)","Cytochrome P450 2C19","Tyrosine protein kinase Src family","AGC protein kinase AKT family","Cytochrome P450 1A1","AGC protein kinase PDK1 sub
family","CMGC protein kinase GSK family","Cytochrome P450 3A4","Tyrosine protein kinase VEGFR family","Metallo protease M34 family","Acetylcholine receptor","Cytochrome P450 2D6","Tyrosine protein kin
ase PDGFR family","Tyrosine protein kinase Tie family","Tyrosine protein kinase JakA family","Other protein kinase AUR family","Nuclear hormone receptor subfamily 1 group F member 3","Tyrosine protein
 kinase FGFR family","Cytochrome P450 2C9","Tyrosine protein kinase EGFR family","Cysteine protease C1A family","Atypical protein kinase PIKK family","Neuropeptide Y receptor","Atypical protein kinase
 FRAP subfamily"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,Transporters,"Ion channels","Anti-infective targets","G protein-coupled receptors","Cytochrome P450","2.7.1.40 Pyruvate kinases","SLC superfamily of solute c
arriers","Catalytic receptors","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Nuclear hormone receptors","Transcription factors","Viral protein targets","Glycoprotein hormone receptors","CYP2 fa
mily: drug metabolising subset","SLC65 NPC-type cholesterol transporters","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","CYP1 family","Potassium channels","CMGC: Containing CDK",MAPK,GSK
3,"CLK families","CYP3 family","Acetylcholine receptors (muscarinic)","1F. Retinoic acid-related orphans",Atypical,"STAT transcription factors","Neuropeptide Y receptors","Coronavirus (CoV) proteins",
"TK: Tyrosine kinase","Akt (Protein kinase B","PKB) family","PDK1 family","Calcium- and sodium-activated potassium channels","Glycogen synthase kinase (GSK) family","Other protein kinases","Phosphatid
yl inositol 3' kinase-related kinases (PIKK) family","Non-receptor tyrosine kinases (nRTKs)","GSK subfamily","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","FRAP subfamily","Src famil
y","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Janus kinase 
(JakA) family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Vesicle-mediated transport","Cell Cycle","Metabolism of RNA",Metabolism,"Transport of small molecules","Signal Transduction","Gene expression (Transcription)","Cellul
ar responses to external stimuli",Hemostasis,"DNA Repair","Neuronal System","Nervous system development","Infectious disease","Membrane Trafficking",Mitotic,"Metabolism of non-coding RNA","Biological 
oxidations","Metabolism of carbohydrates","Plasma lipoprotein assembly",remodeling,"and clearance","Cell Cycle Checkpoints","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","
Cellular responses to stress","Platelet activation","signaling and aggregation","Metabolism of lipids","DNA Double-Strand Break Repair","Signaling by GPCR","Diseases of signal transduction by growth f
actor receptors and second messengers","MAPK family signaling cascades","Transmission across Chemical Synapses","Signaling by Rho GTPases","EGR2 and SOX10-mediated initiation of Schwann cell myelinati
on","SARS-CoV Infections","trans-Golgi Network Vesicle Budding","M Phase","snRNP Assembly","Leishmania infection","Phase I - Functionalization of compounds","Glucose metabolism","Plasma lipoprotein cl
earance","G1/S DNA Damage Checkpoints","Signaling by NTRKs","Generic Transcription Pathway","Cellular response to hypoxia","Platelet Aggregation (Plug Formation)","Biosynthesis of specialized proresol
ving mediators (SPMs)","Signaling by VEGF","Uptake and actions of bacterial toxins","Homology Directed Repair","GPCR ligand binding","Signaling by KIT in disease","MAPK1/MAPK3 signaling","Mitotic G1 p
hase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by FGFR in disease","Rho GTPase cycle","GPCR downstream signalling","SARS-CoV-1 Infection","Golgi
 Associated Vesicle Biogenesis","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type",Glycolysis,"LDL clearance","p53-Dependent G1/S
 DNA damage checkpoint","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Ethanol oxidation","Biosynthesis of
 DHA-derived SPMs","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by MECP2","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","C
lass A/1 (Rhodopsin-like receptors)","Drug resistance of KIT mutants","RAF/MAP kinase cascade","G1 Phase","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","
Signaling by FGFR1 in disease","RHOBTB GTPase Cycle","G1/S Transition","G alpha (q) signalling events","SARS-CoV-2 Infection","SARS-CoV-1 Genome Replication and Transcription","Mitotic Anaphase","Anti
-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"p53-Dependent G1 DNA Damage Response","Signalling to ERKs","Regulation of TP53 Activity","Biosynthesis of maresins","VEGFR2
 mediated cell proliferation","Regulation of MECP2 expression and activity","HDR through Homologous Recombination (HRR)","Amine ligand-binding receptors","Dasatinib-resistant KIT mutants","Cyclin D as
sociated events in G1","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","FGFR1 mutant receptor activation","RHOBTB3 ATPase cycle","Activation of the pre-repl
icative complex","Gastrin-CREB signalling pathway via PKC and MAPK","SARS-CoV-2 Genome Replication and Transcription","Peptide ligand-binding receptors","Replication of the SARS-CoV-1 genome","Nuclear
 Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Stabilization of p53","Signalling to RAS","Regulation of TP53 Expression and Degradation","Arom
atic amines can be N-hydroxylated or N-dealkylated by CYP1A2","FCGR3A-mediated IL10 synthesis","Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholin
e receptors","Regulation of TP53 Activity through Phosphorylation","Activation of AMPK downstream of NMDARs","Signaling by activated point mutants of FGFR1","EGFR Transactivation by Gastrin","Replicat
ion of the SARS-CoV-2 genome","Signaling by cytosolic FGFR1 fusion mutants","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","p38MAPK events","Regula
tion of TP53 Degradation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{STAT3}

> <broad_moa>
{"DNA replication inhibitor","STAT inhibitor"}

> <synonyms>
{50-65-7,50657,5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide,5ChloroN(2chloro4nitrophenyl)2hydroxybenzamide,Niclocide,Bayluscid,Phenasal,Tredemine,Fenasal,Yomesan,"2',5-Dichloro-4'-nitrosalic
ylanilide","2',5Dichloro4'nitrosalicylanilide",Dichlosale,Helmiantin,Atenase,Cestocid,Devermin,Devermine,Iomesan,Iomezan,T0711,N3510,1503265,Prestw-40,Niclosamide,NICLOSAMIDE,niclosamide}

> <pdid>
PD001014

> <targets>
{Antibiotic,Parasite,STAT}

> <classes>
{teniacide,anthelmintic,Anti-infection,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{4477}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
   14.3053   -0.7442    0.0000 C   0  0
   13.0040   -1.4903    0.0000 O   0  0
   12.9985   -2.9911    0.0000 C   0  0
   14.2964   -3.7431    0.0000 C   0  0
   14.2940   -5.2431    0.0000 C   0  0
   12.9938   -5.9911    0.0000 C   0  0
   11.6959   -5.2391    0.0000 C   0  0
   11.6982   -3.7390    0.0000 C   0  0
   10.3985   -2.9887    0.0000 N   0  0
   10.3984   -1.4887    0.0000 C   0  0
    9.0994   -0.7387    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    7.8004   -2.9887    0.0000 C   0  0
    9.0995   -3.7387    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 20  1  0
 29 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11725

> <plate>
PLATE 010

> <well>
F5

> <supplier_cmpd_name>
Naftopidil

> <ctcr_id>
398

> <supplier_cmpd_id>
T0696

> <smiles>
COc1ccccc1N2CCN(CC2)CC(O)COc3cccc4ccccc34

> <pd_targets>
{ADRA2A,ADRA2B,ADRA2C,ADRA1A,ADRA1B,ADRA1D,CACNA1H,MAPT,MAPK1,LMNA,ADRB2,NFO,GMNN,PMP22,KMT2A,MEN1,HIF1A,HTT,KDM4E,MTOR,CYP2D6,CYP3A4,CYP2C19,ALOX15,CYP1A2,ALDH1A1,CHRM1,TP53,TSHR}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Other cytosolic protein",Enzyme,"Other nuclear protein","Unclassified protein","Epigenetic regulator","Transcription factor","Family A G protein-coupled receptor","
Voltage-gated ion channel",Kinase,Hydrolase,Reader,Eraser,"Cytochrome P450",Oxidoreductase,"Small molecule receptor (family A GPCR)","Voltage-gated calcium channel","Protein Kinase",Bromodomain,"Lysin
e demethylase","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","Peptide receptor (family A GPCR)","Monoamine receptor","CMGC protein kinase group","Jumonji domain-cont
aining","Atypical protein kinase group","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Glycohormone receptor","Adrenergic receptor","C
MGC protein kinase MAPK family","Atypical protein kinase PIKK family","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 2C19","Cytochrome P450 1A1","Acetylcholine receptor","CMGC protein ki
nase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"G protein-coupled receptors","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Cytochrome P450","Eicosanoid turnover",Adrenoceptors,
"Voltage-gated calcium channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases",Atypical,"CYP2 family: drug metabolising subset","CYP3 family",Lipoxygenases,"CYP1 fam
ily","Acetylcholine receptors (muscarinic)","Glycoprotein hormone receptors","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subf
amily","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Neuronal System","Immune System","Cell Cycle",Disease,"Cellular responses to external stimuli","Gene expression (Transcription)",Metabolism,"Signaling b
y GPCR","Nervous system development","Transmission across Chemical Synapses","Innate Immune System",Mitotic,"Infectious disease","Cellular responses to stress","RNA Polymerase II Transcription","Biolo
gical oxidations","Metabolism of lipids","Cell Cycle Checkpoints","GPCR ligand binding","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor Cascades",
"M Phase","Leishmania infection","Mitotic G1 phase and G1/S transition","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Cellular response to hypoxia","Generic Transcription Pathway",
"Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpoints","Class A/1 (Rhodopsin-like receptors)","NCAM signaling for neurite 
out-growth","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","G1/S Transition","O
xygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by MECP2","Transcriptional Regulation by TP53","Cytochrome P450 - arranged by substrate type","Bios
ynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Amine ligand-binding receptors","NCAM1 interactions","Post NMDA recepto
r activation events","MyD88 cascade initiated on plasma membrane","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","R
egulation of MECP2 expression and activity","Regulation of TP53 Activity",Xenobiotics,"Biosynthesis of maresins","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response",Adrenoceptors,"Act
ivation of AMPK downstream of NMDARs","MAP kinase activation","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradatio
n","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acety
lcholine receptors","Stabilization of p53","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","Autodegradation of
 the E3 ubiquitin ligase COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADRA1A}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{naftopidil,57149-07-2,57149072,KT-611,KT611,Flivas,Avishot,1-(4-(2-methoxyphenyl)piperazin-1-yl)-3-(naphthalen-1-yloxy)propan-2-ol,1(4(2methoxyphenyl)piperazin1yl)3(naphthalen1yloxy)propan2ol,"Naftop
idil (Flivas)",BM-15275,BM15275,CHEMBL142635,4-(2-methoxyphenyl)-alpha-((1-naphthalenyloxy)methyl)-1-piperazineethanol,4(2methoxyphenyl)alpha((1naphthalenyloxy)methyl)1piperazineethanol,NCGC000157,T06
96,S2126,SAM001246658,Naftopidil,Naftopidil,CPD000466346}

> <pdid>
PD000224

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{4418}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  1  0            999 V2000
   -0.0037   -6.0060    0.0000 C   0  0
    1.2951   -5.2556    0.0000 O   0  0
    1.2956   -3.7547    0.0000 C   0  0
   -0.0034   -3.0047    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0  1  0  0  0
    6.4897   -5.2632    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    7.7858   -7.5171    0.0000 O   0  0
    6.4833   -9.7648    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  5 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11726

> <plate>
PLATE 010

> <well>
F6

> <supplier_cmpd_name>
Aspartame

> <ctcr_id>
5738

> <supplier_cmpd_id>
T0697

> <smiles>
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O

> <pd_targets>
{TSHR,TRPV1,TAS1R2}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Family A G protein-coupled receptor","Voltage-gated ion channel","Family C G protein-coupled receptor","Peptide receptor (family A GPCR)","Transient receptor potent
ial channel","Taste receptor (family C GPCR)","Glycohormone receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Glycoprotein hormone receptors","Transient Receptor Potential channels","Orphan and other 7TM receptors","Taste 1 
receptors"}

> <pathway_reactome>
{Disease,"Transport of small molecules","Signal Transduction","Infectious disease","Ion channel transport","Signaling by GPCR","Leishmania infection","Stimuli-sensing channels","GPCR downstream signal
ling","Leishmania parasite growth and survival","TRP channels","G alpha (i) signalling events","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{TAS1R2,TRPV1}

> <broad_moa>
{}

> <synonyms>
{VA10334,MFCD00002724,aspartame,22839-47-0,22839470,Nutrasweet,Asp-phe-ome,Asppheome,"Asp-Phe methyl ester","AspPhe methyl ester",Aspartam,Canderel,"L-Aspartyl-L-phenylalanine methyl ester","LAspartyl
Lphenylalanine methyl ester",Aspartamo,Aspartamum,"Aspartylphenylalanine methyl ester","Sweet dipeptide","Dipeptide sweetener",T0697,1505306,Aspartame,ASPARTAME}

> <pdid>
PD000953

> <targets>
{}

> <classes>
{sweetener}

> <pubchem_cids>
{6992066,134601}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 S   0  0
   -2.6017    2.9971    0.0000 O   0  0
   -1.3015    2.2494    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6076    5.9975    0.0000 C   0  0
   -2.6107    7.4975    0.0000 C   0  0
   -1.3132    8.2502    0.0000 C   0  0
   -1.3163    9.7502    0.0000 N   0  0
   -0.0126    7.5029    0.0000 C   0  0
   -0.0095    6.0029    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  5 17  2  0
 17 18  1  0
 18 19  2  0
 19  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11727

> <plate>
PLATE 010

> <well>
F7

> <supplier_cmpd_name>
Sulfamonomethoxine

> <ctcr_id>
1260

> <supplier_cmpd_id>
T0699

> <smiles>
COc1cc(N[S](=O)(=O)c2ccc(N)cc2)ncn1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{sulfamonomethoxine,1220-83-3,1220833,Sulfamonomethoxin,Daimeton,4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide,4aminoN(6methoxypyrimidin4yl)benzenesulfonamide,Sulfamonmethoxine,Sulfamonometoxi
na,Sulfamonomethoxinum,"Benzenesulfonamide, 4-amino-N-(6-methoxy-4-pyrimidinyl)-","Benzenesulfonamide, 4aminoN(6methoxy4pyrimidinyl)",4-Amino-N-(,4AminoN(,T0699,1501147,Prestw-823,Sulfamonomethoxine,S
ULFAMONOMETHOXINE}

> <pdid>
PD001496

> <targets>
{Antibiotic,Bacterial}

> <classes>
{antibacterial,Anti-infection}

> <pubchem_cids>
{5332}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
   -0.2823   -5.5001    0.0000 C   0  0
   -0.7300   -4.0685    0.0000 C   0  0  2  0  0  0
   -2.1946   -3.7406    0.0000 C   0  0
   -3.2115   -4.8444    0.0000 C   0  0
   -4.6761   -4.5166    0.0000 C   0  0
   -5.1237   -3.0850    0.0000 O   0  0
   -5.6924   -5.6198    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0  1  0  0  0
    3.8971    0.7500    0.0000 O   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0  2  0  0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0  2  0  0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  2  8  1  0
  8  9  1  6
  9 10  1  0
 11 10  1  6
 12 11  1  1
 12 13  1  0
 13 14  1  6
 13 15  1  0
 16 15  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  1  6
 22 24  1  0
 24 12  1  0
 24 25  1  6
 25 26  1  0
 26 27  1  0
 27  8  1  0
 27 11  1  0
 27 28  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11728

> <plate>
PLATE 010

> <well>
F8

> <supplier_cmpd_name>
Ursodeoxycholic acid

> <ctcr_id>
2169

> <supplier_cmpd_id>
T0700

> <smiles>
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

> <pd_targets>
{CISD1,SLC10A2,GPBAR1,SLC10A1,NR1H4,AKR1C2,FPR1,KMT2A,MEN1,ABCB11,RXRA}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,"Membrane receptor","Transcription factor",Protease,"Electrochemical transporter","Family A G protein-coupled receptor","Nuclear receptor",Oxidoreductase,"Me
tallo protease","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Metallo protease MAE clan","SLC10 family of sodium-bile acid co-t
ransporters","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group H","Metallo protease M1 family","Steroid-like ligand receptor","Nuclear hormone receptor subfamily
 1 group H member 4","Epigenetic regulator",Reader,"Primary active transporter","Peptide receptor (family A GPCR)",Bromodomain,"ATP-binding cassette","N-formyl methionyl peptide receptor","ABCB subfam
ily"}

> <pathway_chembl>
{Transporters,Receptors,"SLC superfamily of solute carriers","G protein-coupled receptors","Nuclear hormone receptors","SLC10 family of sodium-bile acid co-transporters","Bile acid receptor","1H. Live
r X receptor-like receptors","ATP-binding cassette transporter family","Formylpeptide receptors","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Metabolism of lipids","Infectious disease","Metabolism of steroids","Leishmania infection","Bile acid and bile salt metabolism","Leishmania parasite growth and survival","Recyclin
g of bile acids and salts","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts","ADORA2B mediated anti-inflammatory cytokines production","Synt
hesis of bile acids and bile salts via 27-hydroxycholesterol","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class 
A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors","Formyl peptide receptors bind formyl peptides and many other ligands","Synthesis of bile acids and bile salts via 7alpha-hydroxychol
esterol"}

> <broad_targets>
{AKR1C2,NR1H4}

> <broad_moa>
{"nuclear factor erythroid derived","like (NRF2) activator"}

> <synonyms>
{ursodiol,"URSODEOXYCHOLIC ACID",128-13-2,128132,Actigall,ursodeoxycholate,UDCA,Ursofalk,Ursolvan,Delursan,UrSO,"Urso Forte","Ursodesoxycholic acid",Destolit,Ursochol,Cholit-ursan,Cholitursan,Litursol
,Solutrat,Ursobilin,Ursodamor,Arsacol,Deursil,Lyeton,Ursacol,Urso,SAM002264653,Prestw-958,CPD000058403,Urosiol}

> <pdid>
PD001561

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{31401}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    3.8625   -0.7274    0.0000 N   0  0
    2.5629    0.0216    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2626   -2.2300    0.0000 C   0  0
   -0.0368   -2.9810    0.0000 C   0  0
   -1.3360   -2.2311    0.0000 O   0  0
   -0.0372   -4.4810    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  3  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11729

> <plate>
PLATE 010

> <well>
F9

> <supplier_cmpd_name>
Gabapentin

> <ctcr_id>
1559

> <supplier_cmpd_id>
T0702

> <smiles>
NCC1(CCCCC1)CC(O)=O

> <pd_targets>
{KCNQ3,CACNA2D1,TSHR,TGR,CYP1A2,LMNA,USP2,KCNQ5,CACNA1A,CACNA1B,CACNA1C,CACNA1D,CACNA1E,CACNA1F,CACNA1G,CACNA1H,CACNA1I,CACNA1S,CACNA2D2,CACNA2D3,CACNA2D4,CACNB1,CACNB2,CACNB3,CACNB4,CACNG1,CACNG2,CAC
NG3,CACNG4,CACNG5,CACNG6,CACNG7,CACNG8,ADORA1}

> <pathway_gtopdb>
{"Ion channel","Auxiliary transport protein","Membrane receptor",Enzyme,"Other nuclear protein","Voltage-gated ion channel","Calcium channel auxiliary subunit alpha2delta family","Family A G protein-c
oupled receptor","Cytochrome P450",Protease,"Potassium channels","Peptide receptor (family A GPCR)","Cytochrome P450 family 1","Cysteine protease","Voltage-gated calcium channel","Small molecule recep
tor (family A GPCR)","Voltage-gated potassium channel","Glycohormone receptor","Cytochrome P450 family 1A","Cysteine protease CA clan","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 1A1",
"Cysteine protease C19 family","Adenosine receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,Enzymes,"Voltage-gated ion channels","G protein-coupled receptors","Cytochrome P450","Peptidases and proteinases","Potassium channels","Glycoprotein hormone receptors","CYP1 
family","CA: Cysteine (C) Peptidases","Adenosine receptors","Voltage-gated potassium channels","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Developmental Biology",Disease,Metabolism,"Cell Cycle","Gene expression (Transcription)","Neuronal System","Signal Transduction","Nervous system development","Infectious disease","Biological oxidati
ons",Mitotic,"RNA Polymerase II Transcription","Potassium Channels","Integration of energy metabolism","Signaling by GPCR","Axon guidance","Leishmania infection","Phase I - Functionalization of compou
nds","M Phase","Generic Transcription Pathway","Voltage gated Potassium channels","Regulation of insulin secretion","GPCR ligand binding","L1CAM interactions","Leishmania parasite growth and survival"
,"Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53",Adrenaline,"noradrenaline inhibits insulin secretion","Class A/1 (Rhodopsin-like r
eceptors)","Interaction between L1 and Ankyrins","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Mitotic Anaphase","Regulation of TP53 Activity","Nucleotide-like (pur
inergic) receptors","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Regulation of TP53 
Expression and Degradation","Adenosine P1 receptors","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{ADORA1,CACNA1A,CACNA1B,CACNA1C,CACNA1D,CACNA1E,CACNA1F,CACNA1G,CACNA1H,CACNA1I,CACNA1S,CACNA2D1,CACNA2D2,CACNA2D3,CACNA2D4,CACNB1,CACNB2,CACNB3,CACNB4,CACNG1,CACNG2,CACNG3,CACNG4,CACNG5,CACNG6,CACNG7
,CACNG8,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{1-(ammoniomethyl)cycloheaxaneacetate,1(ammoniomethyl)cycloheaxaneacetate,beta-gabapentin,betagabapentin,gamma-gabapentin,gammagabapentin,1-(Aminomethyl)cyclohexaneacetate,1(Aminomethyl)cyclohexaneace
tate,2-(1-(ammoniomethyl)cyclohexyl)acetate,2(1(ammoniomethyl)cyclohexyl)acetate,2-(1-(azaniumylmethyl)cyclohexyl)ethanoate,2(1(azaniumylmethyl)cyclohexyl)ethanoate,A832613,gabapentin,60142-96-3,60142
963,Neurontin,1-(Aminomethyl)cy,1(Aminomethyl)cy,T0702,Prestw-861,Gabapentin}

> <pdid>
PD000719

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6919078,3446}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  0  0            999 V2000
   10.1969    3.7495    0.0000 H   0  3
    7.6969    3.7495    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6012    3.0008    0.0000 C   0  0
   -1.3035    3.7531    0.0000 O   0  0
   -3.9020    3.7494    0.0000 O   0  0
   -3.9051    5.2502    0.0000 C   0  0
   -5.2059    5.9987    0.0000 C   0  0
   -5.2090    7.4996    0.0000 N   0  0
   -6.5081    8.2496    0.0000 C   0  0
   -6.5081    9.7496    0.0000 C   0  0
   -5.2091   10.4997    0.0000 C   0  0
   -3.9101    9.7497    0.0000 C   0  0
   -3.9100    8.2497    0.0000 C   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13  4  1  0
 13 14  2  0
  8 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
  5 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11730

> <plate>
PLATE 010

> <well>
F10

> <supplier_cmpd_name>
Flavoxate hydrochloride

> <ctcr_id>
126

> <supplier_cmpd_id>
T0703

> <smiles>
[H+].[Cl-].CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4

> <pd_targets>
{CYP1A2,LMNA,KDM4E,CYP2D6,CYP3A4,KCNH2,PDE8A,PDE8B,PDE7A,PDE7B,PDE4A,PDE4B,PDE4C,PDE4D,CHRM2,CHRM1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Epigenetic regulator","Ion channel","Membrane receptor","Cytochrome P450",Eraser,"Voltage-gated ion channel",Phosphodiesterase,"Family A G protein-coupled receptor","C
ytochrome P450 family 1","Lysine demethylase","Cytochrome P450 family 2","Cytochrome P450 family 3","Potassium channels","Phosphodiesterase 8","Phosphodiesterase 7","Phosphodiesterase 4","Small molecu
le receptor (family A GPCR)","Cytochrome P450 family 1A","Jumonji domain-containing","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Voltage-gated potassium channel","Phosphodiesterase 8A","P
hosphodiesterase 7A","Phosphodiesterase 4A","Monoamine receptor","Cytochrome P450 1A1","Cytochrome P450 2D6","Cytochrome P450 3A4","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Cytochrome P450","Chromatin modifying enzymes","Voltage-gated ion channels","G protein-coupled receptors","CYP1 family","1.14.11.- Histone demethylases","CYP2 family
: drug metabolising subset","CYP3 family","Potassium channels","Acetylcholine receptors (muscarinic)","Voltage-gated potassium channels"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Muscle contraction","Signal Transduction","Biological oxidations",Mitotic,"Metabolism of lipids","Cardiac conduction","Signaling by GPCR","Phase I - Functionalization of comp
ounds","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Phase 3 - rapid repolarisation","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase an
d Anaphase","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Mitotic Anaphase","Biosynthesis of maresins","Amine ligand-binding receptors","Aromatic amines can be
 N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Muscarinic acetylcholine receptors","Initiation of Nuclear Envelo
pe (NE) Reformation"}

> <broad_targets>
{CHRM1,CHRM2}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"Flavoxate hydrochloride",3717-88-2,3717882,"Flavoxate HCL",Urispas,"Flavoxate (hydrochloride)",Bladderon,Peflate,Spasmal,DW-61,DW61,"DW 61 (flavoxate)",NSC-114649,NSC114649,UNII-9C05J6089W,UNII9C05J
6089W,"Rec 7/0040",Rec-7-0040;DW61,Rec70040;DW61,"Flavoxate  hydrochloride",Flavo,T0703,Prestw-242}

> <pdid>
PD009777

> <targets>
{mAChR}

> <classes>
{GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{441345,45489758}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  7  6  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 N   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.4992   -0.7496    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11731

> <plate>
PLATE 010

> <well>
F11

> <supplier_cmpd_name>
Cyanoacetohydrazide

> <ctcr_id>
11047

> <supplier_cmpd_id>
T0704

> <smiles>
NNC(=O)CC#N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{2-Cyanoacetohydrazide,2Cyanoacetohydrazide,Cyanoacetohydrazide,Cyacetacide,140-87-4,140874,"Cyanoacetic acid hydrazide",Cyanoacethydrazide,Cyacetacid,Cyacetazid,Cyacetazide,Mackreazid,Neohydrazid,Arm
azal,Cianazil,Cyanazide,Cyanizide,Cyazide,Dictycide,Dictyzide,Hi,T0704}

> <pdid>
PD001299

> <targets>
{GSK-3,Bacterial}

> <classes>
{PI3K/Akt/mTOR signaling,Stem Cells,Anti-infection}

> <pubchem_cids>
{8820}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  1  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    6.5005   -2.2411    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0  2  0  0  0
    1.2982   -3.7531    0.0000 C   0  0
    1.2961   -5.2539    0.0000 C   0  0
    2.5943   -6.0070    0.0000 C   0  0  2  0  0  0
    2.5944   -7.5070    0.0000 C   0  0
    3.8934   -8.2570    0.0000 C   0  0  1  0  0  0
    3.8934   -9.7570    0.0000 O   0  0
    5.1924   -7.5071    0.0000 C   0  0
    5.1925   -6.0071    0.0000 C   0  0
    6.4915   -5.2571    0.0000 O   0  0
    3.8935   -5.2570    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  1
 20 21  1  0
 22 21  1  1
 22 23  1  0
 23 24  1  0
 24 25  1  6
 24 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 22  1  0
 19 30  1  0
 30  9  1  0
 30 14  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11732

> <plate>
PLATE 010

> <well>
G2

> <supplier_cmpd_name>
Simvastatin

> <ctcr_id>
3301

> <supplier_cmpd_id>
T0687

> <smiles>
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12

> <pd_targets>
{HMGCR,AMPC,BCHE,CYP2C8,HMG1,ABCB11,FTL,ACHE,ABCB1,SLCO1B1,ABCC2,ITGAL,HDAC2,ALDH1A1,USP2,KDM4E,SMN1,RORC,CYP3A4}

> <pathway_gtopdb>
{Enzyme,Transporter,"Unclassified protein",Adhesion,"Epigenetic regulator","Transcription factor",Oxidoreductase,Hydrolase,"Cytochrome P450","Primary active transporter","Electrochemical transporter",
Eraser,Protease,Reader,"Nuclear receptor","Cytochrome P450 family 2","ATP-binding cassette","SLC superfamily of solute carriers","Histone deacetylase","Cysteine protease","Lysine demethylase","Methyl-
lysine/arginine binding protein","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cytochrome P450 family 2C","ABCB subfamily","SLC21/SLCO family of organic anion transporting polypep
tides","ABCC subfamily","HDAC class I","Cysteine protease CA clan","Jumonji domain-containing","Tudor domain","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cytochrome P45
0 2C8","Cysteine protease C19 family","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Lanosterol biosynthesis pathway","Acetylcholine turnover","Cytochrome P450","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Catalytic r
eceptors","Chromatin modifying enzymes","Peptidases and proteinases","Nuclear hormone receptors","CYP2 family: drug metabolising subset","ABCB subfamily","SLCO family of organic anion transporting pol
ypeptides","ABCC subfamily",Integrins,"3.5.1.- Histone deacetylases (HDACs)","CA: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","CYP3 family","C19: Ubiq
uitin-specific protease"}

> <pathway_reactome>
{Metabolism,"Vesicle-mediated transport",Disease,"Gene expression (Transcription)","Metabolism of RNA","Metabolism of lipids","Biological oxidations","Membrane Trafficking","Abacavir transport and met
abolism","Disorders of transmembrane transporters","RNA Polymerase II Transcription","Metabolism of non-coding RNA","Metabolism of steroids","Phospholipid metabolism","Phase I - Functionalization of c
ompounds","trans-Golgi Network Vesicle Budding","Abacavir transmembrane transport","ABC transporter disorders","Generic Transcription Pathway","snRNP Assembly","Biosynthesis of specialized proresolvin
g mediators (SPMs)","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Glycerophospholipid biosynthesis","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Go
lgi Associated Vesicle Biogenesis","Defective ABCC2 causes DJS","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Activ
ation of gene expression by SREBF (SREBP)","Synthesis of PC",Xenobiotics,"Synthesis of bile acids and bile salts","Recycling of bile acids and salts","RUNX3 Regulates Immune Response and Cell Migratio
n","Regulation of TP53 Activity","Biosynthesis of maresins","CYP2E1 reactions","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Activity through Acetylation",
"Regulation of TP53 Expression and Degradation","Biosynthesis of maresin-like SPMs","Regulation of TP53 Degradation"}

> <broad_targets>
{HMGCR,ITGB2}

> <broad_moa>
{"HMGCR inhibitor"}

> <synonyms>
{79902-63-9,79902639,"79902 63 9",Zocor,Synvinolin,Sinvacor,Denan,Lipex,MK-733,MK733,"MK 733",Sivastin,Lodales,Simvastatine,Cholestat,Colemin,Simovil,Medipo,Pantok,Simvastatina,Simvastatinum,Velostati
n,Zocord,Zorced,"Simvastatin lactone","Simvastatin (Zocor)",Lipovas,T0687,1965,SAM002589969,1504236,Prestw-865,Simvastatin,CPD000718785,SIMVASTATIN}

> <pdid>
PD001216

> <targets>
{Apoptosis,Autophagy,Ferroptosis,HMG-CoA Reductase (HMGCR),Mitophagy}

> <classes>
{antihyperlipidemic,HMGCoA reductase inhibitor,Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{54454}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 O   0  0
   -5.1253   -4.3743    0.0000 C   0  0
   -6.5937   -4.6845    0.0000 C   0  0
   -7.0599   -6.1102    0.0000 O   0  0
   -4.1251   -5.4933    0.0000 C   0  0
   -4.5929   -6.9185    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  2  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
  9 17  1  0
 17 18  2  0
 18  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11733

> <plate>
PLATE 010

> <well>
G3

> <supplier_cmpd_name>
Ganciclovir

> <ctcr_id>
11048

> <supplier_cmpd_id>
T0688

> <smiles>
Nc1nc(=O)c2c([nH]1)n(COC(CO)CO)cn2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"DNA polymerase inhibitor"}

> <synonyms>
{ganciclovir,82410-32-0,82410320,Cytovene,Gancyclovir,Vitrasert,Zirgan,RS-21592,RS21592,Ganciclovirum,Cymevene,"2-Amino-9-(((1,3-dihydroxypropan-2-yl)oxy)methyl)-1H-purin-6(9H)-one","2Amino9(((1,3dihy
droxypropan2yl)oxy)methyl)1Hpurin6(9H)one",BW-759U,BW759U,Virgan,"BW 759U",2'-NDG,2'NDG,"9-((1,3-Dihydroxy-2-propoxy)methyl)guanine","9((1,3Dihydroxy2propoxy)methyl)guanine",UN,T0688,Ganciclovir}

> <pdid>

> <targets>
{FHV-1}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{135398740}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  2 10  1  0
 10 11  1  0
 10 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11734

> <plate>
PLATE 010

> <well>
G4

> <supplier_cmpd_name>
D-Phenylalanine

> <ctcr_id>
2067

> <supplier_cmpd_id>
T0689

> <smiles>
N[C@H](Cc1ccccc1)C(O)=O

> <pd_targets>
{HCAR3,SLC7A5,CACNA2D1,ALPI,GPR139,ALPL,XIAP,TH}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Family A G protein-coupled receptor","Electrochemical transporter","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Carboxylic acid rec
eptor","SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)","Hydroxycarboxylic acid receptor","SLC07 Cationic amino acid transporter/glycoprotein-associated family","Auxiliary tran
sport protein",Enzyme,"Other cytosolic protein","Calcium channel auxiliary subunit alpha2delta family",Phosphatase,Oxidoreductase}

> <pathway_chembl>
{Receptors,Transporters,"G protein-coupled receptors","SLC superfamily of solute carriers","Hydroxycarboxylic acid receptors","SLC3 and SLC7 families of heteromeric amino acid transporters (HATs)","SL
C7 family","Other protein targets",Enzymes,"Inhibitors of apoptosis (IAP) protein family","Amino acid hydroxylases","Orphan and other 7TM receptors","Class A Orphans"}

> <pathway_reactome>
{"Signal Transduction","Transport of small molecules","Signaling by GPCR","SLC-mediated transmembrane transport","GPCR ligand binding","Transport of inorganic cations/anions and amino acids/oligopepti
des","Class A/1 (Rhodopsin-like receptors)","Amino acid transport across the plasma membrane","Hydroxycarboxylic acid-binding receptors",Metabolism,"Metabolism of proteins","Programmed Cell Death","Me
tabolism of lipids","Post-translational protein modification",Apoptosis,"Metabolism of amino acids and derivatives","Phospholipid metabolism","Post-translational modification: synthesis of GPI-anchore
d proteins","Intrinsic Pathway for Apoptosis","Metabolism of amine-derived hormones","Glycerophospholipid biosynthesis","Apoptotic factor-mediated response","Catecholamine biosynthesis","Synthesis of 
PA","Cytochrome c-mediated apoptotic response","Formation of apoptosome","Regulation of the apoptosome activity"}

> <broad_targets>
{CCBL1,CRH,HCAR3}

> <broad_moa>
{"enkephalinase inhibitor"}

> <synonyms>
{PHENYLALANIN,(2R)-2-ammonio-3-phenylpropanoate,(2R)2ammonio3phenylpropanoate,(2R)-2-azaniumyl-3-phenylpropanoate,(2R)2azaniumyl3phenylpropanoate,"D-phenylalanine zwitterion","Dphenylalanine zwitterio
n",CHEBI:57981,(2R)-2-azaniumyl-3-phenyl-propanoate,A809030,D-phenylalanine,Dphenylalanine,673-06-3,673063,H-D-Phe-OH,HDPheOH,"(2R)-2-amino-3-phenylpropanoic acid","(2R)2amino3phenylpropanoic acid",Sa
biden,T0689,T4455,T3377,1503391,D-Phenylalanine,"DL-3-Phenyllactic acid",phenylalanine,D-PHENYLALANINE}

> <pdid>
PD007868

> <targets>
{}

> <classes>
{antidepressant}

> <pubchem_cids>
{6919011,71567}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6001   -3.0008    0.0000 C   0  0  2  0  0  0
   -3.9004   -3.7487    0.0000 O   0  0
   -1.3018   -3.7538    0.0000 C   0  0  1  0  0  0
    0.0504   -3.7772    0.0000 C   0  0
    0.7490   -4.8836    0.0000 C   0  0  2  0  0  0
    0.4079   -6.4955    0.0000 C   0  0
   -1.0295   -6.5002    0.0000 C   0  0
   -0.5882   -4.9489    0.0000 N   0  0
    1.1725   -4.4592    0.0000 C   0  0
    2.3256   -4.6763    0.0000 C   0  0  2  0  0  0
    3.8088   -4.8069    0.0000 C   0  0
    4.6688   -3.5780    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  1
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 20 21  1  6
 21 22  2  0
 10 23  1  0
 23  6  1  0
 23 24  2  0
 24  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11735

> <plate>
PLATE 010

> <well>
G5

> <supplier_cmpd_name>
Quinine

> <ctcr_id>
7006

> <supplier_cmpd_id>
T0690

> <smiles>
COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1

> <pd_targets>
{AMPC,CYP2D6,KCNT1,SCN5A,CYP3A4,ABCB1,TSHR,BCHE,SCN1A,SCN2A,SCN3A,CYP2D1,KCND2,CYP2D26,KCNA5,SLC29A4,KCNH2,CYP2C9,CYP2D3,ALDH1A1,KCNH1,CYP2D4,TDP1,KCNA7,ABCC4,ABCB1B,SLC22A1,CACNA1C,SLCO1A1,SLC22A2,SL
C47A1,ABCB1A,CACNA1D,CACNA1F,CACNA1S,KCNK5,KCNT2,KCNK10,KCNH5,KCNU1,KCNK16,KCNA4,KCNK1,KCNK6,ADRA1A,ADRA1B,ADRA1D,SCN10A,SCN11A,SCN4A,SCN7A,SCN8A,SCN9A,HSD17B10,CHRM1,KCNB2,KCNK2,ABCB11,SLCO1A4,GP9,KC
NN4,KDM4E,THRB}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transporter,"Membrane receptor","Unclassified protein",Hydrolase,"Cytochrome P450","Voltage-gated ion channel","Primary active transporter","Family A G protein-coupled receptor",
"Electrochemical transporter",Oxidoreductase,"Cytochrome P450 family 2","Voltage-gated sodium channel","Cytochrome P450 family 3","ATP-binding cassette","Peptide receptor (family A GPCR)","Potassium c
hannels","SLC superfamily of solute carriers","Voltage-gated calcium channel","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2D","Cytochrome P450 family 3A","ABCB subfamily","Glycoh
ormone receptor","Voltage-gated potassium channel","SLC28 and SLC29 families of nucleoside transporters","Cytochrome P450 family 2C","ABCC subfamily","SLC22 family of organic cation and anion transpor
ters","SLC21/SLCO family of organic anion transporting polypeptides","SLC47 family of multidrug and toxin extrusion transporters","Two-pore domain potassium channel","Monoamine receptor","Cytochrome P
450 2D6","Cytochrome P450 3A4","Cytochrome P450 2D1","Cytochrome P450 2D2","SLC29 Facilitative nucleoside transporter family","Cytochrome P450 2C9","Cytochrome P450 2D3","Cytochrome P450 2D18","Adrene
rgic receptor","Acetylcholine receptor","Epigenetic regulator",Eraser,"Lysine demethylase","Calcium-activated potassium channel","Jumonji domain-containing","Transcription factor","Nuclear receptor","
Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Enzymes,"Ion channels",Transporters,Receptors,"Cytochrome P450","Voltage-gated ion channels","ATP-binding cassette transporter family","G protein-coupled receptors","Acetylcholine turnover","SLC supe
rfamily of solute carriers","CYP2 family: drug metabolising subset","Potassium channels","Voltage-gated sodium channels","CYP3 family","ABCB subfamily","Glycoprotein hormone receptors","SLC28 and SLC2
9 families of nucleoside transporters","ABCC subfamily","SLC22 family of organic cation and anion transporters","Voltage-gated calcium channels","SLC47 family of multidrug and toxin extrusion transpor
ters",Adrenoceptors,"Acetylcholine receptors (muscarinic)","Calcium- and sodium-activated potassium channels","Voltage-gated potassium channels","SLC29 family","Organic cation transporters (OCT)","Two
 P domain potassium channels","Chromatin modifying enzymes","1.14.11.- Histone demethylases","Nuclear hormone receptors","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{Metabolism,"Developmental Biology",Disease,"Muscle contraction","Neuronal System","Transport of small molecules","DNA Repair",Hemostasis,Reproduction,"Signal Transduction","Biological oxidations","Ne
rvous system development","Metabolism of lipids","Abacavir transport and metabolism","Infectious disease","Cardiac conduction","Potassium Channels","SLC-mediated transmembrane transport","DNA Double-S
trand Break Repair","Platelet activation","signaling and aggregation",Fertilization,"Signaling by GPCR","Metabolism of amino acids and derivatives","Phase I - Functionalization of compounds","Axon gui
dance","Biosynthesis of specialized proresolving mediators (SPMs)","Abacavir transmembrane transport","Leishmania infection","Phospholipid metabolism","Phase 1 - inactivation of fast Na+ channels","Vo
ltage gated Potassium channels","Transport of vitamins",nucleosides,"and related molecules","Phase 3 - rapid repolarisation","Nonhomologous End-Joining (NHEJ)","Response to elevated platelet cytosolic
 Ca2+","Transport of bile salts and organic acids","metal ions and amine compounds","Phase 4 - resting membrane potential","Tandem pore domain potassium channels","Sperm Motility And Taxes","GPCR liga
nd binding","Branched-chain amino acid catabolism","Cytochrome P450 - arranged by substrate type","L1CAM interactions","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Gly
cerophospholipid biosynthesis","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane","Ethanol oxidation","Platelet degranulation","Organic cation/anion/zwitterion 
transport","NCAM signaling for neurite out-growth","TWIK related potassium channel (TREK)","TWIK-related alkaline pH activated K+ channel (TALK)","Tandem of pore domain in a weak inwardly rectifying K
+ channels (TWIK)","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Interaction between L1 and Ankyrins","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infecti
on","Synthesis of PC","Organic cation transport","NCAM1 interactions","Amine ligand-binding receptors","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytoki
nes production",Adrenoceptors,"Muscarinic acetylcholine receptors","Diseases of hemostasis","Metabolism of steroids","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Ca2
+ activated K+ channels","Bile acid and bile salt metabolism","Defective factor IX causes hemophilia B","Synthesis of bile acids and bile salts","Defective F9 activation","Synthesis of bile acids and 
bile salts via 7alpha-hydroxycholesterol","Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of intracellular recep
tors"}

> <broad_targets>
{GP9,KCNB2,KCNN4,SLC29A4}

> <broad_moa>
{"hemozoin biocrystallization inhibitor"}

> <synonyms>
{quinidine,56-54-2,56542,(+)-Quinidine,(+)Quinidine,Conchinin,Chinidin,Pitayine,Quinidex,beta-Quinine,betaQuinine,"(8R,9S)-Quinidine","(8R,9S)Quinidine",(9S)-6'-Methoxycinchonan-9-ol,(9S)6'Methoxycinc
honan9ol,Cin-Quin,CinQuin,Conquinine,Kinidin,Conchinine,chinidinum,quinidina,Quiniduran,Chinidine,Cinchonan-9-ol,Cinchonan9ol,6'-methoxy-,6'methoxy,T0690,SAM002264644,Quinine,CPD000857275}

> <pdid>
PD001767

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{441074}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 11  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
 10  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11736

> <plate>
PLATE 010

> <well>
G6

> <supplier_cmpd_name>
Allopurinol

> <ctcr_id>
11049

> <supplier_cmpd_id>
T0692

> <smiles>
O=c1ncnc2[nH][nH]cc12

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{allopurinol,315-30-0,315300,"1H-Pyrazolo(3,4-d)pyrimidin-4-ol","1HPyrazolo(3,4d)pyrimidin4ol",Zyloprim,Lopurin,Zyloric,Atisuril,Bleminol,Caplenal,Uripurinol,Embarin,Foligan,Milurit,Progout,Urosin,Ano
prolin,Cellidrin,Epidropal,Suspendol,Ailural,Allopur,Allural,Alositol,Bloxanth,Cos,T0692,Allopurinol}

> <pdid>

> <targets>
{XO}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{135401907}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.1992   -2.9856    0.0000 C   0  0
   -6.5013   -3.7302    0.0000 F   0  0
   -5.1935   -1.4856    0.0000 F   0  0
   -6.4953   -2.2305    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11737

> <plate>
PLATE 010

> <well>
G7

> <supplier_cmpd_name>
Niflumic acid

> <ctcr_id>
3764

> <supplier_cmpd_id>
T0693

> <smiles>
OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F

> <pd_targets>
{ALDH1A1,KMT2A,MEN1,CYP2C9,KCNT2,TTR,PTGS2,NFKB1,LEF,GMNN,PKM,LMNA,TEAD4,GPR35,HIF1A,CYP3A4,CYP1A2,DHODH,PMP22,RORC,SOX18,UGT1A1,PTGS1,TRPC4,TRPA1,ANO1,CLCNKA,CLCNKB,KCNQ1,CLCN1,PLA2G1B}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Secreted protein","Other cytosolic protein","Unclassified protein","Other nuclear protein","Membrane receptor","Transcription factor","Ion channel",Oxidoreductase,Reade
r,"Cytochrome P450",Protease,"Family A G protein-coupled receptor","Nuclear receptor",Transferase,"Voltage-gated ion channel","Other ion channel",Hydrolase,Bromodomain,"Cytochrome P450 family 2","Meta
llo protease","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 1","Nuclear hormone receptor subfamily 1","Transient receptor potential channel","Chloride ch
annel","Potassium channels","Cytochrome P450 family 2C","Metallo protease MAE clan","Carboxylic acid receptor","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Nuclear hormone receptor subfami
ly 1 group F","Calcium-activated chloride channel","Voltage-gated potassium channel","Cytochrome P450 2C9","Metallo protease M34 family","Kynurenic acid receptor","Cytochrome P450 3A4","Cytochrome P45
0 1A1","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,"Ion channels","Other protein targets",Receptors,"Cytochrome P450","Voltage-gated ion channels",Transthyretin,"Eicosanoid turnover","2.7.1.40 Pyruvate kinases","G protein-coupled receptors","
1.-.-.- Oxidoreductases","Nuclear hormone receptors","UDP glucuronosyltransferases (UGT)","Other ion channels","Glycerophospholipid turnover","CYP2 family: drug metabolising subset","Potassium channel
s",Cyclooxygenase,"Orphan and other 7TM receptors","CYP3 family","CYP1 family","1F. Retinoic acid-related orphans","Transient Receptor Potential channels","Chloride channels","Phospholipase A<sub>2</s
ub>","Calcium- and sodium-activated potassium channels","Class A Orphans","Calcium activated chloride channel","ClC family","Voltage-gated potassium channels"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Immune System",Disease,"Cell Cycle","Gene expression (Transcription)","Cellular responses to external stimuli","Developmental Biology","Transport of small molecules"
,"Muscle contraction","Biological oxidations","Signaling by GPCR","Metabolism of lipids","Cytokine Signaling in Immune system","Infectious disease",Mitotic,"Metabolism of carbohydrates","RNA Polymeras
e II Transcription","Cellular responses to stress","Metabolism of nucleotides","Nervous system development","Diseases of metabolism","Ion channel transport","Cardiac conduction","Phase I - Functionali
zation of compounds","GPCR downstream signalling","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by Interleukins","Uptake and actions of bacterial toxins","Mitotic G1 phase and
 G1/S transition","Glucose metabolism","M Phase","Generic Transcription Pathway","GPCR ligand binding","Cellular response to hypoxia","Nucleobase biosynthesis","EGR2 and SOX10-mediated initiation of S
chwann cell myelination","Metabolic disorders of biological oxidation enzymes","Fatty acid metabolism","Axon guidance","Stimuli-sensing channels","Phase 2 - plateau phase","Phospholipid metabolism","E
thanol oxidation","Cytochrome P450 - arranged by substrate type","G alpha (i) signalling events","Biosynthesis of DPA-derived SPMs","Interleukin-1 family signaling","Uptake and function of anthrax tox
ins","G1/S Transition",Glycolysis,"Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3","Class A/1 (Rhodopsin-like receptors)","Oxygen-dependent proline hydroxylation of Hypoxia-induc
ible Factor Alpha","Biosynthesis of DHA-derived SPMs","Pyrimidine biosynthesis","Defective UGT1A1 causes hyperbilirubinemia","Arachidonic acid metabolism","Netrin-1 signaling","TRP channels","Glycerop
hospholipid biosynthesis",Xenobiotics,"Visual phototransduction","Biosynthesis of DPAn-3 SPMs","Interleukin-1 signaling","Activation of the pre-replicative complex","Mitotic Anaphase","RUNX3 regulates
 YAP1-mediated transcription","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Role of second messengers in net
rin-1 signaling","Acyl chain remodelling of PC","CYP2E1 reactions","The canonical retinoid cycle in rods (twilight vision)","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Nuclear Envelope (NE) Reassemb
ly","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ANO1,CLCN1,CLCNKA,CLCNKB,KCNQ1,PLA2G1B,PLA2G4A,PTGS1,PTGS2,UGT1A9}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{4394-00-7,4394007,Nifluril,Forenol,Landruma,"Nifluminic acid","Acido niflumico","Acide niflumique","Acide niflumique (INN-French)","Acide niflumique (INNFrench)","Acido niflumico (INN-Spanish)","Acid
o niflumico (INNSpanish)","Acidum niflumicum (INN-Latin)","Acidum niflumicum (INNLatin)","UP 83",2-((3-(trifluoromethyl)phen,2((3(trifluoromethyl)phen,T0693,S3018,1502015,Prestw-255,"Niflumic acid","N
IFLUMIC ACID"}

> <pdid>
PD001431

> <targets>
{GABA Receptor,Chloride Channel}

> <classes>
{Neuronal Signaling,analgesic,antiinflammatory,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{4488}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5112   -6.1125    0.0000 N   0  0
   -2.0454   -7.5384    0.0000 N   0  0
   -0.5454   -7.5360    0.0000 N   0  0
   -0.0841   -6.1087    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    9.0967   -3.7463    0.0000 O   0  0
    9.0946   -5.2471    0.0000 C   0  0
   10.3929   -6.0001    0.0000 C   0  0
   10.3908   -7.5010    0.0000 C   0  0
   11.6890   -8.2540    0.0000 C   0  0
   11.6869   -9.7548    0.0000 C   0  0
   12.9833  -10.5094    0.0000 C   0  0
   12.9782  -12.0094    0.0000 C   0  0
   11.6766  -12.7549    0.0000 C   0  0
   10.3801  -12.0005    0.0000 C   0  0
   10.3853  -10.5005    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14  4  1  0
 14  8  2  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 15  2  0
  2 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 23 35  1  0
 35 36  2  0
 36 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11738

> <plate>
PLATE 010

> <well>
G8

> <supplier_cmpd_name>
Pranlukast

> <ctcr_id>
1033

> <supplier_cmpd_id>
T0694

> <smiles>
O=C(Nc1cccc2C(=O)C=C(Oc12)c3[nH]nnn3)c4ccc(OCCCCc5ccccc5)cc4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Pranlukast,103177-37-3,103177373,"103177 37 3",Ono-1078,Ono1078,"Ono 1078","pranlukast hydrate","ONO 1078",N-(4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl)-4-(4-phenylbutoxy)benzamide,N(4oxo2(2Htetrazol5yl
)chromen8yl)4(4phenylbutoxy)benzamide,"N (4 o",Prestw-1317}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4887}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
  -10.3891   -1.5230    0.0000 C   0  0
  -11.6912   -0.7784    0.0000 C   0  0
  -10.3834   -3.0230    0.0000 C   0  0
  -11.6852   -2.2782    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11739

> <plate>
PLATE 010

> <well>
G9

> <supplier_cmpd_name>
Avobenzone

> <ctcr_id>
3453

> <supplier_cmpd_id>
T0695

> <smiles>
COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C

> <pd_targets>
{RECQL,APEX1,MAPK1,HSD17B10,ALDH1A1,ALOX15,TDP1,LMNA}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Kinase,Oxidoreductase,Hydrolase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Eicosanoid turnover","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"DNA Repair","Immune System",Metabolism,"Cell Cycle","Base Excision Repair","Innate Immune System","Metabolism of amino acids and derivatives","Biological oxidations","Metabolism of lipids","DNA Doub
le-Strand Break Repair",Mitotic,"Resolution of Abasic Sites (AP sites)","Toll-like Receptor Cascades","Branched-chain amino acid catabolism","Phase I - Functionalization of compounds","Biosynthesis of
 specialized proresolving mediators (SPMs)","Nonhomologous End-Joining (NHEJ)","M Phase","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Toll Like Receptor 5 (TLR5) Cas
cade","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","Mitotic Metaphase and Anaphase","PCNA-Dependent Long Patch Base Excision Repair","MyD88 cascade initiated on plasma membrane","Biosynthesi
s of DPAn-3 SPMs","Mitotic Anaphase","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Nuclear Envelope (NE) Reassembly","MAPK targets/ Nuclear events mediated by MAP 
kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Avobenzone,70356-09-1,70356091,"Parsol 1789","Butyl methoxydibenzoylmethane","1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione","1(4tertbutylphenyl)3(4methoxyphenyl)propane1,3dione",4-tert
-Butyl-4'-methoxy-dibenzoylmethane,4tertButyl4'methoxydibenzoylmethane,"1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)-1,3-propanedione","1(4tertButylphenyl)3(4methoxyphenyl)1,3propanedione",1,3-Propan,3P
ropan,T0695,1504190,AVOBENZONE}

> <pdid>
PD001238

> <targets>
{}

> <classes>
{sunscreen}

> <pubchem_cids>
{51040}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    9.4554   -0.4782    0.0000 Cl  0  0
    6.9546   -4.2653    0.0000 C   0  0
    5.4929   -3.9285    0.0000 N   0  0
    4.4707   -5.0263    0.0000 C   0  0
    5.0525   -2.4938    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  8  1  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11740

> <plate>
PLATE 010

> <well>
G10

> <supplier_cmpd_name>
Amitriptyline hydrochloride

> <ctcr_id>
11051

> <supplier_cmpd_id>
T0678

> <smiles>
Cl.CN(C)CCC=C1c2ccccc2CCc2ccccc12

> <pd_targets>
{MAPT,ALDH1A1,TP53,LEF,LMNA,PMP22,FFP,KMT2A,MEN1,NFO,TGR,ALD,KDM4E,CYP3A4,HTR2C,LPAR1,NFKB1,CYP2D6,ADRA1B,ADRA1A,CHRM2,HTR6,ADRA2A,HTR7,SLC6A2,SLC6A3,CACNA1C,CACNA1D,CACNA1F,CACNA1S,ADRA2C,HRH1,CHRM1,
SIGMAR1,CHRM3,HTR2A,SLC6A4,KCNH2,HRH2,SCN7A,CYP1A2,RET,DRD2,CHRM4,CHRM5,HTR1B,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN8A,SCN9A,ALB,KCNJ6,HSD17B10,HRH4,HTR1A,GSC2,HTR1D,HTR1F,HTR2B,HTR3A,HTR3B,H
TR4,HTR5A,HTR5B,DRD3,MTOR,DRD5,ADRA1D,ADRA2B,NTRK1,SLC22A1,KCNJ5,OPRD1,OPRK1,NTRK2,KCNQ2,KCNA1,OPRM1,KCNQ3,KCNH6,KCNH7}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Transcription factor","Other nuclear protein","Unclassified protein","Epigenetic regulator","Membrane receptor",Transporter,"Ion channel","Secreted protein",Oxidored
uctase,Protease,Transferase,Reader,Hydrolase,Eraser,"Cytochrome P450","Family A G protein-coupled receptor","Electrochemical transporter","Voltage-gated ion channel",Kinase,"Metallo protease",Bromodom
ain,"Lysine demethylase","Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","SLC superfamily of solute carriers","Voltage-gated calcium channel","Potassium
 channels","Voltage-gated sodium channel","Cytochrome P450 family 1","Protein Kinase","Peptide receptor (family A GPCR)","Metallo protease MAE clan","Jumonji domain-containing","Cytochrome P450 family
 3A","Monoamine receptor","Lipid-like ligand receptor (family A GPCR)","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","Voltage-gated potassium channel","Cytochrome P450 family
 1A","TK protein kinase group","Inwardly rectifying potassium channel","Atypical protein kinase group","SLC22 family of organic cation and anion transporters","Short peptide receptor (family A GPCR)",
"Metallo protease M34 family","Cytochrome P450 3A4","Serotonin receptor","EDG receptor","Cytochrome P450 2D6","Adrenergic receptor","Acetylcholine receptor","Histamine receptor","Cytochrome P450 1A1",
"Tyrosine protein kinase Ret family","Dopamine receptor","Atypical protein kinase PIKK family","Tyrosine protein kinase Trk family","Opioid receptor","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Ion channels","Chromatin modifying enzymes","Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Sigma recepto
rs","Voltage-gated ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","1.14.11.- Histone demethylases","CYP3 family","5-Hydroxytryptamine receptors","Lysophospholipid (LPA) receptors","CYP2 fa
mily: drug metabolising subset",Adrenoceptors,"Acetylcholine receptors (muscarinic)","SLC6 neurotransmitter transporter family","Histamine receptors","Potassium channels","CYP1 family","Receptor kinas
es","Dopamine receptors","Voltage-gated sodium channels",Atypical,"Voltage-gated calcium channels","SLC22 family of organic cation and anion transporters","Opioid receptors","Monoamine transporter sub
family","Voltage-gated potassium channels","TK: Tyrosine kinase","Inwardly rectifying potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Organic cation transporters (
OCT)","Receptor tyrosine kinases (RTKs)","FRAP subfamily","Type XIV RTKs: RET","Type VII RTKs: Neurotrophin receptor/Trk family"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Cell Cycle",Disease,"Developmental Biology","Signal Transduction","Immune System","Muscle contraction","Gene expression (Transcription)","Transport of small molecules","
Transmission across Chemical Synapses","Biological oxidations","Cell Cycle Checkpoints","Infectious disease",Mitotic,"Nervous system development","Metabolism of lipids","Signaling by GPCR","Cytokine S
ignaling in Immune system","Disorders of transmembrane transporters","Cardiac conduction","Metabolism of amino acids and derivatives","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine 
Kinases","SLC-mediated transmembrane transport","Potassium Channels","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","G1/S DNA Damage Check
points","Uptake and actions of bacterial toxins","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand bin
ding","Signaling by Interleukins","Leishmania infection","SLC transporter disorders","SARS-CoV Infections","Neurotransmitter clearance","Phase 3 - rapid repolarisation","Axon guidance","Metabolism of 
steroids","Branched-chain amino acid catabolism","Generic Transcription Pathway","Signaling by NTRKs","Transport of bile salts and organic acids","metal ions and amine compounds","Voltage gated Potass
ium channels","GPCR downstream signalling","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Uptake and function of anthrax toxins"
,"Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Interleukin-1 family signaling","Cytochrome P450 - arranged by substrate type","Leishmania 
parasite growth and survival","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Potential therapeutics for SARS","Serotonin clea
rance from the synaptic cleft","L1CAM interactions","RET signaling","Bile acid and bile salt metabolism","GABA receptor activation","Transcriptional Regulation by TP53","NCAM signaling for neurite out
-growth","Signaling by NTRK1 (TRKA)","Organic cation/anion/zwitterion transport","Transcriptional Regulation by MECP2","G alpha (i) signalling events","Post NMDA receptor activation events","p53-Depen
dent G1 DNA Damage Response","Mitotic Anaphase","Biosynthesis of maresins","Amine ligand-binding receptors","Lysosphingolipid and LPA receptors","Interleukin-1 signaling",Xenobiotics,"Anti-inflammator
y response favouring Leishmania parasite infection","Interaction between L1 and Ankyrins","Recycling of bile acids and salts","GABA B receptor activation","Regulation of TP53 Activity","NCAM1 interact
ions","Signalling to ERKs","Organic cation transport","Peptide ligand-binding receptors","MECP2 regulates neuronal receptors and channels","Activation of TRKA receptors","Opioid Signalling","Activatio
n of AMPK downstream of NMDARs","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Serotonin receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","CYP2E1
 reactions",Adrenoceptors,"Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Histamine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated b
y CYP1A2","Dopamine receptors","Activation of GABAB receptors","Regulation of TP53 Expression and Degradation","Prolonged ERK activation events","NGF-independant TRKA activation","G-protein activation
","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Regulation of TP53 Degradat
ion","ARMS-mediated activation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRB1,ADRB2,ADRB3,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,HRH1,HRH2,HRH4,HTR1A,HTR1B,HTR1D,HTR2A,HTR2C,HTR6,HTR7,KCNA1,KCND2,KCND3,KCNQ2,KCNQ3,NTRK1,NTRK2,OPRD1,OPRK1,OPRM1,SIGMAR1,
SLC6A2,SLC6A4}

> <broad_moa>
{"norepinephrine inhibitor","norepinephrine reuptake inhibitor","serotonin receptor antagonist","serotoninânorepinephrine reuptake inhibitor (SNRI)"}

> <synonyms>
{"Amitriptyline hydrochloride",549-18-8,549188,"Amitriptyline HCl",Annoyltin,Tryptizol,Domical,Lentizol,Saroten,Endep,"Elavil hydrochloride",Amineurin,Amitrip,Anapsique,Laroxyl,Syneudon,Tryptine,Amavi
l,Ami-Anelun,AmiAnelun,Apo-Amitriptyline,ApoAmitriptyline,Da,T0678}

> <pdid>
PD010103

> <targets>
{5-HT,5-HT2,5-HT4,"Norepinephrine receptor",¦Ò1}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{11065}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 40  0  0  1  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.5018    3.7420    0.0000 O   0  0
   -7.7993    2.9876    0.0000 C   0  0
   -9.1017    3.7333    0.0000 C   0  0
  -10.4521    3.1101    0.0000 C   0  0
  -11.4576    4.2232    0.0000 O   0  0
  -10.7097    5.5235    0.0000 C   0  0  1  0  0  0
  -12.1915    5.6529    0.0000 C   0  0
  -13.0723    4.4376    0.0000 N   0  0
  -14.5587    4.4336    0.0000 C   0  0
  -15.0012    3.0003    0.0000 C   0  0
  -13.7748    2.1366    0.0000 N   0  0
  -12.5744    3.0360    0.0000 C   0  0
   -9.2420    5.2139    0.0000 O   0  0
   -9.8181    6.7146    0.0000 C   0  0
   -8.3287    6.5365    0.0000 C   0  0
   -7.4298    7.7374    0.0000 C   0  0
   -8.0203    9.1162    0.0000 C   0  0
   -7.1214   10.3171    0.0000 Cl  0  0
   -9.5097    9.2943    0.0000 C   0  0
  -10.4086    8.0934    0.0000 C   0  0
  -11.8980    8.2715    0.0000 Cl  0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 21  1  0
 19 26  1  0
 26 16  1  0
 19 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 27  1  0
 33 34  1  0
 13 35  1  0
 35 36  2  0
 36 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11741

> <plate>
PLATE 010

> <well>
G11

> <supplier_cmpd_name>
Ketoconazole

> <ctcr_id>
6587

> <supplier_cmpd_id>
T0679

> <smiles>
CC(=O)N1CCN(CC1)c2ccc(OCC3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2

> <pd_targets>
{CYP3A4,CYP19A1,CYP2D6,CYP2C9,HMOX2,CYP2C19,CYP3A5,HMOX1,CYP17A1,CYP8B1,HIF1A,MAPK1,LEF,HSP90AA1,ABCB11,CYP11A1,CYP7A1,CYP51A1,KCNH2,LMNA,MAPT,ALDH1A1,CHRM1,ADRA1B,HTR1B,IDO1,CYP27B1,TSHR,CYP2C8,ABCB1
,CYP11B1,CYP2C11,CYP2A2,CYP11B2,CYP24A1,CYP1A2,GNRHR,CYP21A2,KMT2A,MEN1,BLM,THPO,NPSR1,NFKB1,PMP22,ADRA1A,ALOX15,RORC,GMNN,CYP4F2,KCNA10,ABCC4,ADRA2A,SLC6A4,CACNA1C,ABCB1A,ABCB1B,CYP26A1,CHRM2,TACR2,A
DRA2B,SLC6A2,UGT1A1,HRH2,SLC22A1,SLC6A3,OPRD1,TBXAS1,ERG11,AR,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other cytosolic protein",Transporter,"Ion channel","Other nuclear protein","Membrane receptor","Unclassified protein","Epigenetic regulator","Cytochrome P450",Oxidoredu
ctase,Kinase,Protease,"Primary active transporter","Voltage-gated ion channel","Family A G protein-coupled receptor",Reader,"Nuclear receptor","Electrochemical transporter",Transferase,"Cytochrome P45
0 family 3","Cytochrome P450 family 19","Cytochrome P450 family 2","Cytochrome P450 family 17","Protein Kinase","Metallo protease","ATP-binding cassette","Cytochrome P450 family 11","Cytochrome P450 f
amily 7","Cytochrome P450 family 51","Potassium channels","Small molecule receptor (family A GPCR)","Cytochrome P450 family 27","Peptide receptor (family A GPCR)","Cytochrome P450 family 24","Cytochro
me P450 family 1","Cytochrome P450 family 21","Cysteine protease",Bromodomain,"Nuclear hormone receptor subfamily 1","Cytochrome P450 family 4","SLC superfamily of solute carriers","Voltage-gated calc
ium channel","Cytochrome P450 family 26","Cytochrome P450 family 5","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 3A","Cytochrome P450 family 19A","Cytochrome P450 family 2D","Cytochr
ome P450 family 2C","Cytochrome P450 family 17A","CMGC protein kinase group","Metallo protease MAE clan","ABCB subfamily","Cytochrome P450 family 11A","Cytochrome P450 family 7A","Cytochrome P450 fami
ly 51A","Voltage-gated potassium channel","Monoamine receptor","Cytochrome P450 family 27B","Glycohormone receptor","Cytochrome P450 family 11B","Cytochrome P450 family 2A","Cytochrome P450 family 24A
","Cytochrome P450 family 1A","Short peptide receptor (family A GPCR)","Cytochrome P450 family 21A","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 4
F","ABCC subfamily","SLC06 neurotransmitter transporter family","Cytochrome P450 family 26A","SLC22 family of organic cation and anion transporters","Cytochrome P450 family 5A","Nuclear hormone recept
or subfamily 3 group C","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 3A4","Cytochrome P450 19A1","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochrome P450 2C19","Cytochrome P450 
3A5","Cytochrome P450 17A1","CMGC protein kinase MAPK family","Metallo protease M34 family","Cytochrome P450 11A1","Cytochrome P450 7A1","Cytochrome P450 51A1","Acetylcholine receptor","Adrenergic rec
eptor","Serotonin receptor","Cytochrome P450 27B1","Cytochrome P450 2C8","Cytochrome P450 11B1","Cytochrome P450 2C11","Cytochrome P450 2A2","Cytochrome P450 11B2","Cytochrome P450 24A1","Cytochrome P
450 1A1","GnRH receptor","Cytochrome P450 21A2","Cysteine protease C1A family","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 4F2","Cytochrome P450 26
A1","Neurokinin receptor","Histamine receptor","Opioid receptor","Cytochrome P450 5A1","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 1 group I member 2","
CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Transporters,"Ion channels",Receptors,"Cytochrome P450","Haem oxygenase","Kinases (EC 2.7.x.x)","Heat shock proteins","ATP-binding cassette transporter family","Voltag
e-gated ion channels","G protein-coupled receptors","1.13.11.- Dioxygenases","Eicosanoid turnover","Nuclear hormone receptors","SLC superfamily of solute carriers","UDP glucuronosyltransferases (UGT)"
,"CYP3 family",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","CYP2 family: drug metabolising subset",CYP5,"CYP7 and CYP8 families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","ABCB subfamily",CYP39
,"CYP46 and CYP51 families","Potassium channels","Acetylcholine receptors (muscarinic)",Adrenoceptors,"5-Hydroxytryptamine receptors",CYP24,"CYP26 and CYP27 families","Glycoprotein hormone receptors",
"CYP1 family","Gonadotrophin-releasing hormone receptors","Neuropeptide S receptor",Lipoxygenases,"1F. Retinoic acid-related orphans","CYP4 family","ABCC subfamily","SLC6 neurotransmitter transporter 
family","Voltage-gated calcium channels","Tachykinin receptors","Histamine receptors","SLC22 family of organic cation and anion transporters","Opioid receptors","Steroid hormone receptors","1I. Vitami
n D receptor-like receptors","Mitogen-activated protein kinases (MAP kinases)","Voltage-gated potassium channels","Monoamine transporter subfamily","Organic cation transporters (OCT)","3C. 3-Ketostero
id receptors","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Cellular responses to external stimuli",Disease,"Cell Cycle","Muscle contraction","Neuronal System","Signal Transduction","DNA Repair",Hemostasis,"Developmental Biology","
Gene expression (Transcription)","Transport of small molecules","Metabolism of proteins","Metabolism of lipids","Biological oxidations","Innate Immune System","Cytokine Signaling in Immune system","Ce
llular responses to stress","Infectious disease",Mitotic,"Cardiac conduction","Transmission across Chemical Synapses","Signaling by GPCR","Metabolism of amino acids and derivatives","Abacavir transpor
t and metabolism","DNA Double-Strand Break Repair","Platelet activation","signaling and aggregation","Nervous system development","RNA Polymerase II Transcription","Potassium Channels","Disorders of t
ransmembrane transporters","Diseases of metabolism","SLC-mediated transmembrane transport","Post-translational protein modification","Biosynthesis of specialized proresolving mediators (SPMs)","Phase 
I - Functionalization of compounds","Neutrophil degranulation","Signaling by Interleukins","Metabolism of steroids","Cellular response to hypoxia","Toll-like Receptor Cascades","Uptake and actions of 
bacterial toxins","Mitotic G2-G2/M phases","Phase 3 - rapid repolarisation","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","Tryptophan catabolism","L
eishmania infection","Abacavir transmembrane transport","Homology Directed Repair","Platelet Aggregation (Plug Formation)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Generic Tra
nscription Pathway","Mitotic G1 phase and G1/S transition","Voltage gated Potassium channels","Response to elevated platelet cytosolic Ca2+","Neurotransmitter clearance","Axon guidance","SLC transport
er disorders","Metabolic disorders of biological oxidation enzymes","Transport of bile salts and organic acids","metal ions and amine compounds",SUMOylation,"Biosynthesis of DHA-derived SPMs","Cytochr
ome P450 - arranged by substrate type","Interleukin-4 and Interleukin-13 signaling","Metabolism of steroid hormones","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Toll Li
ke Receptor 5 (TLR5) Cascade","Uptake and function of anthrax toxins","G2/M Transition","Bile acid and bile salt metabolism","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsyna
ptic events","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interle
ukin-1 family signaling","Biosynthesis of DPA-derived SPMs","Transcriptional regulation by RUNX3","G1/S Transition","Platelet degranulation","Serotonin clearance from the synaptic cleft","NCAM signali
ng for neurite out-growth","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective UGT1A1 causes hyperbilirubinemia","Organic cation/anion/zwitterion transport","Defective SLC6A3 causes Park
insonism-dystonia infantile (PKDYS)","Transcriptional regulation by RUNX2","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of maresins","Endogenous sterols",Xenobiotics,"Androgen biosynthesi
s","MyD88 cascade initiated on plasma membrane","Centrosome maturation","Synthesis of bile acids and bile salts","Mitotic Anaphase","Post NMDA receptor activation events","Amine ligand-binding recepto
rs",Vitamins,"Anti-inflammatory response favouring Leishmania parasite infection","Hormone ligand-binding receptors","HDR through Homologous Recombination (HRR)","Interleukin-1 signaling","Biosynthesi
s of DPAn-3 SPMs","RUNX3 Regulates Immune Response and Cell Migration","Activation of the pre-replicative complex",Eicosanoids,"NCAM1 interactions","Peptide ligand-binding receptors","Organic cation t
ransport","RUNX2 regulates bone development","SUMOylation of intracellular receptors","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Sterols are 12-hydroxylated by CYP8B1","MAP kinase activat
ion","Loss of proteins required for interphase microtubule organization from the centrosome","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Synthesis of bile acids and bile sa
lts via 27-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors",Adrenoceptors,"Serotonin receptors","ADORA2B mediated a
nti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Homologous DNA Pairing and Strand Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Bio
synthesis of DPAn-3-derived protectins and resolvins","Tachykinin receptors bind tachykinins","RUNX2 regulates osteoblast differentiation","MAPK targets/ Nuclear events mediated by MAP kinases","Loss 
of Nlp from mitotic centrosomes","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{KCNA10}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{ketoconazole,Ketocanazole,65277-42-1,65277421,C26H28Cl2N4O4,Spectrum_000855,Spectrum000855,Spectrum-000855,"Spectrum 000855",Spectrum2_000130,Spectrum2000130,Spectrum2-000130,"Spectrum2 000130",Spect
rum3_000477,Spectrum3000477,Spectrum3-000477,"Spectrum3 000477",Spectrum4_000029,Spectrum4000029,Spectrum4-000029,"Spectrum4 000029",Spectrum5_000906,Spectrum5000906,Spectrum5-000906,"Spectrum5 000906
",BSPBio_002214,BSPBio002214,BSPBio-002214,"BSPBio 002214",KBioGR_000437,KBioGR000437,KBioGR-000437,"KBioGR 000437",KBioSS_001335,KBioSS001335,KBioSS-001335,"KBioSS 001335",DivK1c_000541,DivK1c000541,
DivK1c-000541,"DivK1c 000541",SPECTRUM1500362,SPBio_000180,SPBio000180,SPBio-000180,"SPBio 000180",SCHEMBL13575830,CHEBI:,1500362,KETOCONAZOLE}

> <pdid>
PD001920

> <targets>
{}

> <classes>
{antifungal}

> <pubchem_cids>
{5702077}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -3.9038    5.2484    0.0000 Cl  0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3034    3.7525    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11742

> <plate>
PLATE 010

> <well>
H2

> <supplier_cmpd_name>
Lamotrigine

> <ctcr_id>
4982

> <supplier_cmpd_id>
T0680

> <smiles>
Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl

> <pd_targets>
{CYP2D6,MAPK1,BLM,DFRA17,SCN2A,SCN1A,SCN3A,SCN10A,PMP22,CHRM1,SCN4A,SCN5A,SCN9A,SCN11A,SCN7A,SCN8A,CACNA1E,ADORA1,ADORA2A,ADRA1A,ADRA2A,ADRB1,DRD1,DRD5,DRD2,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,G
ABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,HRH1,OPRK1,CHRNA1,HTR2A,HTR3A,GRIA1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein","Membrane receptor","Cytochrome P450",Kinase,Oxidoreductase,"Voltage-gated ion channel","Family A G protein-coupled receptor","Ligand-gated ion channel","C
ytochrome P450 family 2","Protein Kinase","Voltage-gated sodium channel","Small molecule receptor (family A GPCR)","Voltage-gated calcium channel","GABA-A receptor","Peptide receptor (family A GPCR)",
"Nicotinic acetylcholine receptor","5HT3 receptor","Ionotropic glutamate receptor","Cytochrome P450 family 2D","CMGC protein kinase group","Monoamine receptor","Nucleotide-like receptor (family A GPCR
)","Short peptide receptor (family A GPCR)","Nicotinic acetylcholine receptor alpha subunit","AMPA receptor","Cytochrome P450 2D6","CMGC protein kinase MAPK family","Acetylcholine receptor","Adenosine
 receptor","Adrenergic receptor","Dopamine receptor","Histamine receptor","Opioid receptor","Serotonin receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Cytochrome P450","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","G protein-coupled receptors","Ligand-gated ion channels","CYP2 family: drug metabolising subset
","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Voltage-gated sodium channels","Acetylcholine receptors (muscarinic)","Voltage-gated calcium channels","Adenosine receptors",Adrenoceptors,"Dopamine 
receptors","Histamine receptors","Opioid receptors","Nicotinic acetylcholine receptors","5-Hydroxytryptamine receptors","5-HT<sub>3</sub> receptors","Ionotropic glutamate receptors","Mitogen-activated
 protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","DNA Repair","Developmental Biology","Signal Transduction",Disease,"Gene expression (Transcription)","Neuronal System","Metabolism of proteins","Biological oxidations","Inn
ate Immune System","DNA Double-Strand Break Repair","Nervous system development","Signaling by GPCR","Integration of energy metabolism","Infectious disease","RNA Polymerase II Transcription","Transmis
sion across Chemical Synapses","Post-translational protein modification","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Homology Directed Repair","Axon guidance","EGR2 and S
OX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","Regulation of insulin secretion","Leishmania infection","Generic Transcription Pathway","Neurotransmitter receptors and pos
tsynaptic signal transmission","Asparagine N-linked glycosylation","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","HDR through Homologous Recombination (HRR) or S
ingle Strand Annealing (SSA)","L1CAM interactions","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Transcriptional Regulation by MECP2","Acetylcholine binding and dow
nstream events","Transport to the Golgi and subsequent modification",Xenobiotics,"MyD88 cascade initiated on plasma membrane","HDR through Homologous Recombination (HRR)","Interaction between L1 and A
nkyrins","Amine ligand-binding receptors","Nucleotide-like (purinergic) receptors","Anti-inflammatory response favouring Leishmania parasite infection","MECP2 regulates neuronal receptors and channels
","Postsynaptic nicotinic acetylcholine receptors","ER to Golgi Anterograde Transport","CYP2E1 reactions","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine
 receptors","Adenosine P1 receptors","ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors,"Dopamine receptors","Histamine receptors","Highly calcium permeable postsynaptic nicotinic
 acetylcholine receptors","Serotonin receptors","Cargo concentration in the ER","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange"
,"ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"serotonin receptor antagonist","sodium channel blocker"}

> <synonyms>
{lamotrigine,84057-84-1,84057841,"6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine","6(2,3Dichlorophenyl)1,2,4triazine3,5diamine",Lamictal,"Lamictal Cd","Lamictal XR","Lamotriginum (Latin)","Lamotrig
ina (Spanish)",Lamotriginum,"BW 430C",BW-430C,BW430C,Lamotrigina,"Lamictal ODT",3,5-Diamino-6-(2,5Diamino6(2,3-dichl,3dichl,T0680,SAM001246697,1505610,Prestw-1492,Lamotrigine,CPD000058464,LAMOTRIGINE}

> <pdid>
PD000352

> <targets>
{Autophagy,Sodium Channel}

> <classes>
{anticonvulsant,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{3878}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 59 63  0  0  1  0            999 V2000
   -7.4552   -3.5838    0.0000 C   0  0
   -6.0104   -3.9870    0.0000 O   0  0
   -4.9400   -2.9400    0.0000 C   0  0  1  0  0  0
   -3.3500   -3.2400    0.0000 C   0  0
   -3.1000   -4.8300    0.0000 C   0  0
   -1.5200   -5.1200    0.0000 O   0  0
   -0.7000   -3.7400    0.0000 C   0  0  1  0  0  0
   -2.1973   -3.6507    0.0000 C   0  0
   -1.3600   -2.2500    0.0000 O   0  0
   -0.1600   -1.1700    0.0000 C   0  0
   -0.1600    0.4200    0.0000 C   0  0
   -1.0286    0.9155    0.0000 C   0  0
    1.2100    1.2300    0.0000 C   0  0
    1.2029    2.7300    0.0000 O   0  0
    2.6100    0.4200    0.0000 C   0  0
    4.0000    1.2300    0.0000 C   0  0
    3.9954    2.7300    0.0000 O   0  0
    5.4100    0.4200    0.0000 C   0  0
    6.8200    1.2300    0.0000 N   0  0
    6.4200    3.1700    0.0000 C   0  0
    7.6031    4.0921    0.0000 O   0  0
    5.2400    3.7400    0.0000 C   0  0
    3.6200    3.7900    0.0000 C   0  0
    2.3600    2.7300    0.0000 C   0  0
    1.1200    3.8200    0.0000 C   0  0
   -0.2200    3.0400    0.0000 C   0  0  2  0  0  0
   -0.3675    1.5473    0.0000 C   0  0
   -1.4300    4.1100    0.0000 C   0  0  2  0  0  0
   -1.2537    5.5996    0.0000 O   0  0
   -2.8600    3.3500    0.0000 C   0  0  1  0  0  0
   -4.2023    4.0195    0.0000 C   0  0
   -2.6100    1.7700    0.0000 C   0  0  1  0  0  0
   -1.7116    1.3309    0.0000 O   0  0
   -4.0400    0.9800    0.0000 C   0  0  1  0  0  0
   -5.3935    1.6266    0.0000 C   0  0
   -3.7700   -0.5500    0.0000 C   0  0  2  0  0  0
   -2.4087   -1.1738    0.0000 O   0  0
   -2.2675   -2.6680    0.0000 C   0  0
   -3.0828   -3.2470    0.0000 C   0  0
   -1.3585   -3.0848    0.0000 O   0  0
   -5.2000   -1.3500    0.0000 C   0  0  2  0  0  0
   -6.5511   -0.6985    0.0000 C   0  0
    5.5972    5.1969    0.0000 C   0  0
    5.4100   -1.1700    0.0000 C   0  0
    6.7110   -1.9161    0.0000 C   0  0
    6.7165   -3.4169    0.0000 N   0  0
    8.0185   -4.1634    0.0000 N   0  0
    8.0262   -5.6634    0.0000 C   0  0
    9.3291   -6.4068    0.0000 C   0  0
   10.6243   -5.6502    0.0000 N   0  0
   11.9271   -6.3936    0.0000 C   0  0
   10.6167   -4.1502    0.0000 C   0  0
    9.3138   -3.4068    0.0000 C   0  0
    4.0000   -1.9800    0.0000 C   0  0
    3.9954   -3.4800    0.0000 O   0  0
    2.6100   -1.1700    0.0000 C   0  0
    1.2100   -1.9800    0.0000 C   0  0
    0.8800   -3.5500    0.0000 C   0  0
    1.8933   -4.6560    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  6
 26 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  1  6
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  6
 37 38  1  0
 38 39  1  0
 38 40  2  0
 36 41  1  0
 41  3  1  0
 41 42  1  1
 22 43  1  0
 18 44  1  0
 44 45  1  0
 45 46  2  3
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 50 52  1  0
 52 53  1  0
 53 47  1  0
 44 54  2  0
 54 55  1  0
 54 56  1  0
 56 15  1  0
 56 57  2  0
 57 10  1  0
 57 58  1  0
 58  7  1  0
 58 59  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11743

> <plate>
PLATE 010

> <well>
H3

> <supplier_cmpd_name>
Rifampicin

> <ctcr_id>
7008

> <supplier_cmpd_id>
T0681

> <smiles>
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)/C)c(C=NN5CCN(C)CC5)c(O)c4c3C2=O

> <pd_targets>
{NR1I2,SLCO1B3,INHA,ALB,ALOX15,ABCB11,SLCO1B1,SLCO1A2,GSTO1,CASP1,SLCO2B1,SLCO1A4,SLCO1A1,ABCC3,CYP51A1,ABCC2,ABCC4,CYP2B6,RPOA,RPOB,RPOC,RPOZ,GAA,KMT2A,MEN1,MAPK1,MAPT,ALDH1A1,HPGD,PYK,FFP,KDM4E,ALD,
TSHR,USP2,UCHL1,UCHL3,UCHL5,USP15}

> <pathway_gtopdb>
{"Transcription factor",Transporter,Enzyme,"Secreted protein","Epigenetic regulator","Other cytosolic protein","Nuclear receptor","Electrochemical transporter",Oxidoreductase,"Primary active transport
er",Protease,"Cytochrome P450",Transferase,Hydrolase,Reader,Kinase,Eraser,"Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","ATP-binding cassette","Cysteine protease","Cytoch
rome P450 family 51","Cytochrome P450 family 2",Bromodomain,"Protein Kinase","Lysine demethylase","Nuclear hormone receptor subfamily 1 group I","SLC21/SLCO family of organic anion transporting polype
ptides","ABCB subfamily","Cysteine protease CD clan","ABCC subfamily","Cytochrome P450 family 51A","Cytochrome P450 family 2B","Cysteine protease CA clan","CMGC protein kinase group","Jumonji domain-c
ontaining","Nuclear hormone receptor subfamily 1 group I member 2","Cysteine protease C14 family","Cytochrome P450 51A1","Cytochrome P450 2B6","Cysteine protease C1A family","CMGC protein kinase MAPK 
family","CMGC protein kinase ERK1","Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Glycohormone receptor","Cysteine protease C19 family","Cysteine proteas
e C12 family"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Nuclear hormone receptors","SLC superfamily of solute carriers","Eicosanoid turnover","ATP-binding cassette transporter family","2.5.1.18 Glutathione transferases","Pe
ptidases and proteinases","Cytochrome P450","3.2.1.- Glycosidases","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","1I. Vitamin D receptor-like receptors","SLCO family of organic anion transporti
ng polypeptides",Lipoxygenases,"ABCB subfamily","CD: Cysteine (C) Peptidases","ABCC subfamily",CYP39,"CYP46 and CYP51 families","CYP2 family: drug metabolising subset","CMGC: Containing CDK",MAPK,GSK3
,"CLK families","Prostaglandin synthases","1.14.11.- Histone demethylases","C14: Caspase","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily","G protein-coupled receptors","Glycoprotein 
hormone receptors","CA: Cysteine (C) Peptidases","C19: Ubiquitin-specific protease","C12: Ubiquitin C-terminal hydrolase"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Immune System","Gene expression (Transcription)","Transport of small molecules",Disease,Hemostasis,"Neuronal System","Post-translational protein modification","Me
tabolism of lipids","Cytokine Signaling in Immune system","RNA Polymerase II Transcription","SLC-mediated transmembrane transport","Biological oxidations","Disorders of transmembrane transporters","Pl
atelet activation","signaling and aggregation","Diseases of metabolism","Innate Immune System","Transmission across Chemical Synapses",SUMOylation,"Metabolism of steroids","Biosynthesis of specialized
 proresolving mediators (SPMs)","Signaling by Interleukins","Generic Transcription Pathway","Transport of vitamins",nucleosides,"and related molecules","Phase I - Functionalization of compounds","ABC 
transporter disorders","Response to elevated platelet cytosolic Ca2+","Diseases of carbohydrate metabolism","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmissi
on","SUMO E3 ligases SUMOylate target proteins","Bile acid and bile salt metabolism","Biosynthesis of DPA-derived SPMs","Interleukin-12 family signaling","Transcriptional Regulation by TP53","Transpor
t of organic anions","Cytochrome P450 - arranged by substrate type","Defective ABCC2 causes DJS","Platelet degranulation","Glycogen storage diseases","Toll Like Receptor 5 (TLR5) Cascade","Activation 
of NMDA receptors and postsynaptic events","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","SUMOylation of intracellular receptors","Recycling of bile acids and salts","Biosynthesis of DPAn-3 S
PMs","Synthesis of bile acids and bile salts","Interleukin-12 signaling","TP53 Regulates Transcription of Cell Death Genes","Endogenous sterols",Xenobiotics,"Glycogen storage disease type II (GAA)","M
yD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3-derived protectins and resolvins","Synthesis of bile acid
s and bile salts via 7alpha-hydroxycholesterol","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","TP53 Regulates Transcription of Caspase Activators and Caspases","
CYP2E1 reactions","MAP kinase activation","Activation of AMPK downstream of NMDARs","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated","Signal Transductio
n","Infectious disease","Signaling by TGFB family members","Leishmania infection",Deubiquitination,"Signaling by TGF-beta Receptor Complex","Leishmania parasite growth and survival","UCH proteinases",
"TGF-beta receptor signaling activates SMADs","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity","Downregulation of TGF-beta receptor signaling","ADORA2
B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{NR1I2,SLCO1A2,SLCO1B1,SLCO1B3}

> <broad_moa>
{"RNA polymerase inhibitor"}

> <synonyms>
{Rifampicin,rifampin,MLS001148237,MLS002548867,CHEMBL4565586,HMS2230H07,HMS3259C11,ZINC169722578,NC00480,SMR000653525,SMR001906767,SAM002264646,CPD001906767}

> <pdid>
PD002886

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{135900090}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 S   0  0
   -4.9546    1.9903    0.0000 C   0  0  2  0  0  0
   -6.4447    1.8344    0.0000 C   0  0
   -7.3266    3.0478    0.0000 O   0  0
   -3.9492    0.8772    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  1
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  1
 13 14  1  0
 12 15  1  0
 15  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11744

> <plate>
PLATE 010

> <well>
H4

> <supplier_cmpd_name>
Lamivudine

> <ctcr_id>
512

> <supplier_cmpd_id>
T0682

> <smiles>
NC1=NC(=O)N(C=C1)[C@@H]2CS[C@H](CO)O2

> <pd_targets>
{POL,ALB,LMNA,MAPT,CACNA1C,CACNA1D,CACNA1F,CACNA1S,HSF1,P,POLA1,POLA2,POLD1,POLD2,POLD3,POLD4,POLE,POLE2,POLE3,PRIM1,PRIM2}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Other nuclear protein","Other cytosolic protein","Ion channel",Hydrolase,"Voltage-gated ion channel",Transferase,"Voltage-gated calcium channel"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Neuronal System","Cellular responses to external stimuli","Metabolism of lipids",Mitotic,"Transmission across Chemical Synapses","Cellular responses to stress","Metabolism of
 steroids","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to heat stress","Bile acid and bile salt metabolism","Mitotic Metaphase and Anaphase","Activat
ion of NMDA receptors and postsynaptic events","HSF1-dependent transactivation","Recycling of bile acids and salts","Mitotic Anaphase","Post NMDA receptor activation events","Attenuation phase","Nucle
ar Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{lamivudine,134678-17-4,134678174,Epivir,Zeffix,Heptovir,Epivir-HBV,EpivirHBV,Heptodin,3TC,BCH-189,BCH189,(-)-2'-Deoxy-3'-thiacytidine,()2'Deoxy3'thiacytidine,"2',3'-Dideoxy-3'-thiacytidine","2',3'Did
eoxy3'thiacytidine","3'-Thia-2',3'-dideoxycytidine","3'Thia2',3'dideoxycytidine",GR-109714X,GR109714X,(-)-BCH-189,()BCH189,"beta-L-2',3'-Dideoxy-3'-thiacytidine","betaL2',3'Dideoxy3'thiacytidine",beta
-L-3'-,betaL3',T0682,SAM002589994,SAM001246582,Prestw-1298,Lamivudine,CPD000466319}

> <pdid>
PD000853

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60825}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2982   -3.7531    0.0000 C   0  0
    1.2961   -5.2539    0.0000 C   0  0
    2.5943   -6.0070    0.0000 C   0  0
    2.5944   -7.5070    0.0000 C   0  0
    3.8934   -8.2570    0.0000 C   0  0
    3.8934   -9.7570    0.0000 O   0  0
    5.1924   -7.5071    0.0000 C   0  0
    5.1925   -6.0071    0.0000 C   0  0
    6.4915   -5.2571    0.0000 O   0  0
    3.8935   -5.2570    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 20  1  0
 17 28  1  0
 28  8  1  0
 28 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11745

> <plate>
PLATE 010

> <well>
H5

> <supplier_cmpd_name>
Mevastatin

> <ctcr_id>
1927

> <supplier_cmpd_id>
T0683

> <smiles>
CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12

> <pd_targets>
{HMGCR,MAPK1,NPSR1,SMN1,KMT2A,MEN1,ALDH1A1,FTL,RORC,HTT,MTOR,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Unclassified protein","Transcription factor",Transporter,Oxidoreductase,Kinase,"Family A G protein-coupled receptor",Reader,"Nuclear receptor","Prim
ary active transporter","Protein Kinase","Peptide receptor (family A GPCR)","Methyl-lysine/arginine binding protein",Bromodomain,"Nuclear hormone receptor subfamily 1","ATP-binding cassette","CMGC pro
tein kinase group","Short peptide receptor (family A GPCR)","Tudor domain","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","ABCB subfamily","CMGC protein kinase MAPK fam
ily","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Lanosterol biosynthesis pathway","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Nuclear hormone receptors","ATP-binding cassette transporter family","CMGC: Cont
aining CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","1F. Retinoic acid-related orphans",Atypical,"ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3'
 kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System",Disease,"Metabolism of RNA","Vesicle-mediated transport","Gene expression (Transcription)","Metabolism of lipids","Innate Immune System","Infectious disease","Metabolism of
 non-coding RNA","Biological oxidations","Membrane Trafficking","RNA Polymerase II Transcription","Metabolism of steroids","Toll-like Receptor Cascades","Leishmania infection","snRNP Assembly","Phase 
I - Functionalization of compounds","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Toll Like Receptor 5 (TLR5) Cascade
","Leishmania parasite growth and survival","Ethanol oxidation","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX3","Transcriptional Regulation by MECP2","Transcriptional Regul
ation by TP53","Bile acid and bile salt metabolism","Activation of gene expression by SREBF (SREBP)","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leishmania paras
ite infection","RUNX3 Regulates Immune Response and Cell Migration","Regulation of MECP2 expression and activity","Regulation of TP53 Activity","Synthesis of bile acids and bile salts","MAP kinase act
ivation","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/
 Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{HMGCR}

> <broad_moa>
{"HMGCR inhibitor"}

> <synonyms>
{compactin,Compactin;ML236B,MLS002702124,NSC281245,84173-29-5,84173295,NCIChal_000002,NCIChal000002,NCIChal-000002,"NCIChal 000002",SCHEMBL7721400,CHEMBL1710493,HMS3372K09,HMS3394P07,"BRL 2485",BRL-24
85,BRL2485,AKOS025149489,NSC-281245,LS-15021,LS15021,NCI60_002287,NCI60002287,NCI60-002287,"NCI60 002287",SMR001565691,FT-0602328,FT0602328,58948-09-7,58948097,T0683,"NSC 281245",Mevastatin}

> <pdid>
PD000447

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2854}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    3.1202   -2.0921    0.0000 N   0  0
    1.6281   -2.2462    0.0000 C   0  0
    1.0161   -3.6157    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -2.6408    0.8580    0.0000 C   0  0  2  0  0  0
   -3.7580   -0.1251    0.0000 O   0  0
   -5.0368    0.6589    0.0000 C   0  0  2  0  0  0
   -6.4199    0.0830    0.0000 C   0  0
   -6.6139   -1.4044    0.0000 O   0  0
   -4.6863    2.1174    0.0000 C   0  0  1  0  0  0
   -5.6602    3.2582    0.0000 O   0  0
   -3.1909    2.2347    0.0000 C   0  0  1  0  0  0
   -2.3989    3.5086    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  4  2  0
  9  7  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 11 14  1  0
 14 15  1  1
 14 16  1  0
 16  9  1  0
 16 17  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11746

> <plate>
PLATE 010

> <well>
H6

> <supplier_cmpd_name>
Ribavirin

> <ctcr_id>
5961

> <supplier_cmpd_id>
T0684

> <smiles>
NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O

> <pd_targets>
{LMNA,SMN1,CHRM1,THPO,TOP1,ALDH1A1,IMPDH2,IMPDH1,GLA,CYP3A4,TSHR,PMP22,PA,PB1,ADORA1,NS5B,FFP}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator","Membrane receptor","Unclassified protein",Enzyme,Reader,"Family A G protein-coupled receptor",Isomerase,Oxidoreductase,Hydrolase,"Cytochrome P450",Tran
sferase,"Methyl-lysine/arginine binding protein","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Tudor domain","Monoamine receptor","Cytochrome
 P450 family 3A","Glycohormone receptor","Nucleotide-like receptor (family A GPCR)","Acetylcholine receptor","Cytochrome P450 3A4","Adenosine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","DNA topoisomerases","1.-.-.- Oxidoreductases","Cytochrome P450","Acetylcholine receptors (muscarinic)","CYP3 family","Glycoprotein hormone receptors",
"Adenosine receptors"}

> <pathway_reactome>
{"Cell Cycle","Metabolism of RNA","Signal Transduction",Hemostasis,"Metabolism of proteins",Metabolism,Disease,"Developmental Biology",Mitotic,"Metabolism of non-coding RNA","Signaling by GPCR","Plate
let activation","signaling and aggregation","Post-translational protein modification","Biological oxidations","Infectious disease","Metabolism of lipids","Nervous system development","M Phase","snRNP 
Assembly","GPCR ligand binding","Platelet Aggregation (Plug Formation)",SUMOylation,"Phase I - Functionalization of compounds","SARS-CoV Infections","Sphingolipid metabolism","Biosynthesis of speciali
zed proresolving mediators (SPMs)","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","SUMO
 E3 ligases SUMOylate target proteins","Ethanol oxidation","Potential therapeutics for SARS","Glycosphingolipid metabolism","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival"
,"Mitotic Anaphase","Amine ligand-binding receptors","SUMOylation of DNA replication proteins","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Nucleoti
de-like (purinergic) receptors","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","A
denosine P1 receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADK,ENPP1,IMPDH1,IMPDH2,NT5C2}

> <broad_moa>
{antiviral}

> <synonyms>
{M-7546,M7546,ribavirin,36791-04-5,36791045,Tribavirin,Rebetol,Virazole,Copegus,Vilona,Ribavirine,Viramid,Ribamide,Ribamidil,Ribasphere,Ribavirina,Ribavirinum,"Ribavirine (INN-French)","Ribavirine (IN
NFrench)","Ribavirinum (INN-Latin)","Ribavirinum (INNLatin)",ICN-1229,ICN1229,"Ribavirina (INN-Spanish)","Ribavirina (INNSpanish)",1-beta-D-Ribo,1betaDRibo,T0684,1503938,Prestw-993,Ribavirin,RIBAVIRIN
}

> <pdid>
PD000797

> <targets>
{Antibiotic,HCV,RSV}

> <classes>
{antiviral,Anti-infection}

> <pubchem_cids>
{37542}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6078   -5.9988    0.0000 C   0  0
    2.6131   -7.4988    0.0000 C   0  0
    3.9147   -8.2443    0.0000 C   0  0
    5.2112   -7.4898    0.0000 C   0  0
    5.2060   -5.9898    0.0000 C   0  0
    3.9044   -5.2443    0.0000 C   0  0
   -0.0020    3.0008    0.0000 C   0  0
   -1.3030    3.7490    0.0000 C   0  0
   -2.6024    2.9995    0.0000 C   0  0
   -3.9012    3.7500    0.0000 C   0  0
   -3.9006    5.2500    0.0000 C   0  0
   -2.6013    5.9995    0.0000 C   0  0
   -1.3026    5.2491    0.0000 C   0  0
    1.2969    3.7525    0.0000 C   0  0
    2.5983    3.0066    0.0000 C   0  0
    3.8951    3.7606    0.0000 C   0  0
    3.8905    5.2606    0.0000 C   0  0
    2.5891    6.0066    0.0000 C   0  0
    1.2924    5.2526    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  3 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 16 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11747

> <plate>
PLATE 010

> <well>
H7

> <supplier_cmpd_name>
Stugeron

> <ctcr_id>
3036

> <supplier_cmpd_id>
T0903

> <smiles>
C1CN(CCN1C\C=C\c2ccccc2)C(c3ccccc3)c4ccccc4

> <pd_targets>
{CHRM1,CYP3A4,MAPK1,ABCB11,ALDH1A1,ADRA1A,NPSR1,GAA,HRH4,ADRA1B,LMNA,HIF1A,GMNN,ESR2,SCN1A,SCN2A,SCN3A,NFO,ADRA2A,DRD3,HTR1A,HTR2B,SLC6A4,CHRM5,OPRM1,DRD2,SIGMAR1,CHRM3,ADRA2C,SLC6A2,HRH1,HTR2A,ADRA1D
,ADRA2B,CHRM4,SLC6A3,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNA1G,CACNA1H,CACNA1I,DRD1,DRD5,CHRM2}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,Transporter,"Other nuclear protein","Transcription factor","Unclassified protein","Ion channel","Family A G protein-coupled receptor","Cytochrome P450",Kinase,"Primary acti
ve transporter",Oxidoreductase,Hydrolase,Protease,"Nuclear receptor","Voltage-gated ion channel","Electrochemical transporter","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Pro
tein Kinase","ATP-binding cassette","Peptide receptor (family A GPCR)","Cysteine protease","Nuclear hormone receptor subfamily 3","Voltage-gated sodium channel","SLC superfamily of solute carriers","V
oltage-gated calcium channel","Monoamine receptor","Cytochrome P450 family 3A","CMGC protein kinase group","ABCB subfamily","Short peptide receptor (family A GPCR)","Cysteine protease CA clan","Nuclea
r hormone receptor subfamily 3 group A","SLC06 neurotransmitter transporter family","Acetylcholine receptor","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Adrenergic receptor","Neuropeptide
 receptor","Histamine receptor","Cysteine protease C1A family","Nuclear hormone receptor subfamily 3 group A member 2","Dopamine receptor","Serotonin receptor","Opioid receptor","CMGC protein kinase E
RK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Other protein targets","Ion channels","G protein-coupled receptors","Cytochrome P450","Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","3.2.1.- Glycosi
dases","Nuclear hormone receptors","SLC superfamily of solute carriers","Sigma receptors","Voltage-gated ion channels","Acetylcholine receptors (muscarinic)","CYP3 family","CMGC: Containing CDK",MAPK,
GSK3,"CLK families","ABCB subfamily",Adrenoceptors,"Neuropeptide S receptor","Histamine receptors","Steroid hormone receptors","Dopamine receptors","5-Hydroxytryptamine receptors","SLC6 neurotransmitt
er transporter family","Opioid receptors","Voltage-gated calcium channels","Mitogen-activated protein kinases (MAP kinases)","3A. Estrogen receptors","Monoamine transporter subfamily","ERK subfamily"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Immune System",Disease,"Cell Cycle","Cellular responses to external stimuli","Neuronal System","Developmental Biology","Signaling by GPCR","Metabolism of lipids","In
nate Immune System","Biological oxidations","Infectious disease","Diseases of metabolism",Mitotic,"Cellular responses to stress","Intracellular signaling by second messengers","Transmission across Che
mical Synapses","Disorders of transmembrane transporters","Nervous system development","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","
Metabolism of steroids","Phase I - Functionalization of compounds","Leishmania infection","Diseases of carbohydrate metabolism","M Phase","Cellular response to hypoxia","Mitotic G1 phase and G1/S tran
sition","PIP3 activates AKT signaling","Neurotransmitter clearance","GPCR downstream signalling","SARS-CoV Infections","SLC transporter disorders","Axon guidance","Class A/1 (Rhodopsin-like receptors)
","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Bile acid and bile salt metabolism","Ethanol oxidation","Leishmania parasite growth and survival","Glycogen storage diseases
","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","G1/S Transition","Negative regulation of the PI3K/AKT network","Serotonin clearance from 
the synaptic cleft","G alpha (i) signalling events","Potential therapeutics for SARS","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (P
KDYS)","NCAM signaling for neurite out-growth","Amine ligand-binding receptors","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","Synthesis of bile acids and bile salts","Anti-i
nflammatory response favouring Leishmania parasite infection","Glycogen storage disease type II (GAA)","Mitotic Anaphase","Activation of the pre-replicative complex",PI5P,"PP2A and IER3 Regulate PI3K/
AKT Signaling","Opioid Signalling","NCAM1 interactions","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","MAP kinase activation","Synthesis of bile acids and bile salts via 7al
pha-hydroxycholesterol",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","Histamine receptors","Nuclear Envelope (NE) Reassembly","Dopamine receptors","Serotonin receptors","G-p
rotein activation","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{cinnarizine,Stugeron,298-57-7,298577,Dimitronal,Stutgin,Dimitron,Folcodal,Midronal,Mitronal,Stutgeron,Glanil,Labyrin,Lazeta,Marisan,Toliman,Sepan,Cinazyn,Cinnarizinum,Aplactan,Cinarizina,Cinnageron,C
erepar,Piperazine,1-(diphenylmethyl)-4-(3-phenyl-,1(diphenylmethyl)4(3phenyl,T0903,Prestw-278,Cinnarizine}

> <pdid>
PD002810

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{1547484}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 35  0  0  1  0            999 V2000
    7.8272  -16.0505    0.0000 C   0  0
    7.8241  -14.5505    0.0000 C   0  0
    6.5232  -13.8020    0.0000 C   0  0
    6.5201  -12.3012    0.0000 C   0  0
    5.2192  -11.5527    0.0000 C   0  0
    5.2160  -10.0519    0.0000 C   0  0
    3.9152   -9.3034    0.0000 C   0  0
    3.9120   -7.8025    0.0000 C   0  0
    2.6112   -7.0540    0.0000 C   0  0
    2.6080   -5.5532    0.0000 C   0  0
    1.3072   -4.8047    0.0000 C   0  0
    1.3040   -3.3039    0.0000 C   0  0  1  0  0  0
    0.0032   -2.5554    0.0000 C   0  0
    0.0000   -1.0607    0.0000 C   0  0  1  0  0  0
    1.0607    0.0000    0.0000 O   0  0
    0.0000    1.0607    0.0000 C   0  0
    0.0000    2.5607    0.0000 O   0  0
   -1.0607    0.0000    0.0000 C   0  0  1  0  0  0
   -2.5554    0.0031    0.0000 C   0  0
   -3.3039    1.3040    0.0000 C   0  0
   -4.8047    1.3071    0.0000 C   0  0
   -5.5532    2.6080    0.0000 C   0  0
   -7.0541    2.6111    0.0000 C   0  0
   -7.8022    3.9113    0.0000 C   0  0
    2.6009   -2.5485    0.0000 O   0  0
    2.5961   -1.0477    0.0000 C   0  0
    1.7283   -0.5507    0.0000 O   0  0
    3.8929   -0.2923    0.0000 C   0  0  1  0  0  0
    5.1969   -1.0354    0.0000 C   0  0
    6.4929   -0.2786    0.0000 C   0  0
    7.7961   -1.0213    0.0000 C   0  0
    6.4850    1.2214    0.0000 C   0  0
    3.8881    1.2085    0.0000 N   0  0
    5.1850    1.9639    0.0000 C   0  0
    5.1801    3.4639    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 12 11  1  1
 12 13  1  0
 14 13  1  6
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 14  1  0
 18 19  1  6
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 12 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  6
 29 30  1  0
 30 31  1  0
 30 32  1  0
 28 33  1  0
 33 34  1  0
 34 35  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11748

> <plate>
PLATE 010

> <well>
H8

> <supplier_cmpd_name>
Orlistat

> <ctcr_id>
4571

> <supplier_cmpd_id>
T0686

> <smiles>
CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O

> <pd_targets>
{PNLIP,FASN,DAGLB,ABHD12,KMT2A,MEN1,NR1I2,DAGLA,MAPT,FAAH,ABHD16A,CNR1,ABHD6,LIPC,PLA2G7,LIPG,LPL,LIPF,HSD17B10,USP2,CYP3A4,KDM4E}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Other cytosolic protein","Membrane receptor",Hydrolase,Transferase,Reader,"Nuclear receptor","Family A G protein-coupled receptor",Oxidoreductase
,Protease,"Cytochrome P450",Eraser,Bromodomain,"Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Cysteine protease","Cytochrome P450 family 3","Lysine demethylase","Nuc
lear hormone receptor subfamily 1 group I","Lipid-like ligand receptor (family A GPCR)","Cysteine protease CA clan","Cytochrome P450 family 3A","Jumonji domain-containing","Nuclear hormone receptor su
bfamily 1 group I member 2","Cannabinoid receptor","Cysteine protease C19 family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,Hydrolases,"2.3.1.-  Acyltransferases","Endocannabinoid turnover","Nuclear hormone receptors","G protein-coupled receptors","Glycerophospholipid turnover","Peptidases and proteinase
s","Cytochrome P450","Chromatin modifying enzymes","2-Acylglycerol ester turnover","1I. Vitamin D receptor-like receptors","<i>N</i>-Acylethanolamine turnover","Cannabinoid receptors","Phospholipase A
<sub>2</sub>","SC: Serine (S) Peptidases","CA: Cysteine (C) Peptidases","CYP3 family","1.14.11.- Histone demethylases","S33: Prolyl aminopeptidase","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{Metabolism,Hemostasis,"Metabolism of proteins","Neuronal System","Signal Transduction","Transport of small molecules","Digestion and absorption","Gene expression (Transcription)","Metabolism of vitam
ins and cofactors","Metabolism of lipids","Platelet activation","signaling and aggregation","Post-translational protein modification","Transmission across Chemical Synapses","Signaling by GPCR","Plasm
a lipoprotein assembly",remodeling,"and clearance","Peptide hormone metabolism",Digestion,"Metabolism of amino acids and derivatives","RNA Polymerase II Transcription","Metabolism of fat-soluble vitam
ins","Metabolism of steroids","Effects of PIP2 hydrolysis",SUMOylation,"Neurotransmitter receptors and postsynaptic signal transmission","Fatty acid metabolism","GPCR downstream signalling","Plasma li
poprotein clearance",Synthesis,secretion,"and deacylation of Ghrelin","Plasma lipoprotein remodeling","Digestion of dietary lipid","Branched-chain amino acid catabolism","Generic Transcription Pathway
","Biosynthesis of specialized proresolving mediators (SPMs)","Retinoid metabolism and transport","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Arachidonate production from DAG","SUMO E3 
ligases SUMOylate target proteins","Activation of NMDA receptors and postsynaptic events","Arachidonic acid metabolism","G alpha (i) signalling events","Chylomicron clearance","HDL remodeling","Transc
riptional Regulation by TP53","Biosynthesis of DHA-derived SPMs","Activation of gene expression by SREBF (SREBP)","SUMOylation of intracellular receptors","Post NMDA receptor activation events","Regul
ation of TP53 Activity","Biosynthesis of maresins","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","Biosynthesis of maresin-like SPMs","Regulation of TP53 Deg
radation"}

> <broad_targets>
{CNR1,DAGLA,DAGLB,FASN,LIPF,PNLIP}

> <broad_moa>
{"lipase inhibitor"}

> <synonyms>
{"(S,S,R,R)-Orlistat","(S,S,R,R)Orlistat",Spectrum_001709,Spectrum001709,Spectrum-001709,"Spectrum 001709",Spectrum2_001678,Spectrum2001678,Spectrum2-001678,"Spectrum2 001678",Spectrum3_001670,Spectru
m3001670,Spectrum3-001670,"Spectrum3 001670",Spectrum4_000637,Spectrum4000637,Spectrum4-000637,"Spectrum4 000637",Spectrum5_001472,Spectrum5001472,Spectrum5-001472,"Spectrum5 001472",BSPBio_003459,BSP
Bio003459,BSPBio-003459,"BSPBio 003459",KBioGR_001254,KBioGR001254,KBioGR-001254,"KBioGR 001254",KBioSS_002189,KBioSS002189,KBioSS-002189,"KBioSS 002189",SPECTRUM1504300,SPBio_001895,SPBio001895,SPBio
-001895,"SPBio 001895",KBio2_002189,KBio2002189,KBio2-002189,"KBio2 002189",KBio2_004757,KBio2004757,KBio2-004757,"KBio2 004757",KBio2_007325,KBio2007325,KBio2-007325,"KBio2 007325",KBio3_002679,KBio3
002679,KBio3-002679,"KBio3 002679",HMS1922J19,HMS2093,1504300,ORLISTAT}

> <pdid>
PD001193

> <targets>
{}

> <classes>
{antiobesity,"reversible lipase inhibitor"}

> <pubchem_cids>
{6710691}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 11  0  0  1  0            999 V2000
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0  1  0  0  0
    2.6000   -1.5000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 N   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3992    0.0004    0.0000 N   0  0
    9.0999    2.2500    0.0000 N   0  0
    1.3000    2.2500    0.0000 O   0  0
   12.8999    0.3750    0.0000 Cl  0  0
  1  2  2  0
  1  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11749

> <plate>
PLATE 010

> <well>
H9

> <supplier_cmpd_name>
L-arginine monohydrochloride

> <ctcr_id>
11052

> <supplier_cmpd_id>
T0670

> <smiles>
C(=O)([C@@H](N)CCCNC(=N)N)O.Cl

> <pd_targets>
{GPRC6A,NFKB1,CYP1A2,NOS2,CYP2C19,FFP,GLA,LEF,APEX1,CHRM1}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein",Enzyme,"Family C G protein-coupled receptor","Cytochrome P450",Transferase,Hydrolase,Protease,"Family A G protein-coupled receptor","Cytochrome P450 fami
ly 1","Cytochrome P450 family 2","Metallo protease","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Metallo protease MAE clan","Monoamine receptor","
Cytochrome P450 1A1","Cytochrome P450 2C19","Metallo protease M34 family","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","L-Arginine turnover","Orphan and other 7TM receptors","CYP1 family","Nitric oxide synthases","CYP2 family: drug metabolising subset"
,"Acetylcholine receptors (muscarinic)","Class C Orphans"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"DNA Repair","Signaling by GPCR","Cytokine Signaling in Immune system","Biological oxidations","Infectious disease","Metabolism of lipids","Ba
se Excision Repair","GPCR downstream signalling","Signaling by Interleukins","Phase I - Functionalization of compounds","Infection with Mycobacterium tuberculosis","Sphingolipid metabolism","Uptake an
d actions of bacterial toxins","Resolution of Abasic Sites (AP sites)","GPCR ligand binding","G alpha (q) signalling events","Interleukin-1 family signaling","Cytochrome P450 - arranged by substrate t
ype","Response of Mtb to phagocytosis","Glycosphingolipid metabolism","Uptake and function of anthrax toxins","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Class A/1 
(Rhodopsin-like receptors)","Interleukin-1 signaling",Xenobiotics,"Suppression of phagosomal maturation","PCNA-Dependent Long Patch Base Excision Repair","Amine ligand-binding receptors","MAP3K8 (TPL2
)-dependent MAPK1/3 activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Inhibition of nitric oxide production","CYP2E1 reactions","Muscarinic acetylcholine receptors"}

> <broad_targets>
{ARG2,ASL,ASS1,AZIN2,GPRC6A,NOS2,NOS3,SLC7A1,SLC7A3,SLC7A4}

> <broad_moa>
{"nitric oxide precursor"}

> <synonyms>
{"ARGININE MONOHYDROCHLORID","L-Arginine hydrochloride","LArginine hydrochloride","L Arginine hydrochloride",1119-34-2,1119342,"1119 34 2","Arginine Hydrochloride","L-Arginine monohydrochloride","LArg
inine monohydrochloride",L,T0670,"L-arginine monohydrochloride"}

> <pdid>
PD002820

> <targets>
{"Amino Acids and Derivatives"}

> <classes>
{Others}

> <pubchem_cids>
{66250}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 31  0  0  1  0            999 V2000
   10.3003   -4.5074    0.0000 Na  0  3
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0  2  0  0  0
    1.2982   -3.7531    0.0000 C   0  0
    1.2961   -5.2539    0.0000 C   0  0
    2.5943   -6.0070    0.0000 C   0  0  1  0  0  0
    3.8946   -5.2592    0.0000 O   0  0
    2.5922   -7.5078    0.0000 C   0  0
    3.8904   -8.2609    0.0000 C   0  0  1  0  0  0
    5.1907   -7.5131    0.0000 O   0  0
    3.8883   -9.7617    0.0000 C   0  0
    5.1865  -10.5148    0.0000 C   0  0
    6.4868   -9.7671    0.0000 O   0  5
    5.1843  -12.0148    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 19 31  1  0
 31  9  1  0
 31 14  1  0
M  CHG  2   1   1  29  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11750

> <plate>
PLATE 010

> <well>
H10

> <supplier_cmpd_name>
Pravastatin sodium

> <ctcr_id>
5153

> <supplier_cmpd_id>
T0672

> <smiles>
[Na+].CCC(C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)C12

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SPECTRUM1505803,HMS1922H10,HMS2093F04,CCG-39051,CCG39051,T0672,1505803,"Pravastatin sodium","PRAVASTATIN SODIUM"}

> <pdid>

> <targets>
{}

> <classes>
{antihyperlipidemic,"HMGCoA reductase inhibitor"}

> <pubchem_cids>
{23682220}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    0.2951   -8.3214    0.0000 C   0  0
    1.7951   -8.3214    0.0000 C   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5497   -4.4224    0.0000 S   0  0
    4.0497   -4.4250    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    4.0452   -7.0225    0.0000 N   0  0
    4.7951   -8.3215    0.0000 C   0  0
    4.0450   -9.6205    0.0000 C   0  0
    2.5450   -9.6205    0.0000 C   0  0
    1.7973  -10.9218    0.0000 O   0  0
    2.5495  -12.2205    0.0000 C   0  0
    1.8017  -13.5217    0.0000 C   0  0
    2.5535  -14.8197    0.0000 F   0  0
    0.3017  -13.5243    0.0000 F   0  0
    1.0537  -14.8219    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15  7  2  0
  3 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19  2  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11751

> <plate>
PLATE 010

> <well>
H11

> <supplier_cmpd_name>
Lansoprazole

> <ctcr_id>
459

> <supplier_cmpd_id>
T0674

> <smiles>
Cc1c(C[S](=O)c2[nH]c3ccccc3n2)nccc1OCC(F)(F)F

> <pd_targets>
{AMPC,LMNA,GLA,ALDH1A1,FFP,CYP2D6,CYP3A4,CYP2C9,FASN,REP,RAB9A,TSHR,MAPT,CYP2C19,RORC,ALOX15,KDM4E,HIF1A,ALD,NPC1,PHOSPHO1,CYP1A2,CYP2C8,DDAH1,HSD17B10,PMP22,HPGD,GAA,ATP4A,ATP4B,ATP1A1,ATP1A2,ATP1A3,
ATP1A4,ATP1B1,ATP1B2,ATP1B3,FXYD2,CHRM1,IDO2,IDO1,ENGASE,ABCB1,SARM1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor","Other cytosolic protein","Transcription factor","Epigenetic regulator",Transporter,"Unclassified protein",Hydrolase,Oxidoreductase,Transferase,"Cyt
ochrome P450","Family A G protein-coupled receptor","Nuclear receptor",Eraser,Phosphatase,"Primary active transporter","Cytochrome P450 family 2","Cytochrome P450 family 3","Peptide receptor (family A
 GPCR)","Nuclear hormone receptor subfamily 1","Lysine demethylase","Cytochrome P450 family 1","P-type ATPase","Small molecule receptor (family A GPCR)","ATP-binding cassette","Cytochrome P450 family 
2D","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group F","Jumonji domain-containing","Cytochrome P450 family 1A","Hydrogen pot
assium ATPase","Sodium potassium ATPase","Monoamine receptor","ABCB subfamily","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 2C19","Nuclear hormone receptor subfam
ily 1 group F member 3","Cytochrome P450 1A1","Cytochrome P450 2C8","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,Transporters,"Cytochrome P450","2.3.1.-  Acyltransferases","Anti-infective targets","G protein-coupled receptors","Nuclear hormone receptors","Eicosanoid tur
nover","Chromatin modifying enzymes","SLC superfamily of solute carriers","L-Arginine turnover","3.2.1.- Glycosidases","1.13.11.- Dioxygenases","ATP-binding cassette transporter family","P-type ATPase
s","CYP2 family: drug metabolising subset","CYP3 family","Viral protein targets","Glycoprotein hormone receptors","1F. Retinoic acid-related orphans",Lipoxygenases,"1.14.11.- Histone demethylases","SL
C65 NPC-type cholesterol transporters","CYP1 family","Dimethylarginine dimethylaminohydrolases","Prostaglandin synthases","Acetylcholine receptors (muscarinic)","ABCB subfamily","P2C P-type ATPases","
Coronavirus (CoV) proteins",H<sup>+</sup>/K<sup>+</sup>-ATPases}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,"Signal Transduction","Neuronal System","Gene expression (Transcription)","Cellular responses to external stimuli","Transport of small molecules","Developmental Biolog
y","Metabolism of proteins",Mitotic,"Metabolism of lipids","Biological oxidations","Infectious disease","Signaling by Rho GTPases","Transmission across Chemical Synapses","RNA Polymerase II Transcript
ion","Cellular responses to stress","Plasma lipoprotein assembly",remodeling,"and clearance","Metabolism of nitric oxide: NOS3 activation and regulation","Metabolism of amino acids and derivatives","N
ervous system development","Diseases of metabolism","Signaling by GPCR","Post-translational protein modification","Abacavir transport and metabolism","Ion channel transport","M Phase","Sphingolipid me
tabolism","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","SARS-CoV Infections","Rho GTPase cycle","Leishmania infection
","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Cellular response to hypoxia","Plasma lipoprotein clearance","Phospholipid metabolism","eNOS activa
tion","Branched-chain amino acid catabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Diseases of carbohydrate metabolism","GPCR ligand binding","Tryptophan catabolism","Aspar
agine N-linked glycosylation","Abacavir transmembrane transport","Ion transport by P-type ATPases","Mitotic Metaphase and Anaphase","Glycosphingolipid metabolism","Ethanol oxidation","Cytochrome P450 
- arranged by substrate type","Biosynthesis of DHA-derived SPMs","Regulation of cholesterol biosynthesis by SREBP (SREBF)","SARS-CoV-2 Infection","RHOBTB GTPase Cycle","Leishmania parasite growth and 
survival","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible F
actor Alpha","LDL clearance","Glycerophospholipid biosynthesis","Glycogen storage diseases","Class A/1 (Rhodopsin-like receptors)","N-glycan trimming in the ER and Calnexin/Calreticulin cycle","Mitoti
c Anaphase",Xenobiotics,"Biosynthesis of maresins","Activation of gene expression by SREBF (SREBP)","SARS-CoV-2 Genome Replication and Transcription","RHOBTB3 ATPase cycle","Anti-inflammatory response
 favouring Leishmania parasite infection","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Synthesis of PC","Biosynthesis of D
-series resolvins","Glycogen storage disease type II (GAA)","Amine ligand-binding receptors","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Replication of t
he SARS-CoV-2 genome","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can
 be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation","Immune System","Innate Immune System","Toll-like Receptor Cascade
s","Toll Like Receptor 4 (TLR4) Cascade","MyD88-independent TLR4 cascade","TRIF(TICAM1)-mediated TLR4 signaling","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{ATP4A,ATP4B}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{lansoprazole,103577-45-3,103577453,Prevacid,Bamalite,Monolitum,Ogastro,Lansoprazol,Agopton,Limpidex,Lanzor,Opiren,"Prevacid SoluTab",Lanzopral,Takepron,Zoton,Lanproton,Lansopep,Lasoprol,Mesactol,Apra
zol,Blason,Ketian,Lancid,Lanston,Lanz,AG-1749,AG1749,Lansoprazolum,SAM001246544,1503926,Prestw-1072,S4099,CPD000058469,LANSOPRAZOLE,Lansoprazole,Dexlansoprazole}

> <pdid>
PD000804

> <targets>
{Others}

> <classes>
{Others,antiulcer}

> <pubchem_cids>
{3883}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  5  4  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.8993    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11752

> <plate>
PLATE 011

> <well>
A2

> <supplier_cmpd_name>
Hydroxyurea

> <ctcr_id>
6915

> <supplier_cmpd_id>
T0676

> <smiles>
NC(=O)NO

> <pd_targets>
{PMP22,BLM,CA2,LMNA,NFKB1,CYP3A4,CA9,CA5A,RRM2,RRM1,RRM2B}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Other nuclear protein","Other cytosolic protein",Lyase,"Cytochrome P450",Oxidoreductase,"Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases","Cytochrome P450","1.17.4.1 Ribonucleoside-diphosphate reductases","CYP3 family"}

> <pathway_reactome>
{"Developmental Biology","DNA Repair","Transport of small molecules","Cell Cycle","Immune System",Metabolism,"Cellular responses to external stimuli","Nervous system development","DNA Double-Strand Br
eak Repair","O2/CO2 exchange in erythrocytes",Mitotic,"Cytokine Signaling in Immune system","Metabolism of lipids","Cellular responses to stress","Reversible hydration of carbon dioxide","Metabolism o
f nucleotides","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Erythrocytes take up carbon dioxide and release oxygen","M Phase","Signaling by Interleukins
","Biosynthesis of specialized proresolving mediators (SPMs)","Cellular response to hypoxia","Mitotic G1 phase and G1/S transition","Interconversion of nucleotide di- and triphosphates","HDR through H
omologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Interleukin-1 family signaling","Biosynthesis of DHA-derived SPMs","Regulation of gene expression by H
ypoxia-inducible Factor","G1/S Transition","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Interleukin-1 signaling","Biosynthesis of maresins","G1/S-Specific Transcription","Homologou
s DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Presynaptic phase of homologous DNA pairing and 
strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{RRM1,RRM2,RRM2B}

> <broad_moa>
{"ribonucleotide reductase inhibitor"}

> <synonyms>
{Hydroxycarbamide,127-07-1,127071,"127 07 1",N-Hydroxyurea,NHydroxyurea,"N Hydroxyurea",Hydrea,1-HYDROXYUREA,1HYDROXYUREA,"1 HYDROXYUREA",Oxyurea,"Carbamoyl oxime",Biosupressin,Hydroxycarbamine,"Urea,
 hydroxy-","Urea, hydroxy",Onco-carbide,Oncocarbide,"Onco carbide","Carbamohydroxamic acid","Carbamohydroximic acid","Carbamyl hydroxamate",Hydura,Litalir,T0676,32065,NSC32065,1500344,"NSC 32065
NSC 32065",Hydroxyurea,HYDROXYUREA}

> <pdid>
PD002298

> <targets>
{Apoptosis,Autophagy,DNA/RNA Synthesis,HIV}

> <classes>
{antineoplastic,inhibits ribonucleoside diphosphate reductase,Ribonucleoside diphosphate reductase inhibitor,Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{3657}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 S   0  0
   -1.2817   -2.2191    0.0000 O   0  0
   -3.9144   -2.2193    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 16  9  1  0
 16 17  2  0
 17  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11753

> <plate>
PLATE 011

> <well>
A3

> <supplier_cmpd_name>
Chlorothiazide

> <ctcr_id>
11053

> <supplier_cmpd_id>
T0677

> <smiles>
NS(=O)(=O)c1c(Cl)cc2NC=NS(=O)(=O)c2c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{chlorothiazide,58-94-6,58946,Diuril,Chlorothiazid,Chlorthiazide,Chlotride,Thiazide,Chlortiazid,Chlorosal,Chlorurit,Saluretil,Warduzide,Alurene,Clotride,Diuresal,Diurilix,Diurite,Diutrid,Salisan,Salun
il,Saluric,Yadalan,Flumen,Minzil,Urinex,Neo-Dem,NeoDem,T0677,Chlorothiazide}

> <pdid>

> <targets>
{"Carbonic anhydrase"}

> <classes>
{Metabolism}

> <pubchem_cids>
{2720}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 13  0  0  0  0            999 V2000
    7.6943   -1.8789    0.0000 Br  0  5
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  3
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  8  1  0
M  CHG  2   1  -1  12   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11754

> <plate>
PLATE 011

> <well>
A4

> <supplier_cmpd_name>
Mestinon

> <ctcr_id>
2588

> <supplier_cmpd_id>
T0780

> <smiles>
[Br-].CN(C)C(=O)Oc1ccc[n+](C)c1

> <pd_targets>
{BCHE,ACHE,TSHR,CHRM1,IMPA1,GLA,NFO,RORC,LMNA}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Transcription factor","Other nuclear protein",Hydrolase,"Family A G protein-coupled receptor","Nuclear receptor","Peptide receptor (family A GPCR)","Small molecule recepto
r (family A GPCR)","Nuclear hormone receptor subfamily 1","Glycohormone receptor","Monoamine receptor","Nuclear hormone receptor subfamily 1 group F","Acetylcholine receptor","Nuclear hormone receptor
 subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Acetylcholine turnover","G protein-coupled receptors","Inositol phosphate turnover","Nuclear hormone receptors","Glycoprotein hormone receptors","Acetylcholine receptors (muscarini
c)","Inositol monophosphatase","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Gene expression (Transcription)","Cell Cycle","Metabolism of lipids","Infectious disease","Signaling by GPCR","Inositol phosphate metabolism","RNA Polymerase
 II Transcription",Mitotic,"Phospholipid metabolism","Leishmania infection","GPCR ligand binding","Synthesis of IP2",IP,"and Ins in the cytosol","Sphingolipid metabolism","Generic Transcription Pathwa
y","M Phase","Glycerophospholipid biosynthesis","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Glycosphingolipid metabolism","Transcriptional regulation by RUNX3","M
itotic Metaphase and Anaphase","Synthesis of PC","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","RUNX3 Regulates Immune Response and Cell Migrati
on","Mitotic Anaphase","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformatio
n"}

> <broad_targets>
{ACHE,BCHE}

> <broad_moa>
{"cholinesterase inhibitor"}

> <synonyms>
{Kalimin,Kalymin,Mestinon,Regonal,"Mestinon bromide","Ro 1-5130","Ro 15130","3-(Dimethylcarbamyloxy)-1-methylpyridinium bromide","3(Dimethylcarbamyloxy)1methylpyridinium bromide","1-Methyl-3-hydroxypy
ridinium bromide dimethylcarbamate","1Methyl3hydroxypyridinium bromide dimethylcarbamate","3-Hydroxy-1-methylpyridinium bromide dimethylcarbamate","3Hydroxy1methylpyridinium bromide dimethylcarbamate"
,Dimethylca,S1608,SAM002564227,1503240,"Pyridostigmine Bromide",CPD000058605,"PYRIDOSTIGMINE BROMIDE"}

> <pdid>
PD010140

> <targets>
{Others}

> <classes>
{cholinergic,"Neuronal Signaling"}

> <pubchem_cids>
{91696191,7550}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 61 64  0  0  0  0            999 V2000
   -0.8087    1.9416    0.0000 C   0  0
    0.4914    1.1935    0.0000 C   0  0
    0.4945   -0.3074    0.0000 C   0  0
   -0.0186   -1.7169    0.0000 O   0  0
    0.9465   -2.8663    0.0000 C   0  0
    0.4335   -4.2758    0.0000 O   0  0
    2.4246   -2.6061    0.0000 C   0  0
    3.3897   -3.7555    0.0000 C   0  0
    2.8767   -5.1651    0.0000 O   0  0
    4.8678   -3.4954    0.0000 C   0  0
    5.3809   -2.0859    0.0000 C   0  0
    5.8329   -4.6448    0.0000 C   0  0
    4.5347   -5.3979    0.0000 O   0  0
    4.5368   -6.8987    0.0000 C   0  0
    5.8385   -7.6443    0.0000 O   0  0
    5.8437   -9.1443    0.0000 C   0  0
    7.1453   -9.8898    0.0000 C   0  0
    4.5472   -9.8988    0.0000 C   0  0
    4.5524  -11.3988    0.0000 O   0  0
    3.2456   -9.1533    0.0000 C   0  0
    3.2404   -7.6533    0.0000 C   0  0
    1.9388   -6.9078    0.0000 O   0  0
    1.9469   -9.9055    0.0000 N   0  0
    0.6463   -9.1581    0.0000 C   0  0
    1.9495  -11.4055    0.0000 C   0  0
    7.3110   -4.3847    0.0000 C   0  0
    8.2781   -5.5324    0.0000 C   0  0
    9.7558   -5.2697    0.0000 C   0  0
   10.7228   -6.4174    0.0000 N   0  0
   12.2001   -6.1570    0.0000 C   0  0
   13.1643   -7.3060    0.0000 C   0  0
   14.6415   -7.0455    0.0000 C   0  0
   12.6513   -8.7156    0.0000 C   0  0
   11.1741   -8.9761    0.0000 C   0  0
   10.6611  -10.3856    0.0000 C   0  0
   10.2099   -7.8270    0.0000 C   0  0
    7.8241   -2.9751    0.0000 C   0  0
    6.8590   -1.8257    0.0000 C   0  0
    5.3818   -2.0864    0.0000 C   0  0
    7.3720   -0.4162    0.0000 C   0  0
    8.8492   -0.1555    0.0000 O   0  0
    6.4069    0.7332    0.0000 C   0  0
    4.9288    0.4731    0.0000 C   0  0
    3.9637    1.6225    0.0000 C   0  0
    2.4856    1.3623    0.0000 C   0  0
    1.9726   -0.0472    0.0000 C   0  0
    1.4622   -1.4586    0.0000 C   0  0
   -0.0152   -1.7231    0.0000 O   0  0
   -0.9837   -0.5766    0.0000 C   0  0
   -0.9857    0.9234    0.0000 O   0  0
   -2.2857    1.6718    0.0000 C   0  0
   -2.2876    3.1718    0.0000 C   0  0
   -3.5837    0.9201    0.0000 C   0  0
   -4.8837    1.6684    0.0000 O   0  0
   -3.5818   -0.5799    0.0000 C   0  0
   -4.8791   -1.3346    0.0000 O   0  0
   -4.8750   -2.8346    0.0000 C   0  0
   -2.2818   -1.3282    0.0000 C   0  0
   -2.2769   -2.8291    0.0000 O   0  0
   -3.5729   -3.5842    0.0000 C   0  0
    4.4768    3.0320    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 14  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 12 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 29  1  0
 26 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  2  3
 43 44  1  0
 44 45  2  3
 45 46  1  0
 46  3  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 51 53  1  0
 53 54  1  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 55 58  1  0
 58 49  1  0
 58 59  1  0
 59 60  1  0
 44 61  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11755

> <plate>
PLATE 011

> <well>
A5

> <supplier_cmpd_name>
Tilmicosin

> <ctcr_id>
3130

> <supplier_cmpd_id>
T0777

> <smiles>
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(C2O)N(C)C)C(CCN3CC(C)CC(C)C3)CC(C)C(=O)C=CC(=CC1COC4OC(C)C(O)C(OC)C4OC)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"bacterial 50S ribosomal subunit inhibitor"}

> <synonyms>
{108050-54-0,LY-177370;EL-870,HMS3652E18,FT-0631047,A801800,S4122,Tilmicosin}

> <pdid>
PD013877

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{53394823}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 16  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  1  1  0
 14  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11756

> <plate>
PLATE 011

> <well>
A6

> <supplier_cmpd_name>
Phenothiazine

> <ctcr_id>
1922

> <supplier_cmpd_id>
T0776

> <smiles>
N1c2ccccc2Sc3ccccc13

> <pd_targets>
{RORC,BCHE,ACHE,ALOX12,SNCA,NOX1,MAPT,CNR1,ALOX15,LEF,POLB,KMT2A,MEN1,CYP3A4,GAA,PTGS1,PTGS2,CYP1A2,SLC6A3,ADORA3,HTR2C,ALOX5,SLC6A2,MAOA}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein","Other cytosolic protein","Membrane receptor","Epigenetic regulator",Transporter,"Nuclear receptor",Hydrolase,Isomerase,"Family A G protein-couple
d receptor",Oxidoreductase,Protease,Reader,"Cytochrome P450","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Metallo protease",Bromodoma
in,"Cytochrome P450 family 3","Cytochrome P450 family 1","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1 group F","Lipid-like ligand receptor (family A GPCR)","Metallo prote
ase MAE clan","Cytochrome P450 family 3A","Cytochrome P450 family 1A","SLC06 neurotransmitter transporter family","Nucleotide-like receptor (family A GPCR)","Monoamine receptor","Nuclear hormone recep
tor subfamily 1 group F member 3","Cannabinoid receptor","Metallo protease M34 family","Cytochrome P450 3A4","Cytochrome P450 1A1","Adenosine receptor","Serotonin receptor"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Acetylcholine turnover","Eicosanoid turnover","NADPH oxidases","G protein-coupled receptors","Cytochrome P450","3.2.1.- Glycosidases","SLC 
superfamily of solute carriers","Catecholamine turnover","1F. Retinoic acid-related orphans",Lipoxygenases,"Cannabinoid receptors","CYP3 family",Cyclooxygenase,"CYP1 family","SLC6 neurotransmitter tra
nsporter family","Adenosine receptors","5-Hydroxytryptamine receptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Metabolism of proteins",Disease,"Neuronal System","Signal Transduction","DNA Repair","RNA Polymerase II Transcription","Metabolism of lipids","Amyloid fi
ber formation","Infectious disease","Transmission across Chemical Synapses","Signaling by GPCR","Base Excision Repair","Diseases of metabolism","Biological oxidations","Disorders of transmembrane tran
sporters","Generic Transcription Pathway","Phospholipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Neurotransmitter receptors and postsynaptic sign
al transmission","GPCR downstream signalling","Uptake and actions of bacterial toxins","Resolution of Abasic Sites (AP sites)","Diseases of carbohydrate metabolism","Fatty acid metabolism","Phase I - 
Functionalization of compounds","SLC transporter disorders","GPCR ligand binding","Transcriptional regulation by RUNX3","Glycerophospholipid biosynthesis","Biosynthesis of DPA-derived SPMs","Killing m
echanisms","Activation of NMDA receptors and postsynaptic events","G alpha (i) signalling events","Uptake and function of anthrax toxins","Resolution of AP sites via the multiple-nucleotide patch repl
acement pathway","Biosynthesis of DHA-derived SPMs","Glycogen storage diseases","Arachidonic acid metabolism","Cytochrome P450 - arranged by substrate type","Defective SLC6A3 causes Parkinsonism-dysto
nia infantile (PKDYS)","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","Amine Oxidase reactions","RUNX3 Regulates Immune Response and Cell Migration","Syn
thesis of PC","Biosynthesis of DPAn-3 SPMs","WNT5:FZD7-mediated leishmania damping","Post NMDA receptor activation events","PCNA-Dependent Long Patch Base Excision Repair","Biosynthesis of maresins","
Glycogen storage disease type II (GAA)","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)",Xenobiotics,"Nucleotide-like (purinergic) receptors","Amine ligand-binding receptors","Biogenic amines 
are oxidatively deaminated to aldehydes by MAOA and MAOB","Biosynthesis of DPAn-3-derived maresins","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins",
"Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Adenosine P1 receptors","Serotonin receptors","Biosynthesis of DPAn-3-derived 13-series resolvin
s"}

> <broad_targets>
{}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{10H-Phenothiazine,10HPhenothiazine,92-84-2,92842,Thiodiphenylamine,"Dibenzo-1,4-thiazine","Dibenzo1,4thiazine",Feeno,Dibenzothiazine,Nemazine,Phenosan,Phenthiazine,Penthazine,Souframine,Agrazine,Anti
verm,Contaverm,Fenoverm,Fentiazin,Helmetina,Lethelmin,Nemazene,Nexarbol,P,T0776,SAM001246855,Phenothiazine,CPD000059045}

> <pdid>
PD000166

> <targets>
{Antibiotic,Bacterial,Fungal}

> <classes>
{Anti-infection}

> <pubchem_cids>
{7108}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  3
 11  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11757

> <plate>
PLATE 011

> <well>
A7

> <supplier_cmpd_name>
Coumarin

> <ctcr_id>
5157

> <supplier_cmpd_id>
T0775

> <smiles>
O=C1Oc2ccccc2C=C1

> <pd_targets>
{CA7,CA2,CA1,CA6,ACHE,CA14,MAOA,CA5B,CA4,LMNA,CA3,CA13,MAOB,CA5A,CA12,CA15,CA9}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Lyase,Hydrolase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases","Acetylcholine turnover","Catecholamine turnover"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Immune System","Cell Cycle","Cellular responses to external stimuli","Reversible hydration of carbon dioxide","O2/CO2 exchange in erythrocytes","Cytokine Si
gnaling in Immune system","Metabolism of lipids","Biological oxidations",Mitotic,"Cellular responses to stress","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins","Ph
ospholipid metabolism","Phase I - Functionalization of compounds","M Phase","Cellular response to hypoxia","Interleukin-12 family signaling","Glycerophospholipid biosynthesis","Amine Oxidase reactions
","Mitotic Metaphase and Anaphase","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 signaling","Synthesis of PC","Biogenic amines are oxidatively deaminated to aldehydes by 
MAOA and MAOB","Mitotic Anaphase","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformati
on"}

> <broad_targets>
{CA1,CA12,CA14,CA2,CA4,CA6,CA9,CYP2A6}

> <broad_moa>
{"vitamin K antagonist"}

> <synonyms>
{91-64-5,91645,2H-Chromen-2-one,2HChromen2one,2H-1-Benzopyran-2-one,2H1Benzopyran2one,cumarin,"1,2-Benzopyrone","1,2Benzopyrone",Rattex,chromen-2-one,chromen2one,"Coumarinic anhydride","Tonka bean cam
phor",Coumarine,Benzo-alpha-pyrone,Benzoalphapyrone,"cis-o-Coumarinic acid lactone","cisoCoumarinic acid lactone","o-Hydroxycinnamic acid lactone","oHydroxycinnamic acid lactone",o-Hy,oHy,T0775,140020
8,Coumarin,COUMARIN}

> <pdid>
PD002499

> <targets>
{}

> <classes>
{antihyperglycaemic,antineoplastic,antiinflammatory}

> <pubchem_cids>
{323}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    0.0000   -4.5008    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 S   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8154    4.6596    0.0000 C   0  0
   -6.3072    4.8166    0.0000 O   0  0
   -3.9339    5.8732    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -6.4462    1.8312    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  3  0
  9 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 16 20  2  0
 20 21  1  0
 20 22  1  0
 22 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11758

> <plate>
PLATE 011

> <well>
A8

> <supplier_cmpd_name>
Febuxostat

> <ctcr_id>
4167

> <supplier_cmpd_id>
T0773

> <smiles>
CC(C)COc1ccc(cc1C#N)c2sc(C(O)=O)c(C)n2

> <pd_targets>
{XDH,ABCC4,ABCB11}

> <pathway_gtopdb>
{Enzyme,Transporter,Oxidoreductase,"Primary active transporter","ATP-binding cassette","ABCC subfamily","ABCB subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"1.-.-.- Oxidoreductases","ATP-binding cassette transporter family","ABCC subfamily","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,Hemostasis,"Metabolism of nucleotides","Platelet activation","signaling and aggregation","Metabolism of lipids","Nucleobase catabolism","Response to elevated platelet cytosolic Ca2+","Meta
bolism of steroids","Purine catabolism","Platelet degranulation","Bile acid and bile salt metabolism","Synthesis of bile acids and bile salts","Synthesis of bile acids and bile salts via 7alpha-hydrox
ycholesterol"}

> <broad_targets>
{XDH}

> <broad_moa>
{"xanthine oxidase inhibitor"}

> <synonyms>
{"thyl-thiazole-5-carboxylic acid","thylthiazole5carboxylic acid",Febuxostat,144060-53-7,144060537,Adenuric,Uloric,"2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid","2(3cyano4isobutox
yphenyl)4methylthiazole5carboxylic acid","Tei 6720",Tei-6720,Tei6720,Feburic,"TMX 67",TMX-67,TMX67,Zurig,C16H16N2O3S,UNII-101V0R1N2E,UNII101V0R1N2E,"Febuxostat (Uloric)",2-(3-CYA,2(3CYA,T0773,S1547}

> <pdid>
PD009360

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{134018}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 52 56  0  0  1  0            999 V2000
   -3.9277   -9.7248    0.0000 C   0  0
   -3.9224   -8.2248    0.0000 C   0  0  2  0  0  0
   -2.6208   -7.4793    0.0000 O   0  0
   -2.6155   -5.9793    0.0000 C   0  0  1  0  0  0
   -1.3117   -5.2360    0.0000 O   0  0
   -0.0156   -5.9928    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
    1.2935   -3.7495    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 O   0  0
   -6.4971    0.7454    0.0000 C   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -9.0964    0.7413    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    6.4946    3.7544    0.0000 O   0  0
    7.7945    3.0042    0.0000 C   0  0
    9.0946    3.7540    0.0000 C   0  0
   10.3938    3.0042    0.0000 O   0  0
    3.8943    3.7525    0.0000 C   0  0
    3.8888    5.2533    0.0000 O   0  0
    2.5868    5.9998    0.0000 C   0  0
    2.5813    7.5006    0.0000 C   0  0
    1.2800    8.2467    0.0000 O   0  0
    2.5964    3.0004    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0  2  0  0  0
    5.1932   -3.0130    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0  1  0  0  0
    5.1828   -6.0130    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    2.5796   -7.5040    0.0000 O   0  0
   -3.9120   -5.2248    0.0000 C   0  0  2  0  0  0
   -3.9068   -3.7248    0.0000 O   0  0
   -5.2137   -5.9703    0.0000 C   0  0  2  0  0  0
   -6.5101   -5.2158    0.0000 O   0  0
   -5.2189   -7.4703    0.0000 C   0  0  1  0  0  0
   -6.5205   -8.2158    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  6
  5  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 16 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 14  1  0
 24 25  1  0
 25 11  1  0
 25 26  2  0
 12 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 30 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 35 40  2  0
 40 27  1  0
  9 41  1  0
 41 42  1  6
 41 43  1  0
 43 44  1  1
 43 45  1  0
 45  7  1  0
 45 46  1  6
  4 47  1  0
 47 48  1  1
 47 49  1  0
 49 50  1  1
 49 51  1  0
 51  2  1  0
 51 52  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11759

> <plate>
PLATE 011

> <well>
A9

> <supplier_cmpd_name>
Troxerutin

> <ctcr_id>
4705

> <supplier_cmpd_id>
T0772

> <smiles>
C[C@@H]1O[C@@H](OC[C@H]2OC(OC3=C(Oc4cc(OCCO)cc(O)c4C3=O)c5ccc(OCCO)c(OCCO)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{antioxidant}

> <synonyms>
{7085-55-4,7085554,Spectrum2_000529,Spectrum2000529,Spectrum2-000529,"Spectrum2 000529",Spectrum3_001080,Spectrum3001080,Spectrum3-001080,"Spectrum3 001080",Spectrum4_001233,Spectrum4001233,Spectrum4-
001233,"Spectrum4 001233",Spectrum5_000360,Spectrum5000360,Spectrum5-000360,"Spectrum5 000360",BSPBio_002700,BSPBio002700,BSPBio-002700,"BSPBio 002700",KBioGR_001726,KBioGR001726,KBioGR-001726,"KBioGR
 001726",SPECTRUM1505245,SPBio_000517,SPBio000517,SPBio-000517,"SPBio 000517",KBio3_001920,KBio3001920,KBio3-001920,"KBio3 001920",CHEBI:110198,HMS1922N19,Pharmakon1600-01505245,Pharmakon160001505245,
CCG-39601,CCG39601,NSC758937,NSC-758937,SBI-0207027.P001,SBI0207027.P001,A,1505245,TROXERUTIN}

> <pdid>
PD000549

> <targets>
{NOD-like Receptor (NLR)}

> <classes>
{vasoprotectant,Immunology/Inflammation}

> <pubchem_cids>
{6710736}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    6.4950    3.7465    0.0000 O   0  0
    5.1975    2.9939    0.0000 C   0  0
    5.1996    1.4930    0.0000 C   0  0  1  0  0  0
    3.9001    0.7439    0.0000 O   0  0
    3.8990   -0.7562    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 C   0  0
    0.0042   -5.9990    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1976   -1.5070    0.0000 C   0  0  2  0  0  0
    5.1967   -3.0070    0.0000 O   0  0
    6.4972   -0.7578    0.0000 C   0  0  1  0  0  0
    7.7957   -1.5087    0.0000 O   0  0
    6.4982    0.7422    0.0000 C   0  0  2  0  0  0
    7.7977    1.4913    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  8  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  2  0
 25  7  1  0
 25 17  1  0
  5 26  1  0
 26 27  1  1
 26 28  1  0
 28 29  1  6
 28 30  1  0
 30  3  1  0
 30 31  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11760

> <plate>
PLATE 011

> <well>
A10

> <supplier_cmpd_name>
Casanthranol

> <ctcr_id>
6422

> <supplier_cmpd_id>
T0771

> <smiles>
OC[C@H]1O[C@@H](OC2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24)[C@H](O)[C@@H](O)[C@@H]1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SR-05000002669,SR05000002669,Spectrum_000007,Spectrum000007,Spectrum-000007,"Spectrum 000007",Spectrum2_001937,Spectrum2001937,Spectrum2-001937,"Spectrum2 001937",Spectrum3_001595,Spectrum3001595,Spe
ctrum3-001595,"Spectrum3 001595",Spectrum4_001786,Spectrum4001786,Spectrum4-001786,"Spectrum4 001786",Spectrum5_000431,Spectrum5000431,Spectrum5-000431,"Spectrum5 000431",BSPBio_003190,BSPBio003190,BS
PBio-003190,"BSPBio 003190",KBioGR_002333,KBioGR002333,KBioGR-002333,"KBioGR 002333",KBioSS_000347,KBioSS000347,KBioSS-000347,"KBioSS 000347",DivK1c_000270,DivK1c000270,DivK1c-000270,"DivK1c 000270",S
PECTRUM1503427,SPBio_001973,SPBio001973,SPBio-001973,"SPBio 001973",HMS500N12,KBio1_000270,KBio1000270,KBio1-000270,"KBio1 000270",KBio2_000347,KBio2000347,KBio2-000347,"KBio2 000347",KBio2_002915,KBi
o2002915,KBio2-002915,"KBio2 002915",KBio2_005483,KBio2005483,KBio2-005483,"KBio2 005483",KBi,T0771,1503427,Casanthranol,ALOIN}

> <pdid>
PD055494

> <targets>
{}

> <classes>
{laxative,cathartic}

> <pubchem_cids>
{3010922}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    9.0983   -0.7368    0.0000 C   0  0
    7.8003   -1.4887    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4964    0.7591    0.0000 O   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  3
    0.0000    3.0000    0.0000 O   0  5
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  3
    0.0000   -3.0000    0.0000 O   0  5
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  1  0
 17 18  2  0
 18  8  1  0
 18 19  1  0
M  CHG  4  10   1  11  -1  18   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11761

> <plate>
PLATE 011

> <well>
A11

> <supplier_cmpd_name>
Carbadox

> <ctcr_id>
3654

> <supplier_cmpd_id>
T0770

> <smiles>
COC(=O)N/N=C/c1c[n+]([O-])c2ccccc2[n+]1[O-]

> <pd_targets>
{SKA,LMNA}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Kinase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"other antibiotic"}

> <synonyms>
{"RESTW 112",CARBADOX,6804-07-5,6804075,"6804 07 5",MLS001333201,MFCD00057293,SMR000857182,"(E)-2-((2-(methoxycarbonyl)hydrazono)methyl)quinoxaline 1,4-dioxide","(E)2((2(methoxycarbonyl)hydrazono)meth
yl)quinoxaline 1,4dioxide","(E) 2 ((2 (methoxycarbonyl)hydrazono)methyl)quinoxaline 1,4 dioxide",DSSTox_CID_23913,DSSToxCID23913,DSSTox-CID-23913,"DSSTox CID 23913",DSSTox_RID_80088,DSSToxRID80088,DSS
Tox-RID-80088,"DSSTox RID 80088",DSSTox_GSID_43913,DSSToxGSID43913,DSSTox-GSID-43913,"DSSTox GSID 43913",CAS-6804-07-5,CAS6804075,"CAS 6804 07 5",SR-05000001715,SR05000001715,"SR 05000001715",N-((1E)-
2-(1,N((1E)2(1,"N ((1E) 2 (1",4-dihydroxyquinoxali,4dihydroxyquinoxali,"4 dihydroxyquinoxali",T0770,1505294,Prestw-1121,Carbadox}

> <pdid>
PD000521

> <targets>
{Antibiotic,Bacterial}

> <classes>
{antibacterial,Anti-infection}

> <pubchem_cids>
{135511839}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 31  0  0  0  0            999 V2000
    4.2442   -9.8355    0.0000 C   0  0
    3.6391   -8.4629    0.0000 C   0  0
    4.5250   -7.2514    0.0000 N   0  0
    6.0174   -7.4102    0.0000 C   0  0
    6.9014   -6.1984    0.0000 C   0  0
    3.9195   -5.8781    0.0000 C   0  0
    4.8054   -4.6666    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 O   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.7018   -3.4269    0.0000 O   0  0
   10.7018   -4.9269    0.0000 C   0  0
    9.4026   -5.6765    0.0000 O   0  0
   12.0018   -5.6769    0.0000 C   0  0
   13.3018   -4.9269    0.0000 C   0  0
   14.6004   -5.6778    0.0000 O   0  0
   13.3033   -3.4261    0.0000 C   0  0
   14.6032   -2.6761    0.0000 C   0  0
   15.9018   -3.4269    0.0000 O   0  0
   14.6047   -1.1761    0.0000 O   0  0
   13.3030   -6.4569    0.0000 C   0  0
   12.0043   -7.2075    0.0000 O   0  0
   14.6022   -7.2067    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 23 29  1  0
 29 30  1  0
 29 31  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11762

> <plate>
PLATE 011

> <well>
B2

> <supplier_cmpd_name>
Oxolamine citrate

> <ctcr_id>
2775

> <supplier_cmpd_id>
T0768

> <smiles>
CCN(CC)CCc1onc(n1)c2ccccc2.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Oxolamine dihydrogen citrate","SKF 9976","EINECS 217-760-6","EINECS 2177606","5-beta-Diethylaminoethyl-3-phenyl-1,2,4-oxadiazole citrate","5betaDiethylaminoethyl3phenyl1,2,4oxadiazole citrate","3-Ph
enyl-5-(beta-(diethylamino)ethyl)-1,2,4-oxadiazole citrate","3Phenyl5(beta(diethylamino)ethyl)1,2,4oxadiazole citrate",AKOS026749941,"Oxolamine citrate",1949-20-8,1949208,T0768,Prestw-826,"Oxalamine c
itrate salt"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16045,264891}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  5 14  1  0
 14 15  2  0
 15  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11763

> <plate>
PLATE 011

> <well>
B3

> <supplier_cmpd_name>
Monobenzone

> <ctcr_id>
4368

> <supplier_cmpd_id>
T0759

> <smiles>
Oc1ccc(OCc2ccccc2)cc1

> <pd_targets>
{FTL,LMNA,CYP2C19,HIF1A,ALOX15,CYP1A2,PTGS2,SLC6A2,PTGS1,TYR}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein",Enzyme,"Transcription factor",Transporter,"Cytochrome P450",Oxidoreductase,"Electrochemical transporter","Cytochrome P450 family 2","Cytochrome P450 fam
ily 1","SLC superfamily of solute carriers","Cytochrome P450 family 2C","Cytochrome P450 family 1A","SLC06 neurotransmitter transporter family","Cytochrome P450 2C19","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Transporters,"Cytochrome P450","Eicosanoid turnover","SLC superfamily of solute carriers","1.-.-.- Oxidoreductases","CYP2 family: drug metabolising subset",Lipoxygenases,"CYP1 family",Cycloox
ygenase,"SLC6 neurotransmitter transporter family","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Vesicle-mediated transport","Cell Cycle",Metabolism,"Cellular responses to external stimuli",Disease,"Membrane Trafficking",Mitotic,"Biological oxidations","Cellular responses to stress","Metabolism
 of lipids","Disorders of transmembrane transporters","Metabolism of amino acids and derivatives","trans-Golgi Network Vesicle Budding","M Phase","Phase I - Functionalization of compounds","Cellular r
esponse to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","SLC transporter disorders","Fatty acid metabolism","Melanin biosynthesis","Golgi Associated Vesicle Biogenesis","Mitoti
c Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DPA-derived SPMs","Defective SLC6A2
 causes orthostatic intolerance (OI)","Arachidonic acid metabolism","Mitotic Anaphase",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Nuclear Envel
ope (NE) Reassembly","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE
) Reformation"}

> <broad_targets>
{TYR}

> <broad_moa>
{"melanin inhibitor"}

> <synonyms>
{RESTW91,Monobenzone,4-Benzyloxyphenol,4Benzyloxyphenol,103-16-2,103162,4-(Benzyloxy)phenol,4(Benzyloxy)phenol,"Hydroquinone monobenzyl ether",Benoquin,Benzoquin,"Monobenzyl hydroquinone",Leucodinine,
Monobenzon,Superlite,"Agerite alba","Hydroquinone benzyl ether",P-(BENZYLOXY)PHENOL,P(BENZYLOXY)PHENOL,Dermochinona,T0759,1503031,Prestw-912,MONOBENZONE}

> <pdid>
PD001105

> <targets>
{Others}

> <classes>
{depigmentor,Others}

> <pubchem_cids>
{7638}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 S   0  0
   -1.3164   -2.2191    0.0000 O   0  0
    1.3163   -2.2193    0.0000 O   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
 12 14  2  0
  3 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11764

> <plate>
PLATE 011

> <well>
B4

> <supplier_cmpd_name>
Piroxicam

> <ctcr_id>
1560

> <supplier_cmpd_id>
T0758

> <smiles>
CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3ccccn3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{piroxicam,36322-90-4,36322904,Feldene,Piroxicamum,Pyroxycam,Roxicam,Piroftal,BAXO,CP-16171,CP16171,"CP 16171","CHF 1251",UNII-13T4O6VMAM,UNII13T4O6VMAM,"NSC 666076","Piroxicam (Feldene)",13T4O6VMAM,M
LS000069644,CHEBI:8249,MFCD00057317,NSC666076,NSC-666076,NCGC00015823-02,NCGC0001582302,Artro,T0758,1500491,Prestw-211,Piroxicam,PIROXICAM}

> <pdid>
PD001795

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{54676228}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 S   0  0
   -5.8570    1.2946    0.0000 O   0  0
   -5.8532   -1.3040    0.0000 C   0  0
   -7.3541   -1.3071    0.0000 C   0  0
   -8.1042   -0.0081    0.0000 N   0  0
   -9.6042   -0.0082    0.0000 C   0  0
  -10.3542   -1.3072    0.0000 C   0  0
  -11.8542   -1.3073    0.0000 C   0  0
   -9.6041   -2.6062    0.0000 C   0  0
  -10.3518   -3.9076    0.0000 O   0  0
   -9.5998   -5.2055    0.0000 C   0  0
   -8.1041   -2.6062    0.0000 C   0  0
   -7.3541   -3.9052    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
 10 11  2  0
 11  3  1  0
  8 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 15  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11765

> <plate>
PLATE 011

> <well>
B5

> <supplier_cmpd_name>
Omeprazole

> <ctcr_id>
1111

> <supplier_cmpd_id>
T0757

> <smiles>
COc1ccc2nc([nH]c2c1)[S](=O)Cc3ncc(C)c(OC)c3C

> <pd_targets>
{FASN,CYP2C9,HPGD,DDAH1,CYP3A4,KDM4E,ALDH1A1,FFP,ALD,RORC,CYP1A2,ATP4A,ATP4B,HSD17B10,HTT,MCL1,ABCB1,CYP2C19,MAPT,PKM,ABCB11,GSTO1,ATP1A1,ATP1A2,ATP1A3,ATP1A4,ATP1B1,ATP1B2,ATP1B3,FXYD2,KMT2A,MEN1,ENG
ASE,BRS3,CLCN2,AHR}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor",Transporter,"Unclassified protein","Other cytosolic protein","Membrane receptor","Ion channel",Transferase,"Cytochrome P450",Hydrolase,Eraser,Oxid
oreductase,"Nuclear receptor","Primary active transporter",Reader,"Family A G protein-coupled receptor","Other ion channel","Cytochrome P450 family 2","Cytochrome P450 family 3","Lysine demethylase","
Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","P-type ATPase","ATP-binding cassette",Bromodomain,"Peptide receptor (family A GPCR)","Chloride channel","Cytochrome P450 family 2C","C
ytochrome P450 family 3A","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 1A","Hydrogen potassium ATPase","ABCB subfamily","Sodium potassium ATPase",
"Short peptide receptor (family A GPCR)","ClC chloride channel","Cytochrome P450 2C9","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1","Cytochrome P4
50 2C19","GRP-related receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Ion channels","2.3.1.-  Acyltransferases","Cytochrome P450","Eicosanoid turnover","L-Arginine turnover","Chromatin modifying enzymes","Nuclear 
hormone receptors","B-cell lymphoma 2 (Bcl-2) protein family","ATP-binding cassette transporter family","2.7.1.40 Pyruvate kinases","2.5.1.18 Glutathione transferases","G protein-coupled receptors","P
-type ATPases","Other ion channels","Aryl hydrocarbon receptor","CYP2 family: drug metabolising subset","Prostaglandin synthases","Dimethylarginine dimethylaminohydrolases","CYP3 family","1.14.11.- Hi
stone demethylases","1F. Retinoic acid-related orphans","CYP1 family","ABCB subfamily","Orphan and other 7TM receptors","P2C P-type ATPases","Chloride channels","Class A Orphans",H<sup>+</sup>/K<sup>+
</sup>-ATPases,"ClC family"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Immune System","Neuronal System","Metabolism of proteins","Signal Transduction","Transport of small molecules","Metabolism of lipids","Biological oxidati
ons","Metabolism of nitric oxide: NOS3 activation and regulation","RNA Polymerase II Transcription","Metabolism of amino acids and derivatives","Cytokine Signaling in Immune system","Abacavir transpor
t and metabolism","Transmission across Chemical Synapses","Metabolism of carbohydrates","Post-translational protein modification","Signaling by GPCR","Ion channel transport","Metabolism of steroids","
Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","eNOS activation","Generic Transcription Pathway","Branched-chain amino acid catabolism","Signalin
g by Interleukins","Abacavir transmembrane transport","Neurotransmitter receptors and postsynaptic signal transmission","Glucose metabolism","Asparagine N-linked glycosylation","GPCR ligand binding","
Ion transport by P-type ATPases","Stimuli-sensing channels","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs",
"Ethanol oxidation","Transcriptional regulation by RUNX3","Transcriptional Regulation by MECP2","Interleukin-4 and Interleukin-13 signaling","Activation of NMDA receptors and postsynaptic events",Glyc
olysis,"Bile acid and bile salt metabolism","Interleukin-12 family signaling","N-glycan trimming in the ER and Calnexin/Calreticulin cycle","Class A/1 (Rhodopsin-like receptors)","Activation of gene e
xpression by SREBF (SREBP)",Xenobiotics,"Biosynthesis of D-series resolvins","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","Regulation of MECP2 expression and activit
y","Post NMDA receptor activation events","Synthesis of bile acids and bile salts","Interleukin-12 signaling","Peptide ligand-binding receptors","Endogenous sterols","CYP2E1 reactions","Biosynthesis o
f maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"
,"Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation"}

> <broad_targets>
{ATP4A,CLCN2}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{SR-01000003003,SR01000003003,Omperazole,omeprazole,73590-58-6,73590586,Prilosec,Losec,Antra,Esomeprazole,Omeprazon,Audazol,Omapren,Omepral,Parizac,Zegerid,Mopral,Miol,Belmazol,Ceprandal,Dizprazol,Dud
encer,Emeproton,Epirazole,Gastrimut,Gastroloc,Gibancer,Indurgan,Inhi,SAM001246900,1505693,Prestw-493,CPD000058847,OMEPRAZOLE,Omeprazole}

> <pdid>
PD000331

> <targets>
{}

> <classes>
{"gastric acid depressant"}

> <pubchem_cids>
{4594}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 12  0  0  1  0            999 V2000
    5.2030   -1.5008    0.0000 C   0  0
    6.5032   -2.2490    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0  2  0  0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    6.5000    0.7500    0.0000 N   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0992    0.7496    0.0000 O   0  0
    7.7999   -1.5000    0.0000 N   0  0
    3.9053   -2.2531    0.0000 O   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  6
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  3  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11766

> <plate>
PLATE 011

> <well>
B6

> <supplier_cmpd_name>
Carbaglu

> <ctcr_id>
11055

> <supplier_cmpd_id>
T0755

> <smiles>
C(=O)([C@H](CCC(=O)O)NC(=O)N)O

> <pd_targets>
{CPS1}

> <pathway_gtopdb>
{Enzyme,Ligase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of amino acids and derivatives","Urea cycle"}

> <broad_targets>
{CPS1}

> <broad_moa>
{"carbamoyl phosphate synthase activator"}

> <synonyms>
{"Carglumic acid",1188-38-1,1188381,"(S)-2-ureidopentanedioic acid","(S)2ureidopentanedioic acid","N-Carbamyl-L-glutamic acid","NCarbamylLglutamic acid",Carbaglu,N-Carbamylglutamate,NCarbamylglutamate
,"N-Carbamoyl-L-glutamic acid","NCarbamoylLglutamic acid","Carbamylglutamic acid","Ureidoglutaric acid","Carbamino-L-glutamic acid","CarbaminoLglutamic acid",N-Carbamyl-L-glutamate,NCarbamylLglutamate
,(,T0755}

> <pdid>
PD000184

> <targets>
{"Carbamoyl-phosphate synthase"}

> <classes>
{Others}

> <pubchem_cids>
{121396}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    6.1212   -6.9101    0.0000 C   0  0
    5.5083   -5.5410    0.0000 C   0  0
    4.0404   -5.2322    0.0000 S   0  0
    3.8995   -3.7516    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    3.8982   -2.2498    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2496   -3.1278    0.0000 N   0  0
    6.2556   -4.2405    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
  4 16  2  0
 16 17  1  0
 17  2  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11767

> <plate>
PLATE 011

> <well>
B7

> <supplier_cmpd_name>
Sulfamethizole

> <ctcr_id>
633

> <supplier_cmpd_id>
T0754

> <smiles>
Cc1sc(N[S](=O)(=O)c2ccc(N)cc2)nn1

> <pd_targets>
{LMNA,ALDH1A1,RECD,LEF,AMPC,FOLP}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,Oxidoreductase,Protease,Hydrolase,Transferase,"Metallo protease","Metallo protease MAE clan","Metallo protease M34 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,Mitotic,"Biological oxidations","Infectious disease","M Phase","Phase I - Functionalization of compounds","Uptake and actions of bacterial toxins","Mitotic Metaphase a
nd Anaphase","Ethanol oxidation","Uptake and function of anthrax toxins","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{RESTW74,sulfamethizole,144-82-1,144821,Sulfamethizol,Rufol,Sulphamethizole,Sulfamethylthiadiazole,Proklar,Sulfamethizolum,Sulfametizol,"4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide","
4AminoN(5methyl1,3,4thiadiazol2yl)benzenesulfonamide",Benzenesulfonamide,4-amino-N-(5-methyl-1,4aminoN(5methyl1,3,4-thiadiazol-2-y,4thiadiazol2y,T0754,1500549,Prestw-742,Sulfamethizole,SULFAMETHIZOLE}

> <pdid>
PD001747

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5328}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    3.1202   -2.0921    0.0000 O   0  5
    1.6281   -2.2462    0.0000 N   0  3
    1.0161   -3.6157    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -0.0031    2.7742    0.0000 C   0  0
   -1.3040    3.5228    0.0000 N   0  0
   -1.3071    5.0236    0.0000 N   0  0
   -0.0936    5.8834    0.0000 C   0  0
   -0.5571    7.3100    0.0000 C   0  0
   -2.0571    7.3100    0.0000 O   0  0
   -2.5206    5.8834    0.0000 C   0  0
   -3.9444    5.4113    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  4  2  0
  6  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11768

> <plate>
PLATE 011

> <well>
B8

> <supplier_cmpd_name>
Furazolidone

> <ctcr_id>
3514

> <supplier_cmpd_id>
T0751

> <smiles>
[O-][N+](=O)c1oc(cc1)C=NN2CCOC2=O

> <pd_targets>
{LMNA,MAPT,TP53,ATM,FFP,ALDH1A1,ALOX15,RORC}

> <pathway_gtopdb>
{"Other nuclear protein","Other cytosolic protein","Transcription factor",Enzyme,Kinase,Transferase,Oxidoreductase,"Nuclear receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","Atypical 
protein kinase group","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Eicosanoid turnover","Nuclear hormone receptors",Atypical,Lipoxygenases,"1F. Retinoic acid-related orphans","Phosphatidyl inositol 3' kinase-related kinases 
(PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System",Metabolism,"Gene expression (Transcription)",Mitotic,"Transmission across Chemical Synapses","Cell Cycle Checkpoints","Biological oxidations","Metabolism of lipids","RN
A Polymerase II Transcription","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Phase I - Functionalization of compounds","Biosynthesis of spe
cialized proresolving mediators (SPMs)","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","p53-Dependent G1/S DNA damage checkpoin
t","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","Transcriptional regulation by RUNX3","Mitotic Anaphase","Post NMDA receptor activation events","p53-Dependent G1 DNA Damage Response","Biosyn
thesis of DPAn-3 SPMs","RUNX3 Regulates Immune Response and Cell Migration","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Stabilization of p53","Biosynthesis of DPAn-3-
derived protectins and resolvins","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA inhibitor"}

> <synonyms>
{furazolidone,67-45-8,67458,"2-Oxazolidinone, 3-(((5-nitro-2-furanyl)methylene)amino)-","2Oxazolidinone, 3(((5nitro2furanyl)methylene)amino)",Furazolidona,Furazolidonum,Furazolidone-d4,Furazolidoned4,
"NF 180 custom mix ten",UNII-5J9CPU3RE0,UNII5J9CPU3RE0,5J9CPU3RE0,CHEBI:5195,Nifurazolidonum,Furazolum,Prestwick_1067,Prestwick1067,Prestwick-1067,"Prestwick 1067",Spectrum_001098,Spectrum001098,Spect
rum-001098,"Spectrum 001098",Prestw-808,Furazolidone}

> <pdid>
PD002325

> <targets>
{Antibiotic,Apoptosis,Bacterial}

> <classes>
{Anti-infection,Apoptosis}

> <pubchem_cids>
{3435}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    6.1212   -6.9101    0.0000 C   0  0
    5.5083   -5.5411    0.0000 C   0  0
    6.2556   -4.2405    0.0000 N   0  0
    5.2496   -3.1278    0.0000 O   0  0
    3.8995   -3.7516    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    3.8982   -2.2498    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.0404   -5.2322    0.0000 C   0  0
    2.9218   -6.2315    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  5 17  2  0
 17  2  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11769

> <plate>
PLATE 011

> <well>
B9

> <supplier_cmpd_name>
Sulfisoxazole

> <ctcr_id>
4568

> <supplier_cmpd_id>
T0750

> <smiles>
Cc1noc(N[S](=O)(=O)c2ccc(N)cc2)c1C

> <pd_targets>
{KMT2A,MEN1,TSHR,EDNRA,CYP2C19,EDNRB,FOLP}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor",Enzyme,Reader,"Family A G protein-coupled receptor","Cytochrome P450",Transferase,Bromodomain,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2",
"Glycohormone receptor","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2C","Endothelin receptor","Cytochrome P450 2C19"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Glycoprotein hormone receptors","Endothelin receptors","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Disease,"Signal Transduction",Metabolism,"Infectious disease","Signaling by GPCR","Biological oxidations","Leishmania infection","GPCR ligand binding","Phase I - Functionalization of compounds","Leis
hmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Anti-inflammatory response favouring Leishmania parasite infection","Peptide
 ligand-binding receptors",Xenobiotics,"ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{NSC-38588,NSC38588,NSC757343,sulfisoxazole,Sulfafurazole,127-69-5,127695,Sulphafurazole,Sulfisoxazol,Sulfafurazol,Sulfaisoxazole,Sulfofurazole,Sulfisoxasole,Sulphaisoxazole,Gantrisin,Sulfadimethyliso
xazole,Alphazole,Amidoxal,Sulfalar,Sulfoxol,Sulfisoxazole,T0750,SAM002554929,1500555,Prestw-334,CPD000037657,SULFISOXAZOLE}

> <pdid>
PD001741

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5344}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5109    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -4.0404    5.2322    0.0000 S   0  0
   -5.5083    5.5410    0.0000 C   0  0
   -6.2556    4.2405    0.0000 C   0  0
   -5.2496    3.1278    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  2  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 19  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11770

> <plate>
PLATE 011

> <well>
B10

> <supplier_cmpd_name>
Succinylsulfathiazole

> <ctcr_id>
3843

> <supplier_cmpd_id>
T0749

> <smiles>
OC(=O)CCC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2

> <pd_targets>
{LMNA,TSHR}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Glycohormone receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Cell Cycle",Disease,Mitotic,"Infectious disease","M Phase","Leishmania infection","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Mitotic Anaphase","Anti-inflammatory res
ponse favouring Leishmania parasite infection","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{DHFR}

> <broad_moa>
{"dihydrofolate reductase inhibitor"}

> <synonyms>
{succinylsulfathiazole,116-43-8,116438,Cremosuxidine,Sulfasuxidine,Colistatin,Succinylsulphathiazole,Sulfasuccidine,Sulfasuccinil,Sulfadigesin,Sulfasuccithiazole,Sulfasuccidin,Sulfenterone,Kaoxidin,Ka
oxidine,4'-(2-Thiazolylsulfamoyl)succina,4'(2Thiazolylsulfamoyl)succina,T0749,1502025,Prestw-702,Succinylsulfathiazole,SUCCINYLSULFATHIAZOLE}

> <pdid>
PD001424

> <targets>
{Antibiotic,Bacterial}

> <classes>
{antibacterial,Anti-infection}

> <pubchem_cids>
{5315}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 S   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -2.5988   -0.0025    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4978    0.7405    0.0000 C   0  0
   -7.7984    1.4878    0.0000 C   0  0
   -7.8015    2.9878    0.0000 C   0  0
   -9.1021    3.7352    0.0000 N   0  0
   -6.5040    3.7405    0.0000 C   0  0
   -5.2034    2.9932    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
  6 18  1  0
 18 19  2  0
 19  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11771

> <plate>
PLATE 011

> <well>
B11

> <supplier_cmpd_name>
Sulfameter

> <ctcr_id>
2140

> <supplier_cmpd_id>
T0748

> <smiles>
COc1cnc(N[S](=O)(=O)c2ccc(N)cc2)nc1

> <pd_targets>
{LMNA,AMPC,FOLP}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,Hydrolase,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{DHFR}

> <broad_moa>
{"dihydrofolate reductase inhibitor"}

> <synonyms>
{sulfameter,651-06-9,651069,5-Methoxysulfadiazine,5Methoxysulfadiazine,Sulfametoxydiazine,Sulfamethoxydiazine,Sulfamethoxine,Sulfametin,4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide,4aminoN(5m
ethoxypyrimidin2yl)benzenesulfonamide,Sulphamethoxydiazine,Sulfamethoxypyrimidine,Sulfametorine,Sulphameter,Sulla,Methoxy,T0748,1501155,Prestw-769,Sulfameter,SULFAMETER}

> <pdid>
PD001488

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5326}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -4.0404    5.2322    0.0000 S   0  0
   -5.5083    5.5410    0.0000 C   0  0
   -6.2556    4.2405    0.0000 C   0  0
   -5.2496    3.1278    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11772

> <plate>
PLATE 011

> <well>
C2

> <supplier_cmpd_name>
Sulfathiazole

> <ctcr_id>
4549

> <supplier_cmpd_id>
T0747

> <smiles>
Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2

> <pd_targets>
{KDM4E,ALDH1A1,LASR,RECD,FOLP,LMNA,EDNRA,PRMT6}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor","Other nuclear protein","Membrane receptor",Eraser,Oxidoreductase,Transferase,"Family A G protein-coupled receptor",Writer,"Lysine demethylase","P
eptide receptor (family A GPCR)","Protein methyltransferase","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Protein arginine methyltransferase","Endothelin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","G protein-coupled receptors","L-Arginine turnover","1.14.11.- Histone demethylases","Endothelin receptors","2.1.1.- Protein arginine N-methyltransfera
ses"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Signal Transduction","Gene expression (Transcription)","Biological oxidations",Mitotic,"Signaling by GPCR","RNA Polymerase II Transcription","Phase I - Functionalization of c
ompounds","M Phase","GPCR ligand binding","Generic Transcription Pathway","Ethanol oxidation","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUN
X1","Mitotic Anaphase","Peptide ligand-binding receptors","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Nuclear Envelope (NE) Reassembly","Initiation of Nucl
ear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"dihydropteroate synthase inhibitor"}

> <synonyms>
{sulfathiazole,72-14-0,72140,Sulphathiazole,Sulfathiazol,2-Sulfanilamidothiazole,2Sulfanilamidothiazole,Sulfanilamidothiazole,Thiazamide,Norsulfasol,Norsulfazole,2-Sulfonamidothiazole,2Sulfonamidothia
zole,4-Amino-N-(thiazol-2-yl)benzenesulfonamide,4AminoN(thiazol2yl)benzenesulfonamide,2-(Sulfanilylamino)thiazole,2(Sulfanilylamino)thiazole,Neostrepsan,Sulf,T0747,1500553,Prestw-16,Sulfathiazole,SULF
ATHIAZOLE}

> <pdid>
PD001743

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5340}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11773

> <plate>
PLATE 011

> <well>
C3

> <supplier_cmpd_name>
Orotic acid

> <ctcr_id>
27

> <supplier_cmpd_id>
T0746

> <smiles>
OC(=O)C1=CC(=O)NC(=O)N1

> <pd_targets>
{ALDH1A1,FFP,LMNA,PYRC}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Oxidoreductase,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Biological oxidations",Mitotic,"Phase I - Functionalization of compounds","M Phase","Ethanol oxidation","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope 
(NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{DHODH}

> <broad_moa>
{}

> <synonyms>
{CARBOXYURACI,"Orotic acid",65-86-1,65861,6-Carboxyuracil,6Carboxyuracil,Orodin,Oropur,Orotonin,Orotonsan,"Vitamin B13",Oroturic,Orotyl,"Whey factor","2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxyl
ic acid","2,6dioxo1,2,3,6tetrahydropyrimidine4carboxylic acid","Uracil-6-carboxylic acid","Uracil6carboxylic acid","6-Uracilcarboxylic acid","6Uracilcarboxylic acid","Animal gala",T5078,T0746,S2336,"O
rotic Acid Monohydrate","Orotic acid (6-Carboxyuracil)"}

> <pdid>
PD001471

> <targets>
{Others,Endogenous Metabolite,Nucleoside Antimetabolite/Analog}

> <classes>
{Others,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease}

> <pubchem_cids>
{967}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 24  0  0  0  0            999 V2000
   33.5998    1.1254    0.0000 Zn  0  2
    1.3000    2.2500    0.0000 O   0  5
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2992    0.7496    0.0000 C   0  0
   18.0999    2.2500    0.0000 O   0  5
   18.0999    0.7500    0.0000 C   0  0
   16.8006    0.0004    0.0000 O   0  0
   19.3999    0.0000    0.0000 C   0  0
   20.6999    0.7500    0.0000 C   0  0
   21.9998    0.0000    0.0000 C   0  0
   23.2998    0.7500    0.0000 C   0  0
   24.5998    0.0000    0.0000 C   0  0
   25.8998    0.7500    0.0000 C   0  0
   27.1998    0.0000    0.0000 C   0  0
   28.4998    0.7500    0.0000 C   0  0
   29.7998    0.0000    0.0000 C   0  0
   31.0991    0.7496    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
M  CHG  3   1   2   2  -1  15  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11774

> <plate>
PLATE 011

> <well>
C4

> <supplier_cmpd_name>
Zinc undecylenate

> <ctcr_id>
11056

> <supplier_cmpd_id>
T0744

> <smiles>
[Zn+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ZINC UNDECYLENATE",557-08-4,557084,zinc;undec-10-enoate,zinc;undec10enoate,"10-Undecenoic acid zinc salt","10Undecenoic acid zinc salt",UNII-388VZ25DUR,UNII388VZ25DUR,"10-Undecenoic acid, zinc salt"
,"10Undecenoic acid, zinc salt","10-Undecenoic acid (zinc salt)","10Undecenoic acid (zinc salt)","10-Undecenoic Acid Zinc","10Undecenoic Acid Zinc","10-Undecenoic acid, zinc salt (2:1)","10Undecenoic 
acid, zinc salt (2:1)",388VZ25DU,T0744,"Zinc undecylenate"}

> <pdid>
PD000388

> <targets>
{Antibiotic,Fungal}

> <classes>
{Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{11179}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 10  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    1.3000    2.2500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0  2  0  0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  5
    7.7992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
M  CHG  2   2   1  10  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11775

> <plate>
PLATE 011

> <well>
C5

> <supplier_cmpd_name>
DL-Carnitine

> <ctcr_id>
5814

> <supplier_cmpd_id>
T0743

> <smiles>
C[N+](C)(C)C[C@H](O)CC([O-])=O

> <pd_targets>
{AMPC,CPT2,CPT1B,CPT1A,SLC22A16}

> <pathway_gtopdb>
{Enzyme,Hydrolase,Transferase,Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters","Organic zwitterions/cation transporters (OCTN)"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Carnitine metabolism","Transport of small molecules","SLC-mediated transmembrane transport","Transport of bile salts and organic acids","met
al ions and amine compounds","Organic cation/anion/zwitterion transport","Organic cation transport"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{L-carnitine,Lcarnitine,Levocarnitine,541-15-1,541151,"vitamin BT",(R)-Carnitine,(R)Carnitine,Carnitor,(-)-Carnitine,()Carnitine,(-)-L-Carnitine,()LCarnitine,Karnitin,L-(-)-Carnitine,L()Carnitine,Carn
itene,bicarnesine,Levocarnitina,Metina,"L-Carnitine inner salt","LCarnitine inner salt",Levocarnitinum,Carniking,Carnilean,Carnitine,T0846,T0743,1505437,L(-)-Carnitine,DL-Carnitine,LEVOCARNITINE}

> <pdid>
PD000410

> <targets>
{}

> <classes>
{"cofactor for fatty acid metabolism","replenisher in arterial disease"}

> <pubchem_cids>
{10917}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 S   0  0
   -1.2948   -3.7517    0.0000 O   0  0
   -1.2973   -2.2519    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8902   -5.2570    0.0000 C   0  0
   -5.1877   -6.0097    0.0000 C   0  0
   -6.4883   -5.2624    0.0000 C   0  0
   -7.7858   -6.0150    0.0000 N   0  0
   -6.4914   -3.7624    0.0000 C   0  0
   -5.1939   -3.0097    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
  7 19  2  0
 19  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11776

> <plate>
PLATE 011

> <well>
C6

> <supplier_cmpd_name>
Sulfamethazine

> <ctcr_id>
66

> <supplier_cmpd_id>
T0741

> <smiles>
Cc1cc(C)nc(N[S](=O)(=O)c2ccc(N)cc2)n1

> <pd_targets>
{CYP3A4,ATM,AMPC,FOLP}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450",Kinase,Hydrolase,Transferase,"Cytochrome P450 family 3","Protein Kinase","Cytochrome P450 family 3A","Atypical protein kinase group","Cytochrome P450 3A4","Atypical protein k
inase PIKK family"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Kinases (EC 2.7.x.x)","CYP3 family",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Metabolism of lipids","Cell Cycle Checkpoints","Biosynthesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpoints","Biosynthesis of DHA-derived SPMs","p
53-Dependent G1/S DNA damage checkpoint","Biosynthesis of maresins","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresin-like SPMs","Stabilization of p53","Autodegradation of the E3 ubiquit
in ligase COP1"}

> <broad_targets>
{}

> <broad_moa>
{"PABA antagonist"}

> <synonyms>
{sulfamethazine,Sulfadimidine,57-68-1,57681,Sulfadimethyldiazine,Sulfamezathine,Sulphamethazine,Sulfadimerazine,Sulphamezathine,Sulfadimezine,Sulfadimidin,Sulphadimidine,"4-amino-N-(4,6-dimethylpyrimi
din-2-yl)benzenesulfonamide","4aminoN(4,6dimethylpyrimidin2yl)benzenesulfonamide",Sulfadimethylpyrim,T0741,1500548,Sulfamethazine,SULFAMETHAZINE}

> <pdid>
PD001748

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5327}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 25  0  0  0  0            999 V2000
   12.3506   -4.5483    0.0000 H   0  3
    9.8506   -4.5483    0.0000 Cl  0  5
   -1.2969  -10.5958    0.0000 C   0  0
   -1.7622   -9.1698    0.0000 N   0  0
   -3.2299   -8.8602    0.0000 C   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    6.3506   -2.2538    0.0000 C   0  0
    7.3506   -3.3718    0.0000 C   0  0
    6.8824   -4.7969    0.0000 C   0  0
    5.4142   -5.1039    0.0000 C   0  0
    4.4142   -3.9859    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 12 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 10  1  0
 25 20  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11777

> <plate>
PLATE 011

> <well>
C7

> <supplier_cmpd_name>
Benzydamine hydrochloride

> <ctcr_id>
1787

> <supplier_cmpd_id>
T0726

> <smiles>
[H+].[Cl-].CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13

> <pd_targets>
{KDM4E,GUCY1A1,GUCY1A2,GUCY1B1,GUCY1B2,CYP2D6,CYP1A2,ALD,PTGS1,PTGS2}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Lyase,"Cytochrome P450",Oxidoreductase,"Lysine demethylase","Guanylate cyclase","Cytochrome P450 family 2","Cytochrome P450 family 1","Jumonji domain-containing",
"Soluble guanylate cyclase","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 2D6","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Cytochrome P450 - arranged by substrate type",Xenobiotics,"CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N
-dealkylated by CYP1A2"}

> <broad_targets>
{}

> <broad_moa>
{"prostanoid receptor antagonist"}

> <synonyms>
{AKOS015899302,SBB058129,"Benzydamine hydrochloride",132-69-4,132694,"Benzydamine HCl","Benzindamine hydrochloride","Benzidamine hydrochloride","Benzydamine (hydrochloride)",UNII-K2GI407R4Q,UNIIK2GI40
7R4Q,C19H24ClN3O,"132-69-4 (HCl)","132694 (HCl)",K2GI407R4Q,Benal,T0726,1505975,Prestw-297,"BENZYDAMINE HYDROCHLORIDE"}

> <pdid>
PD009138

> <targets>
{}

> <classes>
{analgesic,antiinflammatory,antipyretic}

> <pubchem_cids>
{46912033,65464,44666879}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    2.8373    0.5169    0.0000 C   0  0
    2.2267   -0.8531    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    0.1183   -2.3928    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
    0.0000    2.7760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9  3  1  0
  9 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11778

> <plate>
PLATE 011

> <well>
C8

> <supplier_cmpd_name>
Ethosuximide

> <ctcr_id>
2191

> <supplier_cmpd_id>
T0728

> <smiles>
CCC1(C)CC(=O)NC1=O

> <pd_targets>
{RORC,NPSR1,CACNA1G,CACNA1H,CACNA1I}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor","Ion channel","Nuclear receptor","Family A G protein-coupled receptor","Voltage-gated ion channel","Nuclear hormone receptor subfamily 1","Peptide receptor 
(family A GPCR)","Voltage-gated calcium channel","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F member 3","Neurop
eptide receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","Nuclear hormone receptors","G protein-coupled receptors","Voltage-gated ion channels","1F. Retinoic acid-related orphans","Neuropeptide S receptor","Voltage-gated calcium ch
annels"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Developmental Biology","RNA Polymerase II Transcription","Infectious disease","Nervous system development","Generic Transcription Pathway","Leishmania infec
tion","Axon guidance","Transcriptional regulation by RUNX3","Leishmania parasite growth and survival","NCAM signaling for neurite out-growth","RUNX3 Regulates Immune Response and Cell Migration","Anti
-inflammatory response favouring Leishmania parasite infection","NCAM1 interactions","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{CACNA1G,CACNA1H,CACNA1I}

> <broad_moa>
{"succinimide antiepileptic"}

> <synonyms>
{RESTW16,ethosuximide,77-67-8,77678,Zarontin,Etosuximida,2-Ethyl-2-methylsuccinimide,2Ethyl2methylsuccinimide,Ethosuxide,Ethosuccimide,Ethosuccinimide,Etosuximid,Petnidan,Suxinutin,Atysmal,Emeside,Eth
ymal,Suxilep,Pentinimid,Peptinimid,Petinimid,Pyknolepsinum,Succimitin,Zaraondan,Capi,T0728,1502196,Prestw-165,Ethosuximide,ETHOSUXIMIDE}

> <pdid>
PD001366

> <targets>
{}

> <classes>
{anticonvulsant}

> <pubchem_cids>
{3291}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 S   0  0
   -3.8933    3.7570    0.0000 S   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -5.1894    6.0109    0.0000 C   0  0
   -6.4886    5.2609    0.0000 C   0  0
   -7.7876    6.0110    0.0000 N   0  0
   -7.7876    7.5110    0.0000 C   0  0
   -9.0866    8.2610    0.0000 C   0  0
   -6.4885    8.2609    0.0000 C   0  0
   -6.4885    9.7609    0.0000 O   0  0
   -5.1895    7.5109    0.0000 C   0  0
   -3.8882    8.2587    0.0000 C   0  0
   -2.5902    7.5068    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
 17 18  1  0
 18 19  1  0
  5 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23  2  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11779

> <plate>
PLATE 011

> <well>
C9

> <supplier_cmpd_name>
Pyrithioxin

> <ctcr_id>
11057

> <supplier_cmpd_id>
T0905

> <smiles>
Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{PYRITINOL,Pyrithioxin,1098-97-1,1098971,Pyrithioxine,Bonifen,Encefabol,Piritinol,Bonol,"Pyridoxine disulfide","Vitamin B6 disulfide",Epocan,Dipyridoxolyldisulfide,Pyridoxine-5-disulfide,Pyridoxine5di
sulfide,C16H20N2O4S2,UNII-AK5Q5FZH2R,UNIIAK5Q5FZH2R,AK5Q5FZH2R,4-Pyridinemethanol,4Pyridinemethanol,3,3',T0905}

> <pdid>
PD000290

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{14190}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    4.2566    0.5871    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.6120   -3.9767    0.0000 O   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    6.4451   -1.8434    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  2  1  0
  7  8  1  0
  3  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11780

> <plate>
PLATE 011

> <well>
C10

> <supplier_cmpd_name>
Antipyrine

> <ctcr_id>
5507

> <supplier_cmpd_id>
T0734

> <smiles>
CN1N(C(=O)C=C1C)c2ccccc2

> <pd_targets>
{NAPRT,PTGS1,PTGS2}

> <pathway_gtopdb>
{Enzyme,Ligase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Metabolism,"Metabolism of vitamins and cofactors","Metabolism of lipids","Metabolism of water-soluble vitamins and cofactors","Fatty acid metabolism","Biosynthesis of specialized proresolving mediato
rs (SPMs)","Nicotinate metabolism","Arachidonic acid metabolism","Biosynthesis of DPA-derived SPMs","Nicotinamide salvaging","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of D
PAn-3 SPMs"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{antipyrine,Phenazone,60-80-0,60800,Antipyrin,Phenazon,Analgesine,Anodynine,Anodynin,Azophen,Fenazone,"2,3-Dimethyl-1-phenyl-5-pyrazolone","2,3Dimethyl1phenyl5pyrazolone",Antipirin,Phenozone,Apirelina
,Azophene,Methozin,Parodyne,Phenazonum,Phenylone,Pyrazophyl,Sedatine,Sedatin,Dimethy,T0734,1500128,Prestw-29,Antipyrine,ANTIPYRINE}

> <pdid>
PD002469

> <targets>
{Others}

> <classes>
{analgesic,Others}

> <pubchem_cids>
{2206}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0964    0.7636    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 10  1  0
 18 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11781

> <plate>
PLATE 011

> <well>
C11

> <supplier_cmpd_name>
Pindolol

> <ctcr_id>
672

> <supplier_cmpd_id>
T0735

> <smiles>
CC(C)NCC(O)COc1cccc2[nH]ccc12

> <pd_targets>
{HTR2A,ADRB1,HTR1A,LMNA,CHRM1,CYP3A4,HTR1B,HTR1D,HTR1F,NFKB1,ALOX15,GLA,NFO,TP53,HTR2C,HTR2B,NS1,ADRB2,ADRB3,TSHR,CYP2D6,CYP1A2,THRB,BLM,KMT2A,MEN1,ALDH1A1}

> <pathway_gtopdb>
{"Membrane receptor","Other nuclear protein",Enzyme,"Other cytosolic protein","Transcription factor","Unclassified protein","Family A G protein-coupled receptor","Cytochrome P450",Oxidoreductase,Hydro
lase,"Nuclear receptor","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Cytochrome P450 family 1","Nuclear hormone r
eceptor subfamily 1","Monoamine receptor","Cytochrome P450 family 3A","Glycohormone receptor","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group A","Se
rotonin receptor","Adrenergic receptor","Acetylcholine receptor","Cytochrome P450 3A4","Cytochrome P450 2D6","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group A member 2","Epigenetic r
egulator",Reader,Bromodomain}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Eicosanoid turnover","Nuclear hormone receptors","5-Hydroxytryptamine receptors",Adrenoceptors,"Acetylcholine receptors (muscarinic)
","CYP3 family",Lipoxygenases,"Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","CYP1 family","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Cell Cycle",Metabolism,"Immune System","Metabolism of proteins","Signaling by GPCR","Infectious disease",Mitotic,"Metabolism of lipids","Cytokine Signaling in Immune sy
stem","Cell Cycle Checkpoints","Biological oxidations","Post-translational protein modification","GPCR ligand binding","Leishmania infection","M Phase","Biosynthesis of specialized proresolving mediat
ors (SPMs)","Signaling by Interleukins","Sphingolipid metabolism","G1/S DNA Damage Checkpoints","Phase I - Functionalization of compounds",SUMOylation,"Class A/1 (Rhodopsin-like receptors)","Leishmani
a parasite growth and survival","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Interleukin-1 family signaling","Biosynthesis of DPA-derived SPMs","Glycosphingolipid metabolism","
p53-Dependent G1/S DNA damage checkpoint","Cytochrome P450 - arranged by substrate type","SUMO E3 ligases SUMOylate target proteins","Amine ligand-binding receptors","Anti-inflammatory response favour
ing Leishmania parasite infection","Mitotic Anaphase","Biosynthesis of maresins","Interleukin-1 signaling","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response",Xenobiotics,"SUMOylation
 of intracellular receptors","Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Biosynthesis of ma
resin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Stabilization of p53","CYP2E1 reactions","Aromatic amines can be N-hydroxylated
 or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","DNA Repair","DNA Double-Strand Break Repair","Homology Directed Repair
","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation","HDR through Homologous Recombination (HRR)","Homologous DNA Pairing and Strand Exchange","Presynapt
ic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{HTR1A}

> <broad_moa>
{"adrenergic receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{pindolol,13523-86-9,13523869,Visken,Prinodolol,Betapindol,Carvisken,Durapindol,Pinbetol,Calvisken,Decreten,Pectobloc,Pynastin,"Blocklin L",LB-46,LB46,Pindololum,Glauco-visken,Glaucovisken,"Blockin L"
,"LB 46",Blocklin-L,BlocklinL,4-(2-Hydroxy-3-isopropylaminopropoxy)-indole,4(2Hydroxy3isopropylaminopropoxy)indole,1-(1H,1(1H,T0735,SAM002264631,1500488,Prestw-90,Pindolol,CPD000059120,PINDOLOL}

> <pdid>
PD001798

> <targets>
{5-HT Receptor,Adrenergic Receptor}

> <classes>
{antihypertensive,antiarrhythmic,antiglaucoma agent,antianginal,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{4828}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  1  0            999 V2000
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0  1  0  0  0
    2.6000   -1.5000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 N   0  0
    1.3000    2.2500    0.0000 O   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  1  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11782

> <plate>
PLATE 011

> <well>
D2

> <supplier_cmpd_name>
L-Ornithine

> <ctcr_id>
11058

> <supplier_cmpd_id>
T0737

> <smiles>
C(=O)([C@@H](N)CCCN)O

> <pd_targets>
{GPRC6A,FFP,HSD17B10}

> <pathway_gtopdb>
{"Membrane receptor","Family C G protein-coupled receptor",Enzyme,Transferase,Oxidoreductase}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Orphan and other 7TM receptors","Class C Orphans"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (q) signalling events",Metabolism,"Metabolism of amino acids and derivatives","Branched-chain amino acid catabolism"}

> <broad_targets>
{GPRC6A}

> <broad_moa>
{"NFkB pathway modulator"}

> <synonyms>
{ORNITHIN,L-ornithine,Lornithine,ornithine,70-26-8,70268,"(S)-2,5-Diaminopentanoic acid","(S)2,5Diaminopentanoic acid",(S)-Ornithine,(S)Ornithine,"(S)-2,5-diaminovaleric acid","(S)2,5diaminovaleric ac
id","Ornithine (INN)","L-Norvaline, 5-amino-","LNorvaline, 5amino","(S)-alpha,delta-Diaminovaleric acid","(S)alpha,deltaDiaminovaleric acid","Ornithinum (Latin)","Ornitina (Spanish)",(2S)-2,(2S)2,5-di
ami,5diami,T0737,L-Ornithine}

> <pdid>
PD007380

> <targets>
{"Ornithine aminotransferase","Ornithine carbamoyltransferase",Arginase-1,Arginase-2,"Ornithine decarboxylase antizyme 1"}

> <classes>
{Others}

> <pubchem_cids>
{6262}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 S   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1017   -6.1219    0.0000 S   0  0
    4.6332   -7.5468    0.0000 C   0  0
    3.1332   -7.5416    0.0000 C   0  0
    2.6747   -6.1134    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11783

> <plate>
PLATE 011

> <well>
D3

> <supplier_cmpd_name>
Urea

> <ctcr_id>
4608

> <supplier_cmpd_id>
T0738

> <smiles>
S=C(Nc1ccccc1)Nc2sccn2

> <pd_targets>
{KMT2A,ALDH1A1,ALD,CYP2D6,CYP3A4,CYP1A2,TGR,BLM,THPO,RAB9A,MEN1,NPC1,HTT,CYP2C19,PKM,LMNA,MAPK1,NFKB1,SMN1,NPSR1,CYP2C9,LEF,GAA,PYK,PMP22,FFP,HSD17B10,MTOR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Unclassified protein",Transporter,"Other nuclear protein","Other cytosolic protein","Membrane receptor",Reader,Oxidoreductase,"Cytochrome P450",Hydrolase,Kinase,"Family
 A G protein-coupled receptor",Protease,Transferase,Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","Protein Kinase","Methyl-lysine/arginine binding protei
n","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 family 2C","CMGC protein kinase group","Tu
dor domain","Short peptide receptor (family A GPCR)","Metallo protease MAE clan","Atypical protein kinase group","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1","Cytochrome P450 2C19
","CMGC protein kinase MAPK family","Neuropeptide receptor","Cytochrome P450 2C9","Metallo protease M34 family","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinas
e FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Chromatin modifying enzymes","Cytochrome P450","SLC superfamily of solute carriers","2.7.1.40 Pyruvate kinases","Kinases (EC 2.7.x.x)","G protein-coupled receptors","3
.2.1.- Glycosidases","2.1.1.43 Histone methyltransferases (HMTs)","CYP2 family: drug metabolising subset","CYP3 family","CYP1 family","SLC65 NPC-type cholesterol transporters","CMGC: Containing CDK",M
APK,GSK3,"CLK families","Neuropeptide S receptor",Atypical,"Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfa
mily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"DNA Repair",Hemostasis,"Signal Transduction","Transport of small molecules","Cell Cycle","Immune System","Metabolism of RNA",Disease,"Developmental Biolo
gy","RNA Polymerase II Transcription","Biological oxidations","Metabolism of lipids","DNA Double-Strand Break Repair","Platelet activation","signaling and aggregation","Signaling by Rho GTPases","Plas
ma lipoprotein assembly",remodeling,"and clearance","Metabolism of carbohydrates",Mitotic,"Innate Immune System","Cytokine Signaling in Immune system","Metabolism of non-coding RNA","Infectious diseas
e","Diseases of metabolism","Nervous system development","Metabolism of amino acids and derivatives","Generic Transcription Pathway","Phase I - Functionalization of compounds","Biosynthesis of special
ized proresolving mediators (SPMs)","Homology Directed Repair","Platelet Aggregation (Plug Formation)","Rho GTPase cycle","Plasma lipoprotein clearance","Glucose metabolism","M Phase","Toll-like Recep
tor Cascades","Signaling by Interleukins","snRNP Assembly","Leishmania infection","Uptake and actions of bacterial toxins","Diseases of carbohydrate metabolism","EGR2 and SOX10-mediated initiation of 
Schwann cell myelination","Branched-chain amino acid catabolism","Transcriptional regulation by RUNX1","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived S
PMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","RHOBTB GTPase Cycle","LDL clearance","Transcriptional Regulation by MECP2",Glycolysis,"Mitotic Metaphase and Anaphas
e","Toll Like Receptor 5 (TLR5) Cascade","Interleukin-1 family signaling","Leishmania parasite growth and survival","Uptake and function of anthrax toxins","Glycogen storage diseases","Transcriptional
 Regulation by TP53","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function",Xenobiotics,"Biosynthesis of maresins","HDR through Homologous Recombination (HRR)","RHOBTB
3 ATPase cycle","Regulation of MECP2 expression and activity","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Interleukin-1 signaling","Anti-inflammatory response favouring Leishmania
 parasite infection","Glycogen storage disease type II (GAA)","Regulation of TP53 Activity","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylat
ed by CYP1A2","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","MAP kinase activation","MAP3K8 (TPL2)-dependent MAPK1/3 activation","ADORA2B mediated anti-inflammatory c
ytokines production","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ 
Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1-phenyl-3-(2-thiazolyl)-2-thiourea,1phenyl3(2thiazolyl)2thiourea,14901-16-7,14901167,"Thiourea, N-phenyl-N'-2-thiazolyl-","Thiourea, NphenylN'2thiazolyl",1-Phenyl-3-(thiazol-2-yl)thiourea,1Phenyl3(t
hiazol2yl)thiourea,PHENYLTHIAZOLYLTHIOUREA,1-Phenyl-3-(2-thiazolyl)thiourea,1Phenyl3(2thiazolyl)thiourea,"1-phenyl-3-(1,3-thiazol-2-yl)thiourea","1phenyl3(1,3thiazol2yl)thiourea",Urea,1-phenyl-3-(2-th
iazo,1phenyl3(2thiazo,NSC139257,"NSC 139257","U 14624"}

> <pdid>
PD015136

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{719408}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  8  0  0  0  0            999 V2000
    9.0000    0.3750    0.0000 Cl  0  0
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 N   0  0
    3.9000    0.7500    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 N   0  0
    6.4992    0.7496    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11784

> <plate>
PLATE 011

> <well>
D4

> <supplier_cmpd_name>
Metformin hydrochloride

> <ctcr_id>
1065

> <supplier_cmpd_id>
T0740

> <smiles>
Cl.CN(C)C(=N)NC(N)=N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"amino((dimethylamino)iminomethyl)carboxamidine, chloride","Metformin HCl form I","Metformin HCl form II",SBB056982,AKOS024362789,ST50993881,"Metformin hydrochloride",1115-70-4,1115704,"1,1-Dimethylb
iguanide hydrochloride","1,1Dimethylbiguanide hydrochloride","Metformin HCL",1505814,Prestw-4,"METFORMIN HYDROCHLORIDE"}

> <pdid>
PD010095

> <targets>
{}

> <classes>
{antidiabetic}

> <pubchem_cids>
{43833340,14219,53630812}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  3
    1.2947   -3.7531    0.0000 O   0  5
   -1.3032   -3.7490    0.0000 O   0  0
   -2.6003    1.4977    0.0000 N   0  3
   -2.6030    2.9977    0.0000 O   0  5
   -3.8983    0.7459    0.0000 O   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 N   0  0
    2.5951    3.0031    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  5 11  1  0
 11 12  1  0
 11 13  2  0
  3 14  1  0
 14 15  1  0
 14 16  2  0
M  CHG  4   8   1   9  -1  11   1  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11785

> <plate>
PLATE 011

> <well>
D5

> <supplier_cmpd_name>
Dinitolmide

> <ctcr_id>
4374

> <supplier_cmpd_id>
T0873

> <smiles>
Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{dinitolmide,"2-Methyl-3,5-dinitrobenzamide","2Methyl3,5dinitrobenzamide",148-01-6,148016,Zoalene,"3,5-Dinitro-o-toluamide","3,5Dinitrootoluamide","Coccidine A",Coccidot,Zoamix,"Benzamide, 2-methyl-3,
5-dinitro-","Benzamide, 2methyl3,5dinitro",Dinitolmida,"Zoalene (ANSI)",Dinitolmidum,Salcostat,Dinitrotoluamide,"Dinitolmide (INN:BAN)",T0873,1503036,Dinitolmide,DINITOLMIDE}

> <pdid>
PD001103

> <targets>
{}

> <classes>
{antiprotozoal}

> <pubchem_cids>
{3092}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    1.6317   -2.2458    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    2.6401    0.8578    0.0000 C   0  0
    0.0000    1.2760    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6332   -2.2426    0.0000 N   0  3
   -3.1247   -2.0836    0.0000 O   0  0
   -1.0255   -3.6140    0.0000 O   0  5
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
M  CHG  2   8   1  10  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11786

> <plate>
PLATE 011

> <well>
D6

> <supplier_cmpd_name>
Dimetridazole

> <ctcr_id>
11060

> <supplier_cmpd_id>
T0874

> <smiles>
Cn1c(C)ncc1[N+](=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA inhibitor"}

> <synonyms>
{dimetridazole,"1,2-Dimethyl-5-nitroimidazole","1,2Dimethyl5nitroimidazole",551-92-8,551928,"1,2-DIMETHYL-5-NITRO-1H-IMIDAZOLE","1,2DIMETHYL5NITRO1HIMIDAZOLE",Dimetridazol,Emtryl,Emtrylvet,Emtrymix,"U
nizole Soluble",Dimetridazolum,"1H-Imidazole, 1,2-dimethyl-5-nitro-","1HImidazole, 1,2dimethyl5nitro","5-Nitro-1,2-dimethylimidazole","5Nitro1,2dimethylimidazole","RP 8595",T0874,Dimetridazole}

> <pdid>
PD000185

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{3090}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  9  0  0  1  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0  1  0  0  0
    3.8969    2.2508    0.0000 C   0  0
    2.5968    2.9990    0.0000 S   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.4992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11787

> <plate>
PLATE 011

> <well>
D7

> <supplier_cmpd_name>
Acetylcysteine

> <ctcr_id>
5471

> <supplier_cmpd_id>
T0875

> <smiles>
CC(=O)N[C@@H](CS)C(O)=O

> <pd_targets>
{FFP,MAPT,NFKB1,THPO,BLM,KDM4E,THRB,RECQL,CHRM1,GSS,SLC7A11,IKBKB,CHUK,GRIN2B,GRIN1,GRIN2A,GRIN2D,GRIN3A,ALOX15,HSD17B10}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Unclassified protein","Epigenetic regulator","Transcription factor","Membrane receptor",Transporter,"Ion channel",Transferase,Eraser,"Nuclear receptor","Family A G p
rotein-coupled receptor","Electrochemical transporter",Kinase,"Ligand-gated ion channel","Lysine demethylase","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","SLC supe
rfamily of solute carriers","Protein Kinase","Ionotropic glutamate receptor","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group A","Monoamine receptor","SLC03 and SLC07 families o
f heteromeric amino acid transporters (HATs)","Other protein kinase group","NMDA receptor","Nuclear hormone receptor subfamily 1 group A member 2","Acetylcholine receptor","SLC07 Cationic amino acid t
ransporter/glycoprotein-associated family","Other protein kinase IKK family",Oxidoreductase}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Chromatin modifying enzymes","Nuclear hormone receptors","G protein-coupled receptors","SLC superfamily of solute carriers","Catalytic receptors","Ligan
d-gated ion channels","1.14.11.- Histone demethylases","1A. Thyroid hormone receptors","Acetylcholine receptors (muscarinic)","SLC3 and SLC7 families of heteromeric amino acid transporters (HATs)","Re
ceptor kinases","Ionotropic glutamate receptors","SLC7 family","Other protein kinases","IKK family","Eicosanoid turnover",Lipoxygenases}

> <pathway_reactome>
{"Neuronal System","Immune System",Hemostasis,"DNA Repair","Metabolism of proteins","Signal Transduction",Metabolism,"Transport of small molecules","Transmission across Chemical Synapses","Cytokine Si
gnaling in Immune system","Platelet activation","signaling and aggregation","DNA Double-Strand Break Repair","Post-translational protein modification","Signaling by GPCR","Biological oxidations","SLC-
mediated transmembrane transport","Innate Immune System","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","Homology
 Directed Repair",SUMOylation,"GPCR ligand binding","Phase II - Conjugation of compounds","Transport of inorganic cations/anions and amino acids/oligopeptides","Toll-like Receptor Cascades","Activatio
n of NMDA receptors and postsynaptic events","Interleukin-1 family signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","SUMO E3 ligases SUMOylate target proteins",
"Class A/1 (Rhodopsin-like receptors)","Glutathione conjugation","Amino acid transport across the plasma membrane","Toll Like Receptor 4 (TLR4) Cascade","Post NMDA receptor activation events","Interle
ukin-1 signaling","HDR through Homologous Recombination (HRR)","SUMOylation of intracellular receptors","Amine ligand-binding receptors","Glutathione synthesis and recycling","MyD88-independent TLR4 c
ascade","Assembly and cell surface presentation of NMDA receptors","Activation of AMPK downstream of NMDARs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Homologous DNA Pairing and Strand Exchange","
Muscarinic acetylcholine receptors","TRIF(TICAM1)-mediated TLR4 signaling","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Long-term potentiation","Presynaptic phas
e of homologous DNA pairing and strand exchange","IKK complex recruitment mediated by RIP1","Ras activation upon Ca2+ influx through NMDA receptor","Metabolism of lipids","Metabolism of amino acids an
d derivatives","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Biosynthesis of DPA-derived SPMs","Biosynthesis of DPAn-3 SPMs","Biosynthesis of DPAn
-3-derived protectins and resolvins"}

> <broad_targets>
{ACY1,CHUK,GRIN1,GRIN2A,GRIN2B,GRIN2D,GRIN3A,GSS,IKBKB,RELA,SLC7A11}

> <broad_moa>
{"mucolytic agent"}

> <synonyms>
{N-Acetyl-L-cysteine,NAcetylLcysteine,acetylcysteine,616-91-1,616911,N-Acetylcysteine,NAcetylcysteine,"mercapturic acid",Acetadote,L-Acetylcysteine,LAcetylcysteine,Mucomyst,N-Acetyl-cysteine,Broncholy
sin,Fluimucil,Parvolex,Fluprowit,Acetein,Airbron,Fabrol,Fluimucetin,Flumucetin,Mucosolvin,Mucosil,Prestw-1206,Acetylcysteine}

> <pdid>
PD002488

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{12035}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 I   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11788

> <plate>
PLATE 011

> <well>
D8

> <supplier_cmpd_name>
Clioquinol

> <ctcr_id>
3434

> <supplier_cmpd_id>
T0876

> <smiles>
Oc1c(I)cc(Cl)c2cccnc12

> <pd_targets>
{CYP1A2,LMNA,HIF1A,RORC,ALOX15,COMT,HDAC8,HDAC7,MAPT,KMT2A,MEN1,HPGD,TP53,OPRK1,BOTA,HDAC2,HDAC5,CA15,KDM4E,HTT,HSP90AA1,APE1,HDAC9,ALDH1A1,CYP3A4,APP,TGR,FFP,ALOX12,MAPK1,HDAC4,ALOX5,ALOX15B,ALD,SKA,
NR1I2,STAT6,MAPK14,ACE,AMPC,HSD17B10,MAPK3,ERBB2,PAX8,ADORA3,EGFR,LCK,FYN}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Membrane receptor","Cytochrome P450",Protease,"Nuclear receptor",Oxidore
ductase,Transferase,Eraser,Reader,"Family A G protein-coupled receptor",Lyase,Kinase,"Cytochrome P450 family 1","Cysteine protease","Nuclear hormone receptor subfamily 1","Histone deacetylase",Bromodo
main,"Peptide receptor (family A GPCR)","Metallo protease","Lysine demethylase","Cytochrome P450 family 3","Protein Kinase","Cytochrome P450 family 1A","Cysteine protease CA clan","Nuclear hormone rec
eptor subfamily 1 group F","HDAC class I","HDAC class IIa","Short peptide receptor (family A GPCR)","Metallo protease MAE clan","Jumonji domain-containing","Metallo protease MH clan","Cytochrome P450 
family 3A","CMGC protein kinase group","Cytochrome P450 1A1","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","Opioid receptor","Metallo protease M27 family","Met
allo protease M18 family","Cytochrome P450 3A4","CMGC protein kinase MAPK family","CMGC protein kinase ERK1","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group 
I member 2",Hydrolase,"Small molecule receptor (family A GPCR)","TK protein kinase group","Nucleotide-like receptor (family A GPCR)","Metallo protease M2 family","Tyrosine protein kinase EGFR family",
"Adenosine receptor","Tyrosine protein kinase Src family","CMGC protein kinase p38 subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Cytochrome P450","Nuclear hormone receptors","Eicosanoid turnover","Catecholamine turnover","Chromatin modifying enzymes","G protein-coupled receptors","Hea
t shock proteins","Kinases (EC 2.7.x.x)","CYP1 family","1F. Retinoic acid-related orphans",Lipoxygenases,"3.5.1.- Histone deacetylases (HDACs)","Prostaglandin synthases","Opioid receptors","1.14.11.- 
Histone demethylases","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily","1I. Vitamin D receptor-like receptors","Transcrip
tion factors","Peptidases and proteinases","Catalytic receptors","STAT transcription factors","MA: Metallo (M) Peptidases","Receptor kinases","Adenosine receptors","M2: Angiotensin-converting  (ACE an
d ACE2)","TK: Tyrosine kinase","p38 subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Cellular responses to external stimuli","Gene expression (Transcription)","Neuronal System",Disease,"Immune System","Biological oxidations",Mitotic,"Cellular responses to str
ess","RNA Polymerase II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Cell Cycle Che
ckpoints","Infectious disease","Innate Immune System","Phase I - Functionalization of compounds","M Phase","Cellular response to hypoxia","Generic Transcription Pathway","Biosynthesis of specialized p
roresolving mediators (SPMs)","Neurotransmitter clearance","Signaling by NOTCH1 in Cancer","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Uptake and a
ctions of bacterial toxins","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylati
on of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Dopamine clearance from the synaptic cleft","Signaling by NOTCH1 HD+PEST Domain Mutants 
in Cancer","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by MECP2","Neurotoxicity of 
clostridium toxins","Transcriptional Regulation by TP53","G2/M Transition","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX2",Xenobiotics,"Mitotic Anaphase
","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Enzymatic degradation of dopamine by COMT","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Post NMDA re
ceptor activation events","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","MECP2 regulates neuronal receptors and channels","Toxicity of botulinum toxin type A (botA)","Reg
ulation of TP53 Activity","Regulation of MECP2 expression and activity","Centrosome maturation","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","RUNX2 regulates bone developmen
t","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Separation of Sister Chromatids","Ac
tivation of AMPK downstream of NMDARs","Stabilization of p53","Regulation of TP53 Activity through Acetylation","Loss of proteins required for interphase microtubule organization from the centrosome",
"Biosynthesis of maresin-like SPMs","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Biosynthesis of DPAn-3-derived maresins","MAP kinase activation","RUNX2 regulates chondrocy
te maturation","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP 
kinases","ERK/MAPK targets","ERKs are inactivated","Metabolism of proteins","Post-translational protein modification","Fatty acid metabolism",SUMOylation,"Arachidonic acid metabolism","SUMO E3 ligases
 SUMOylate target proteins","Synthesis of 15-eicosatetraenoic acid derivatives","SUMOylation of intracellular receptors","Biosynthesis of DPAn-3-derived 13-series resolvins","Developmental Biology","S
ignal Transduction","Peptide hormone metabolism","Metabolism of amino acids and derivatives","Nervous system development","Signaling by GPCR","Cytosolic sensors of pathogen-associated DNA","Metabolism
 of Angiotensinogen to Angiotensins","Branched-chain amino acid catabolism","Axon guidance","GPCR ligand binding","GPCR downstream signalling","HIV Infection","STING mediated induction of host immune 
responses","Semaphorin interactions","Class A/1 (Rhodopsin-like receptors)","G alpha (q) signalling events","Host Interactions of HIV factors","STAT6-mediated induction of chemokines","Sema4D in semap
horin signaling","Nucleotide-like (purinergic) receptors","Gastrin-CREB signalling pathway via PKC and MAPK","The role of Nef in HIV-1 replication and disease pathogenesis","Sema4D induced cell migrat
ion and growth-cone collapse","Adenosine P1 receptors","EGFR Transactivation by Gastrin","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Nef and signa
l transduction","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{}

> <broad_moa>
{antiseptic}

> <synonyms>
{130-26-7,130267,5-Chloro-7-iodoquinolin-8-ol,5Chloro7iodoquinolin8ol,Iodochlorhydroxyquin,Chinoform,5-Chloro-8-hydroxy-7-iodoquinoline,5Chloro8hydroxy7iodoquinoline,Chloroiodoquin,Chloroiodoquine,Vio
form,Iodochloroxyquinoline,Cliquinol,5-Chloro-7-iodo-8-quinolinol,5Chloro7iodo8quinolinol,Iodochlorohydroxyquinoline,Ch,T0500,T0876,T0701,T0513,1505114,Prestw-886,Capitrol,Clioquinol,Broxyquinoline,Io
doquinol,CLIOQUINOL}

> <pdid>
PD000622

> <targets>
{Antibiotic,Autophagy,Fungal,Mitophagy}

> <classes>
{antiseptic,antiamebic,Anti-infection,Autophagy}

> <pubchem_cids>
{2788}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
 12  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11789

> <plate>
PLATE 011

> <well>
D9

> <supplier_cmpd_name>
Gallic acid

> <ctcr_id>
1796

> <supplier_cmpd_id>
T0877

> <smiles>
OC(=O)c1cc(O)c(O)c(O)c1

> <pd_targets>
{KDM4E,MAPK1,TP53,DPP4,HSD17B10,CA9,CA7,CA5B,P4HA1,ST3GAL1,CA6,GAPDH,MAPT,LEF,FUT4,FFP,CA1,LMNA,FUT7,SERPINE1,SQLE,CA5A,CA13,SELP,LUXP,CA12,SELL,TDP1,ALDOA,ALD,CA3,CA2,FUT6,CA4,RORC,ALDH1A1,HPGD,CA14,
TLR2,GALNT2}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor","Other cytosolic protein","Other nuclear protein","Secreted protein",Adhesion,"Unclassified protein","Membrane receptor",Eraser,Kinase,Protease,Ox
idoreductase,Lyase,Transferase,Hydrolase,"Nuclear receptor","Toll-like and Il-1 receptors","Lysine demethylase","Protein Kinase","Serine protease","Metallo protease","Nuclear hormone receptor subfamil
y 1","Jumonji domain-containing","CMGC protein kinase group","Serine protease SC clan","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase MAPK family","Ser
ine protease S9B subfamily","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Peptidases and proteinases","Carbonic anhydrases","Lanosterol biosynthesis pathway","CD molecules","Nuc
lear hormone receptors","Eicosanoid turnover","Catalytic receptors","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SC: Serine (S) Peptidases","1F. Retinoic acid-rela
ted orphans","Prostaglandin synthases","Pattern recognition receptors","Mitogen-activated protein kinases (MAP kinases)","S9: Prolyl oligopeptidase","Toll-like receptor family","ERK subfamily"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Metabolism of proteins",Metabolism,"Cellular responses to external stimuli","Extracellular matrix organization",Disease,"Neuronal System","Gene expression (Transcription
)",Hemostasis,"DNA Repair","Transport of small molecules","Vesicle-mediated transport","Innate Immune System","Cell Cycle Checkpoints","Peptide hormone metabolism","Metabolism of amino acids and deriv
atives","Cellular responses to stress","Reversible hydration of carbon dioxide","Collagen formation","Infectious disease","Metabolism of carbohydrates","Transmission across Chemical Synapses","Cytokin
e Signaling in Immune system",Mitotic,"RNA Polymerase II Transcription","Metabolism of lipids","Platelet activation","signaling and aggregation","Adaptive Immune System","DNA Double-Strand Break Repai
r","O2/CO2 exchange in erythrocytes","Biological oxidations","Membrane Trafficking","Toll-like Receptor Cascades","G1/S DNA Damage Checkpoints","Incretin synthesis",secretion,"and inactivation","Branc
hed-chain amino acid catabolism","Cellular response to hypoxia","Collagen biosynthesis and modifying enzymes","SARS-CoV Infections","Glucose metabolism","Neurotransmitter receptors and postsynaptic si
gnal transmission","Uptake and actions of bacterial toxins","Blood group systems biosynthesis","Signaling by Interleukins","M Phase","Generic Transcription Pathway","Metabolism of steroids","Response 
to elevated platelet cytosolic Ca2+","Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell","Nonhomologous End-Joining (NHEJ)","Erythrocytes take up carbon dioxide and release oxyg
en","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Intra-Golgi and retrograde Golgi-to-ER traffic","Toll Like Receptor 5 (TLR5) Cascade","p53-D
ependent G1/S DNA damage checkpoint",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Regulation of gene expression by Hypoxia-inducible Factor","SARS-CoV-1 Infection",Gluconeogenesis,
"Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax toxins","Lewis blood group biosynthesis","Interleukin-12 family signaling","Mitotic Metaphase and Anaphase","Tran
scriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Platelet degranulation","Transcriptional regulation by RUNX3","Ethanol oxidation","Bi
osynthesis of DHA-derived SPMs","Toll Like Receptor 2 (TLR2) Cascade","Golgi-to-ER retrograde transport","MyD88 cascade initiated on plasma membrane","p53-Dependent G1 DNA Damage Response","Translatio
n of structural proteins","Post NMDA receptor activation events","Interleukin-12 signaling","Mitotic Anaphase","SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription","Activation of gene expression b
y SREBF (SREBP)","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","Toll Like Receptor TLR6:TLR2 Cascade","COPI-independent Golgi-to-ER retrograde traffic","MAP
 kinase activation","Stabilization of p53","Maturation of protein 3a","Activation of AMPK downstream of NMDARs","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Nu
clear Envelope (NE) Reassembly","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","Initia
tion of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CA1,CA12,CA14,CA2,CA4,CA6,CA9,SELP}

> <broad_moa>
{"beta amyloid protein neurotoxicity inhibitor","PPAR receptor agonist"}

> <synonyms>
{"Gallic acid","3,4,5-Trihydroxybenzoic acid","3,4,5Trihydroxybenzoic acid",149-91-7,149917,gallate,"Benzoic acid, 3,4,5-trihydroxy-","Benzoic acid, 3,4,5trihydroxy","Gallic acid, tech.",GALOP,"Pyroga
llol-5-carboxylic acid","Pyrogallol5carboxylic acid","Kyselina gallova","HSDB 2117","3,4,5-Trihydroxybenzoate","3,4,5Trihydroxybenzoate",MFCD00002510,"CCRIS 5523",Gallic,T0877,NSC20103,210369,"GALLIC 
ACID"}

> <pdid>
PD002145

> <targets>
{}

> <classes>
{astringent,antineoplastic,antibacterial}

> <pubchem_cids>
{370}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 43 47  0  0  1  0            999 V2000
    7.7938   -3.0046    0.0000 C   0  0
    6.4946   -3.7543    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8927   -4.7525    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1953   -1.5031    0.0000 O   0  0
   -5.1932   -3.0039    0.0000 C   0  0  2  0  0  0
   -3.8915   -3.7495    0.0000 O   0  0
   -3.8863   -5.2495    0.0000 C   0  0  2  0  0  0
   -2.5825   -5.9928    0.0000 C   0  0
   -1.2864   -5.2360    0.0000 O   0  0
    0.0175   -5.9792    0.0000 C   0  0  1  0  0  0
    0.0228   -7.4793    0.0000 O   0  0
    1.3244   -8.2248    0.0000 C   0  0  2  0  0  0
    1.3297   -9.7248    0.0000 C   0  0
    2.6209   -7.4702    0.0000 C   0  0  1  0  0  0
    3.9225   -8.2157    0.0000 O   0  0
    2.6156   -5.9703    0.0000 C   0  0  2  0  0  0
    3.4799   -5.4672    0.0000 O   0  0
    1.3140   -5.2248    0.0000 C   0  0  2  0  0  0
    1.3088   -3.7248    0.0000 O   0  0
   -5.1828   -6.0040    0.0000 C   0  0  1  0  0  0
   -5.1776   -7.5040    0.0000 O   0  0
   -6.4844   -5.2585    0.0000 C   0  0  2  0  0  0
   -7.7808   -6.0130    0.0000 O   0  0
   -6.4896   -3.7585    0.0000 C   0  0  1  0  0  0
   -7.7912   -3.0131    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  6 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  6
 23 24  1  0
 25 24  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  1
 27 29  1  0
 29 30  1  6
 29 31  1  0
 31 32  1  1
 31 33  1  0
 33 25  1  0
 33 34  1  1
 22 35  1  0
 35 36  1  1
 35 37  1  0
 37 38  1  6
 37 39  1  0
 39 20  1  0
 39 40  1  1
 18 41  1  0
 41 42  2  0
 42 14  1  0
 42 43  1  0
 43 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11790

> <plate>
PLATE 011

> <well>
D10

> <supplier_cmpd_name>
Diosmin

> <ctcr_id>
3178

> <supplier_cmpd_id>
T0878

> <smiles>
COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2

> <pd_targets>
{KMT2A,MEN1,AMPC,POLB,KDM1A,AURKB,AHR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor",Reader,Hydrolase,Eraser,Kinase,Bromodomain,"Lysine demethylase","Protein Kinase","Lysine-specific demethylase","Other protein kinase group","Other
 protein kinase AUR family"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Chromatin modifying enzymes","Catalytic receptors","Aryl hydrocarbon receptor","1.14.11.- Histone demethylases","Receptor kinases","Other protein kinases","
Aurora kinase (Aur) family"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction","Cell Cycle",Metabolism,"Base Excision Repair","Intracellular signaling by second messengers",Mitotic,"Biological oxidations","Resolution of Abasic Sites (AP sites)
","PIP3 activates AKT signaling","M Phase","Phase I - Functionalization of compounds","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","PTEN Regulation","Mitotic Metaphas
e and Anaphase","Cytochrome P450 - arranged by substrate type","PCNA-Dependent Long Patch Base Excision Repair","Regulation of PTEN gene transcription","Mitotic Anaphase","Endogenous sterols","Separat
ion of Sister Chromatids"}

> <broad_targets>
{AHR}

> <broad_moa>
{"aryl hydrocarbon receptor agonist","capillary stabilizing agent"}

> <synonyms>
{Spectrum_001563,Spectrum001563,Spectrum-001563,"Spectrum 001563",Spectrum2_000858,Spectrum2000858,Spectrum2-000858,"Spectrum2 000858",Spectrum3_001571,Spectrum3001571,Spectrum3-001571,"Spectrum3 0015
71",Spectrum4_000168,Spectrum4000168,Spectrum4-000168,"Spectrum4 000168",Spectrum5_001243,Spectrum5001243,Spectrum5-001243,"Spectrum5 001243",BSPBio_003102,BSPBio003102,BSPBio-003102,"BSPBio 003102",K
BioGR_000655,KBioGR000655,KBioGR-000655,"KBioGR 000655",KBioSS_002043,KBioSS002043,KBioSS-002043,"KBioSS 002043",DivK1c_000671,DivK1c000671,DivK1c-000671,"DivK1c 000671",SPECTRUM1503219,SPBio_000875,S
PBio000875,SPBio-000875,"SPBio 000875",HMS502B13,KBio1_000671,KBio1000671,KBio1-000671,"KBio1 000671",KBio2_002043,KBio2002043,KBio2-002043,"KBio2 002043",KBio2_004611,KBio2004611,KBio2-004611,"KBio2 
004611",KBio2_007179,KBio2007179,KBio2-007179,"KBio2 007179",KBio3_002602,KBio3002602,KBio3-002602,"KBio3 002602",NIN,1503219,DIOSMIN}

> <pdid>
PD001043

> <targets>
{Aryl Hydrocarbon Receptor}

> <classes>
{vascular protectant,Immunology/Inflammation}

> <pubchem_cids>
{5702226}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11791

> <plate>
PLATE 011

> <well>
D11

> <supplier_cmpd_name>
Nicotinic acid

> <ctcr_id>
3573

> <supplier_cmpd_id>
T0879

> <smiles>
OC(=O)c1cccnc1

> <pd_targets>
{HCAR2,ALDH1A1,GAA,APP,HCAR3,HCAR1,QPRT,NNMT}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Family A G protein-coupled receptor",Oxidoreductase,Hydrolase,Transferase,"Small molecule receptor (family A GPCR)","Carboxylic acid receptor","Hydroxycarboxylic acid rece
ptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","3.2.1.- Glycosidases","Hydroxycarboxylic acid receptors"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Immune System","Signaling by GPCR","Biological oxidations","Diseases of metabolism","Innate Immune System","Metabolism of vitamins and cofactors","GPCR ligan
d binding","Phase I - Functionalization of compounds","Diseases of carbohydrate metabolism","Toll-like Receptor Cascades","Metabolism of water-soluble vitamins and cofactors","Class A/1 (Rhodopsin-lik
e receptors)","Ethanol oxidation","Glycogen storage diseases","Toll Like Receptor 5 (TLR5) Cascade","Nicotinate metabolism","Hydroxycarboxylic acid-binding receptors","Glycogen storage disease type II
 (GAA)","MyD88 cascade initiated on plasma membrane","Nicotinamide salvaging","TAK1 activates NFkB by phosphorylation and activation of IKKs complex"}

> <broad_targets>
{DGAT2,HCAR1,HCAR2,HCAR3,NNMT,QPRT}

> <broad_moa>
{"NAD precursor","vitamin B"}

> <synonyms>
{"nicotinic acid",niacin,59-67-6,59676,"Pyridine-3-carboxylic acid","Pyridine3carboxylic acid","3-pyridinecarboxylic acid","3pyridinecarboxylic acid",3-Carboxypyridine,3Carboxypyridine,wampocap,Niaspa
n,Apelagrin,Pellagrin,Akotin,Daskil,Efacin,Pelonin,"Acidum nicotinicum",Linic,nicamin,nicobid,nicoca,T0879,SAM002554917,1500430,Prestw-881,"Nicotinic acid",CPD000059024,NIACIN,Niacin}

> <pdid>
PD001840

> <targets>
{}

> <classes>
{"vitamin (enzyme cofactor)",antihyperlipidemic}

> <pubchem_cids>
{117629482,938}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0992    0.7496    0.0000 O   0  0
    7.7999   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11792

> <plate>
PLATE 011

> <well>
E2

> <supplier_cmpd_name>
6-Aminocaproic acid

> <ctcr_id>
11061

> <supplier_cmpd_id>
T0881

> <smiles>
NCCCCCC(=O)O

> <pd_targets>
{NS1,PLG,LMNA,KMT2A,MEN1,RECQL,THRB,PLAT,LPA,GPR84,NPSR1,BLM,NFKB1,SLC6A1}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Other nuclear protein","Epigenetic regulator","Transcription factor",Protease,Reader,"Nuclear receptor","Serine protease",Bromodomain,"Nuclear hormone receptor subfamil
y 1","Serine protease PA clan","Nuclear hormone receptor subfamily 1 group A","Serine protease S1A subfamily","Nuclear hormone receptor subfamily 1 group A member 2","Membrane receptor","Family A G pr
otein-coupled receptor","Other cytosolic protein",Transporter,"Electrochemical transporter","Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Short peptide receptor (family A GP
CR)","SLC06 neurotransmitter transporter family","Neuropeptide receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","Nuclear hormone receptors","PA: Serine (S) Peptidases","1A. Thyroid hormone receptors","S1: Chymotrypsin","G protein-coupled receptors","Orphan and oth
er 7TM receptors","Class A Orphans",Transporters,"SLC superfamily of solute carriers","Neuropeptide S receptor","SLC6 neurotransmitter transporter family","GABA transporter subfamily"}

> <pathway_reactome>
{Hemostasis,"Cell Cycle","Metabolism of proteins","Signal Transduction","Transport of small molecules","Platelet activation","signaling and aggregation",Mitotic,"Post-translational protein modificatio
n","Signaling by Receptor Tyrosine Kinases","Plasma lipoprotein assembly",remodeling,"and clearance","Response to elevated platelet cytosolic Ca2+","M Phase",SUMOylation,"Signaling by PDGF","Plasma li
poprotein remodeling","Platelet degranulation","Mitotic Metaphase and Anaphase","SUMO E3 ligases SUMOylate target proteins","LDL remodeling","Mitotic Anaphase","SUMOylation of intracellular receptors"
,"Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation",Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory r
esponse favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production","DNA Repair","Immune System","Neuronal System","DNA Double-Strand Break Repair","Cytokine Sig
naling in Immune system","Transmission across Chemical Synapses","Homology Directed Repair","Signaling by Interleukins","Neurotransmitter release cycle","HDR through Homologous Recombination (HRR) or 
Single Strand Annealing (SSA)","Interleukin-1 family signaling","GABA synthesis",release,"reuptake and degradation","HDR through Homologous Recombination (HRR)","Interleukin-1 signaling","Reuptake of 
GABA","Homologous DNA Pairing and Strand Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{LPA,PLAT,PLG}

> <broad_moa>
{"plasminogen activator inhibitor"}

> <synonyms>
{"AMINOCAPROIC ACI","6-aminohexanoic acid","6aminohexanoic acid","6-Aminocaproic acid","6Aminocaproic acid","aminocaproic acid",60-32-2,60322,amicar,"Hexanoic acid, 6-amino-","Hexanoic acid, 6amino",E
ACA,Epsikapron,Capramol,Caprocid,Epsamon,"EPSILON-AMINOCAPROIC ACID","EPSILONAMINOCAPROIC ACID",Acepramin,Caprolisin,Epsicapron,Hemocaprol,Respramin,Amik,T0881}

> <pdid>
PD002819

> <targets>
{Plasminogen}

> <classes>
{Others}

> <pubchem_cids>
{564}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 12  0  0  1  0            999 V2000
   -2.2322    1.5121    0.0000 C   0  0
   -3.2310    0.3930    0.0000 C   0  0
   -4.6860    0.7580    0.0000 C   0  0
   -3.2310   -1.9430    0.0000 C   0  0  2  0  0  0
   -4.5628   -2.3141    0.0000 C   0  0
   -3.8642   -1.1134    0.0000 C   0  0
   -2.4451   -0.7641    0.0000 C   0  0  2  0  0  0
   -2.4728   -2.2638    0.0000 C   0  0
   -1.2226   -1.1134    0.0000 C   0  0
    0.1650   -0.5436    0.0000 O   0  0
   -1.8993   -2.3141    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  1
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11793

> <plate>
PLATE 011

> <well>
E3

> <supplier_cmpd_name>
D-Camphor

> <ctcr_id>
2838

> <supplier_cmpd_id>
T0882

> <smiles>
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2

> <pd_targets>
{TRPV1,TRPV3,TRPA1,TRPM8,ALDH1A1,LMNA,ACHE,CAMC,MAPT,RORC}

> <pathway_gtopdb>
{"Ion channel","Voltage-gated ion channel","Transient receptor potential channel",Enzyme,"Other nuclear protein",Oxidoreductase,Hydrolase,"Cytochrome P450","Cytochrome P450 CAM family","Other cytosoli
c protein","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Transient Receptor Potential channels",Enzymes,"Acetylcholine turnover",Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Transport of small molecules","Ion channel transport","Stimuli-sensing channels","TRP channels",Metabolism,"Cell Cycle","Biological oxidations",Mitotic,"Metabolism of lipids","Phase I - Functionaliz
ation of compounds","M Phase","Phospholipid metabolism","Ethanol oxidation","Mitotic Metaphase and Anaphase","Glycerophospholipid biosynthesis","Mitotic Anaphase","Synthesis of PC","Nuclear Envelope (
NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation","Neuronal System","Gene expression (Transcription)","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Neurotr
ansmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Post NMDA recept
or activation events","RUNX3 Regulates Immune Response and Cell Migration","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{TRPV1}

> <broad_moa>
{"TRPV activator"}

> <synonyms>
{D-CAMPHOR,DCAMPHOR,(+)-Camphor,(+)Camphor,(R)-Camphor,(R)Camphor,(R)-(+)-Camphor,(R)(+)Camphor,464-49-3,464493,"(1R,4R)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one","(1R,4R)1,7,7trimethylbicyclo(2.2.1)
heptan2one",(1R)-(+)-Camphor,(1R)(+)Camphor,(+)-Bornan-2-one,(+)Bornan2one,DL-Camphor,DLCamphor,"(1R,4R)-camphor","(1R,4R)camphor",Camphor(D),"Camphor (1R)",Camphora,d-2-Bornanone,d2Bornanone,(+)-2-Bo
rnanone,(+)2Bornanone,T0882,T2952,TMS2262,1500156,D-Camphor,Camphor,(-)-CAMPHOR,"CAMPHOR (1R)"}

> <pdid>
PD002447

> <targets>
{Influenza Virus,TRP Channel}

> <classes>
{analgesic,antiinfective,antipruritic,Anti-infection,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{159055}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 22  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 C   0  0
   22.0998    0.7500    0.0000 C   0  0
   23.3998    0.0000    0.0000 C   0  0
   24.6998    0.7500    0.0000 C   0  0
   25.9998    0.0000    0.0000 C   0  0
   27.2998    0.7500    0.0000 C   0  0
   28.5991    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11794

> <plate>
PLATE 011

> <well>
E4

> <supplier_cmpd_name>
Behenic alcohol

> <ctcr_id>
1405

> <supplier_cmpd_id>
T0884

> <smiles>
CCCCCCCCCCCCCCCCCCCCCCO

> <pd_targets>
{GB,GC,GD,GE,GG,GH,GI,GJ,GK,GL,GM,GN,LMNA,KMT2A,MEN1,FTL,ALDH1A1,HSD17B10,GJB4,GJE1,GJB7,GJD4,GJB2,GJA1,GJC1,GJB6,GJC3,GJA3,GJC2,GJA8,GJA9,GJA10,GJB3,GJB5,GJD3,GJB1,GJD2,GJA4,GJA5}

> <pathway_gtopdb>
{"Surface antigen","Other nuclear protein","Epigenetic regulator",Reader,Bromodomain,"Unclassified protein",Enzyme,Oxidoreductase}

> <pathway_chembl>
{"Ion channels","Other ion channels","Connexins and Pannexins"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation","Vesicle-mediated transport","M
embrane Trafficking","trans-Golgi Network Vesicle Budding","Golgi Associated Vesicle Biogenesis",Metabolism,"Biological oxidations","Metabolism of amino acids and derivatives","Phase I - Functionaliza
tion of compounds","Branched-chain amino acid catabolism","Gap junction trafficking and regulation","Ethanol oxidation","Gap junction trafficking","Gap junction assembly","Oligomerization of connexins
 into connexons","Transport of connexons to the plasma membrane","Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane"}

> <broad_targets>
{GJA1,GJA10,GJA3,GJA4,GJA5,GJA8,GJA9,GJB1,GJB2,GJB3,GJB4,GJB5,GJB6,GJB7,GJC1,GJC2,GJC3,GJD2,GJD3,GJD4,GJE1}

> <broad_moa>
{}

> <synonyms>
{1-DOCOSANOL,1DOCOSANOL,Docosanol,docosan-1-ol,docosan1ol,"Behenyl alcohol",661-19-8,661198,"Behenic alcohol",Abreva,n-Docosanol,nDocosanol,"Docosyl alcohol",Tadenan,Lidavol,"Lanette 22",Lidakol,"Sten
ol 1822","Stenol 1822A","Docosanol (USAN)","Nacol 22-97","Nacol 2297","IK 2","NAA 422","NSC 8407",3,T0884,T3761,T3252,T3764,1505729,1-Octacosanol,Triacontanol,Miraculan,DOCOSANOL}

> <pdid>
PD000308

> <targets>
{}

> <classes>
{antiviral}

> <pubchem_cids>
{12620}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    7.7471   -4.0806    0.0000 C   0  0
    6.2556   -4.2405    0.0000 C   0  0
    5.5083   -5.5411    0.0000 O   0  0
    4.0404   -5.2322    0.0000 N   0  0
    3.8995   -3.7516    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    3.8982   -2.2498    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2496   -3.1278    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  5 17  1  0
 17  2  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11795

> <plate>
PLATE 011

> <well>
E5

> <supplier_cmpd_name>
Sulfamethoxazole

> <ctcr_id>
2756

> <supplier_cmpd_id>
T0885

> <smiles>
Cc1onc(N[S](=O)(=O)c2ccc(N)cc2)c1

> <pd_targets>
{RECD,EDNRA,POL,FOLP,ALDH1A1,MAPT}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein",Oxidoreductase,"Family A G protein-coupled receptor",Protease,Transferase,"Peptide receptor (family A GPCR)","Aspartic protease","Short peptide re
ceptor (family A GPCR)","Aspartic protease AA clan","Endothelin receptor","Aspartic protease A2A subfamily"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Endothelin receptors"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Neuronal System","Signaling by GPCR","Biological oxidations","Transmission across Chemical Synapses","GPCR ligand binding","Phase I - Functionalization of compounds"
,"Neurotransmitter receptors and postsynaptic signal transmission","Class A/1 (Rhodopsin-like receptors)","Ethanol oxidation","Activation of NMDA receptors and postsynaptic events","Peptide ligand-bin
ding receptors","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{"PABA antagonist"}

> <synonyms>
{Sulpha-methoxizole,Sulphamethoxizole,Bactrim,Sulfamethalazole,sulfamethoxazole,723-46-6,723466,Sulphamethoxazole,Gantanol,Sulfisomezole,Sulfamethoxazol,Metoxal,4-Amino-N-(5-methyl-3-isoxazolyl)benzen
esulfonamide,4AminoN(5methyl3isoxazolyl)benzenesulfonamide,Sulfamethylisoxazole,Simsinomin,Radonil,Sinomin,Sul,T0885,SAM002554930,1500550,Prestw-177,Sulfamethoxazole,CPD000058223,SULFAMETHOXAZOLE}

> <pdid>
PD001746

> <targets>
{}

> <classes>
{antipneumocystis,antibacterial}

> <pubchem_cids>
{5329}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 12  0  0  1  0            999 V2000
    7.5987    0.0016    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
    5.0987    0.0016    0.0000 H   0  3
  3  2  1  6
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  7 10  1  0
 10 11  1  6
 10 12  1  0
 12  3  1  0
 12 13  1  1
M  CHG  2   1  -1  14   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11796

> <plate>
PLATE 011

> <well>
E6

> <supplier_cmpd_name>
D(+)-Glucose

> <ctcr_id>
4298

> <supplier_cmpd_id>
T0887

> <smiles>
[Cl-].N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.[H+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{IL1B}

> <broad_moa>
{"glycosylated protein precursor"}

> <synonyms>
{"glu-cosamine hydrochloride","glucosamine hydrochloride","3h-glucosamine hydrochloride","3hglucosamine hydrochloride",SCHEMBL21212,SPECTRUM1500316,HMS1920B13,Pharmakon1600-01500316,Pharmakon160001500
316,CCG-39600,CCG39600,NSC757051,NSC-757051,T4869,T4884,T0591,T0887,T4812,T0592,1500316,D-(+)-ALLOSE,±-D-Glucose,Alpha-D-galactose,D(+)-Glucose,D-Mannose,Mannose,"GLUCOSAMINE HYDROCHLORIDE"}

> <pdid>
PD159046

> <targets>
{Endogenous Metabolite}

> <classes>
{antiarthritic,Metabolic Enzyme/Protease}

> <pubchem_cids>
{9859210,11031243}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11797

> <plate>
PLATE 011

> <well>
E7

> <supplier_cmpd_name>
4-Biphenylacetic acid

> <ctcr_id>
5644

> <supplier_cmpd_id>
T0888

> <smiles>
OC(=O)Cc1ccc(cc1)c2ccccc2

> <pd_targets>
{CASP9,TSHR,GAA,CASP1,LMNA,CASP3,HTT,CASP5,CASP4,PTGS1,ABCC4}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Unclassified protein",Transporter,Protease,"Family A G protein-coupled receptor",Hydrolase,Oxidoreductase,"Primary active transporter","Cysteine pr
otease","Peptide receptor (family A GPCR)","ATP-binding cassette","Cysteine protease CD clan","Glycohormone receptor","ABCC subfamily","Cysteine protease C14 family","Cysteine protease C14A subfamily"
}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Peptidases and proteinases","G protein-coupled receptors","3.2.1.- Glycosidases","Eicosanoid turnover","ATP-binding cassette transporter family","CD: Cysteine (C) Pept
idases","Glycoprotein hormone receptors",Cyclooxygenase,"ABCC subfamily","C14: Caspase"}

> <pathway_reactome>
{"Programmed Cell Death",Disease,"Gene expression (Transcription)","Cell Cycle","Immune System",Metabolism,Hemostasis,Apoptosis,"Infectious disease","Diseases of metabolism","RNA Polymerase II Transcr
iption",Mitotic,"Innate Immune System","Metabolism of lipids","Platelet activation","signaling and aggregation","Intrinsic Pathway for Apoptosis","Leishmania infection","Diseases of carbohydrate metab
olism","Generic Transcription Pathway","M Phase","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Fatty acid metabolism","Response to elevated platelet c
ytosolic Ca2+","Apoptotic factor-mediated response","Leishmania parasite growth and survival","Glycogen storage diseases","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Transcr
iptional Regulation by MECP2","NOD1/2 Signaling Pathway","Arachidonic acid metabolism","Platelet degranulation","Cytochrome c-mediated apoptotic response","Anti-inflammatory response favouring Leishma
nia parasite infection","Glycogen storage disease type II (GAA)","TP53 Regulates Transcription of Cell Death Genes","Mitotic Anaphase","Regulation of MECP2 expression and activity","Synthesis of Prost
aglandins (PG) and Thromboxanes (TX)","Formation of apoptosome","ADORA2B mediated anti-inflammatory cytokines production","TP53 Regulates Transcription of Caspase Activators and Caspases","Nuclear Env
elope (NE) Reassembly","Activation of caspases through apoptosome-mediated cleavage","Regulation of the apoptosome activity","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CTSL}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{"4-BIPHENYLACETIC ACID","4BIPHENYLACETIC ACID",felbinac,5728-52-9,5728529,"4-Biphenylylacetic acid","4Biphenylylacetic acid",Traxam,Dolinac,"biphenyl-4-ylacetic acid","biphenyl4ylacetic acid",4-Carbo
xymethylbiphenyl,4Carboxymethylbiphenyl,Napageln,"(1,1'-Biphenyl)-4-acetic acid","(1,1'Biphenyl)4acetic acid","2-(4-phenylphenyl)acetic acid","2(4phenylphenyl)acetic acid","p-Biphenylylacetic acid","p
Biphenylylacetic acid",Seltouch,Bi,T0888,Prestw-893,"4-Biphenylacetic acid",Felbinac}

> <pdid>
PD000177

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3332}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -3.8939    0.7546    0.0000 C   0  0
   -5.1904    1.5090    0.0000 C   0  0
   -6.4920    0.7635    0.0000 C   0  0
   -6.4971   -0.7365    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0
   -5.2090   -2.9918    0.0000 C   0  0
   -3.9139   -3.7485    0.0000 O   0  0
   -6.5117   -3.7354    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
  6 17  2  0
 17  2  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11798

> <plate>
PLATE 011

> <well>
E8

> <supplier_cmpd_name>
Mefenamic acid

> <ctcr_id>
4285

> <supplier_cmpd_id>
T0890

> <smiles>
Cc1cccc(Nc2ccccc2C(O)=O)c1C

> <pd_targets>
{HIF1A,CYP3A4,RORC,AKR1C1,NLRP3,PTGS2,ABCB11,AKR1C2,PTGS1,AKR1B10,AKR1B1,AKR1C3,MPO,TDP1,CYP1A2,NAPRT,KMT2A,MEN1,ACHE,LMNA,CYP2C9,TRPA1,KCNQ1,TRPM3}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein",Transporter,"Epigenetic regulator","Other nuclear protein","Ion channel","Cytochrome P450","Nuclear receptor",Oxidoreductase,"Primary active trans
porter",Hydrolase,Ligase,Reader,"Voltage-gated ion channel","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","ATP-binding cassette","Cytochrome P450 family 1",Bromodomain,"Cytochrome 
P450 family 2","Transient receptor potential channel","Potassium channels","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","ABCB subfamily","Cytochrome P450 family 1A","Cyto
chrome P450 family 2C","Voltage-gated potassium channel","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","Nuclear hormone receptors","Catalytic receptors","Eicosanoid turnover","ATP-binding cassette transporter family","1.-.-.- Oxidoreducta
ses","Acetylcholine turnover","Voltage-gated ion channels","CYP3 family","1F. Retinoic acid-related orphans","Pattern recognition receptors",Cyclooxygenase,"ABCB subfamily","Prostaglandin synthases","
CYP1 family","CYP2 family: drug metabolising subset","Transient Receptor Potential channels","Potassium channels","NOD-like receptor family","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"Gene expression (Transcription)",Disease,"Immune System","DNA Repair","Cell Cycle","Transport of small molecules","Muscle contraction","Cellular r
esponses to stress","Metabolism of lipids","RNA Polymerase II Transcription","Infectious disease","Metabolism of vitamins and cofactors","Innate Immune System","DNA Double-Strand Break Repair","Biolog
ical oxidations",Mitotic,"Ion channel transport","Cardiac conduction","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","Metabo
lism of steroids","Leishmania infection","Fatty acid metabolism","Metabolism of fat-soluble vitamins","ROS and RNS production in phagocytes","Nonhomologous End-Joining (NHEJ)","Phase I - Functionaliza
tion of compounds","Metabolism of water-soluble vitamins and cofactors","Phospholipid metabolism","M Phase","Stimuli-sensing channels","Phase 2 - plateau phase","Oxygen-dependent proline hydroxylation
 of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","Cell recruitment (pro-inflammatory response)","Biosyn
thesis of DPA-derived SPMs","Arachidonic acid metabolism","Retinoid metabolism and transport","Metabolism of steroid hormones","Events associated with phagocytolytic activity of PMN cells","Cytochrome
 P450 - arranged by substrate type","Nicotinate metabolism","Glycerophospholipid biosynthesis","Mitotic Metaphase and Anaphase","TRP channels","Biosynthesis of maresins","RUNX3 Regulates Immune Respon
se and Cell Migration","Synthesis of bile acids and bile salts","Purinergic signaling in leishmaniasis infection","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)"
,"Pregnenolone biosynthesis",Xenobiotics,"Nicotinamide salvaging","Synthesis of PC","Mitotic Anaphase","Biosynthesis of maresin-like SPMs","Synthesis of bile acids and bile salts via 24-hydroxycholest
erol","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","I
nitiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{KCNQ1,PTGS1,PTGS2,TRPM3}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{61-68-7,61687,Ponstel,"2-((2,3-dimethylphenyl)amino)benzoic acid","2((2,3dimethylphenyl)amino)benzoic acid",Ponstan,"Mephenamic acid","2-((2,3-Dimethylphenyl)amino)benzoic acid","2((2,3Dimethylphenyl
)amino)benzoic acid",Parkemed,Coslan,Mefacit,Ponalar,"Methenamic acid","Mephenaminic acid",Mefenaminsaeure,Bonab,T0890,SAM002554908,1501103,Prestw-54,"Mefenamic acid",CPD000058188,"MEFENAMIC ACID"}

> <pdid>
PD001903

> <targets>
{}

> <classes>
{analgesic,antiinflammatory}

> <pubchem_cids>
{4044}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5986    0.0004    0.0000 O   0  0
   -2.5998    3.0012    0.0000 C   0  0
   -3.8993    3.7504    0.0000 C   0  0
   -3.9002    5.2504    0.0000 C   0  0
   -2.6017    6.0012    0.0000 C   0  0
   -2.6026    7.5012    0.0000 N   0  0
   -1.3022    5.2521    0.0000 C   0  0
   -1.3012    3.7521    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11799

> <plate>
PLATE 011

> <well>
E9

> <supplier_cmpd_name>
Sulphadione

> <ctcr_id>
3747

> <supplier_cmpd_id>
T0891

> <smiles>
Nc1ccc(cc1)[S](=O)(=O)c2ccc(N)cc2

> <pd_targets>
{LMNA,CYP3A4,TSHR,MPO,PPPK-DHPS,HTR6,FOLP1,FOLP2}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Membrane receptor","Unclassified protein","Cytochrome P450","Family A G protein-coupled receptor",Oxidoreductase,Transferase,"Cytochrome P450 family 3","Peptide recept
or (family A GPCR)","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3A","Glycohormone receptor","Monoamine receptor","Cytochrome P450 3A4","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","1.-.-.- Oxidoreductases","CYP3 family","Glycoprotein hormone receptors","5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,"Immune System",Mitotic,"Metabolism of lipids","Infectious disease","Innate Immune System","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Leish
mania infection","ROS and RNS production in phagocytes","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Events associated with phagocytol
ytic activity of PMN cells","Mitotic Anaphase","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Nuclear Envelope (NE) Reassembly","Biosynthesis of mares
in-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{DHFR}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{80-08-0,80080,"4,4'-Sulfonyldianiline","4,4'Sulfonyldianiline","4,4'-Diaminodiphenyl sulfone","4,4'Diaminodiphenyl sulfone",Diaphenylsulfone,"4-Aminophenyl sulfone","4Aminophenyl sulfone",Dapson,"4,4
'-Diaminodiphenylsulfone","4,4'Diaminodiphenylsulfone",Diaphenylsulfon,Sulfona,DADPS,"Bis(4-aminophenyl) sulfone","Bis(4aminophenyl) sulfone",Avlosulfone,Diphenasone,Sulfadion,T0891,SAM002554879,15002
22,Prestw-35,Sulphadione,CPD000059064,DAPSONE,Dapsone}

> <pdid>
PD002394

> <targets>
{Antibiotic,Bacterial,Parasite,Reactive Oxygen Species}

> <classes>
{leprostatic,dermatitis herpetiformis suppressant,antibacterial,Anti-infection,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{2955}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.6608   -1.8315    0.0000 O   0  0
   -5.1253   -4.3743    0.0000 C   0  0
   -6.5929   -4.6844    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 10 16  1  0
 16  7  2  0
 16 17  1  0
 17  2  1  0
 17 18  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11800

> <plate>
PLATE 011

> <well>
E10

> <supplier_cmpd_name>
Diprophylline

> <ctcr_id>
4616

> <supplier_cmpd_id>
T0892

> <smiles>
CN1C(=O)N(C)c2ncn(CC(O)CO)c2C1=O

> <pd_targets>
{AMPC,PDE3A,PDE4A,PDE4B,PDE4C,PDE4D,ADORA1,ADORA2A,LMNA}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein",Hydrolase,Phosphodiesterase,"Family A G protein-coupled receptor","Phosphodiesterase 3","Phosphodiesterase 4","Small molecule receptor (family A GPC
R)","Phosphodiesterase 3A","Phosphodiesterase 4A","Phosphodiesterase 4B","Phosphodiesterase 4C","Phosphodiesterase 4D","Nucleotide-like receptor (family A GPCR)","Adenosine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cyclic nucleotide turnover/signalling","G protein-coupled receptors",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Adenosine receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Cell Cycle","Signaling by GPCR","Infectious disease",Mitotic,"GPCR downstream signalling","GPCR ligand binding","Leishmania infection","M Phase","G alpha (s) signalling
 events","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Opioid Signalling","Nucleotide-like (puriner
gic) receptors","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","DARPP-32 events","Adenosine P1 receptors","ADORA2B mediated anti-inflammatory cytokines product
ion","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{PDE4A}

> <broad_moa>
{"adenosine receptor antagonist","phosphodiesterase inhibitor"}

> <synonyms>
{dyphylline,Diprophylline,479-18-5,479185,"7-(2,3-Dihydroxypropyl)theophylline","7(2,3Dihydroxypropyl)theophylline",Diphylline,Lufyllin,Neothylline,Diprophyllin,Glyphylline,Aristophyllin,Diprofilline,
Dipropylline,Neutrafillina,Neutraphyllin,Neutraphylline,Neutroxantina,Propy,T0892,1500269,Prestw-33,DYPHYLLINE}

> <pdid>
PD002354

> <targets>
{}

> <classes>
{bronchodilator,"PDE inhibitor",vasodilator}

> <pubchem_cids>
{3182}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    2.1621   -7.4180    0.0000 C   0  0
    1.2830   -6.2026    0.0000 C   0  0
    1.8954   -4.8324    0.0000 S   0  0
    3.3874   -4.6783    0.0000 O   0  0
    2.7751   -6.0474    0.0000 O   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    2.6401    0.8578    0.0000 C   0  0
    0.0000    1.2760    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6332   -2.2426    0.0000 N   0  3
   -1.0255   -3.6140    0.0000 O   0  5
   -3.1247   -2.0836    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
M  CHG  2  14   1  15  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11801

> <plate>
PLATE 011

> <well>
E11

> <supplier_cmpd_name>
Tinidazole

> <ctcr_id>
6469

> <supplier_cmpd_id>
T0893

> <smiles>
CC[S](=O)(=O)CCn1c(C)ncc1[N+]([O-])=O

> <pd_targets>
{LMNA}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"antiprotozoal agent"}

> <synonyms>
{RESTW76,tinidazole,19387-91-8,19387918,Tindamax,Fasigyn,1-(2-(Ethylsulfonyl)ethyl)-2-methyl-5-nitro-1H-imidazole,1(2(Ethylsulfonyl)ethyl)2methyl5nitro1Himidazole,Trimonase,Tinidazolum,1-(2-ethylsulfo
nylethyl)-2-methyl-5-nitroimidazole,1(2ethylsulfonylethyl)2methyl5nitroimidazole,"1H-Imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-5-nitro-","1HImidazole, 1(2(ethylsulfonyl)ethyl)2methyl5nitro",timid
azole,UNI,T0893,SAM001246913,1502127,Prestw-766,Tinidazole,CPD000058194,TINIDAZOLE}

> <pdid>
PD001375

> <targets>
{}

> <classes>
{antiprotozoal}

> <pubchem_cids>
{5479}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 19  0  0  0  0            999 V2000
   10.0987    3.7983    0.0000 H   0  3
    7.5987    3.7983    0.0000 Cl  0  5
    5.0987    3.7983    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 N   0  3
   -1.3786    3.8595    0.0000 C   0  0
   -1.8372    5.2877    0.0000 S   0  0
   -3.3372    5.2929    0.0000 C   0  0
   -4.2111    6.5099    0.0000 C   0  0
   -3.5939    7.8779    0.0000 C   0  0
   -4.4689    9.0963    0.0000 O   0  0
   -3.8056    3.8679    0.0000 C   0  0
   -5.2311    3.4009    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 13 17  2  0
 17 10  1  0
 17 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  2  0
 21  5  1  0
M  CHG  4   1   1   2  -1   3  -1  10   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11802

> <plate>
PLATE 011

> <well>
F2

> <supplier_cmpd_name>
Thiamine hydrochloride

> <ctcr_id>
1649

> <supplier_cmpd_id>
T0894

> <smiles>
[H+].[Cl-].[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1

> <pd_targets>
{ALD,AMPC,TGR,CA1,THIB,HSP90AA1,CA2,CA6,TPK1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Hydrolase,Lyase,Transferase}

> <pathway_chembl>
{Enzymes,"Other protein targets","Carbonic anhydrases","Heat shock proteins"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Transport of small molecules",Metabolism,"Cytokine Signaling in Immune system",Mitotic,"O2/CO2 exchange in erythrocytes","Reversible hydration of carbon dioxide","Metabo
lism of vitamins and cofactors","Signaling by Interleukins","Mitotic G2-G2/M phases","Erythrocytes take up carbon dioxide and release oxygen","Metabolism of water-soluble vitamins and cofactors","Inte
rleukin-12 family signaling","G2/M Transition","Vitamin B1 (thiamin) metabolism","Interleukin-12 signaling","Centrosome maturation","Gene and protein expression by JAK-STAT signaling after Interleukin
-12 stimulation","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{SLC19A2,SLC19A3,TPK1}

> <broad_moa>
{"vitamin B"}

> <synonyms>
{"vitamin B1",AKOS015896335,"THIAMINE HYDROCHLORIDE",67-03-8,67038,"Aneurine hydrochloride","Thiamine HCL","Vitamin B1 hydrochloride","Thiamine chloride hydrochloride","Betalin S","Thiamine dichloride
",Beatine,Begiolan,Benerva,Bethiazine,T0894,Prestw-631,"Thiamine hydrochloride"}

> <pdid>
PD010200

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{46856306,6202,517305}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 36  0  0  1  0            999 V2000
    7.6961    2.6232    0.0000 Cl  0  0
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0  1  0  0  0
    3.8971    0.7500    0.0000 O   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
   -3.8976   -0.7554    0.0000 N   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 O   0  0
    2.5980    6.0000    0.0000 C   0  0
    2.5980    7.5000    0.0000 C   0  0
    1.2990    8.2500    0.0000 O   0  0
    3.8971    8.2500    0.0000 C   0  0
    5.1961    7.5000    0.0000 C   0  0
    5.1961    6.0000    0.0000 C   0  0
    3.8971    5.2500    0.0000 C   0  0
    3.8971    3.7500    0.0000 C   0  0  2  0  0  0
    3.8617    2.2505    0.0000 C   0  0
    5.1782    4.5303    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  5  3  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 11 13  1  0
 13  6  1  0
 13 14  1  6
 13 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  3
 18  5  1  0
 18 19  1  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 10 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 25  1  0
 31 32  1  0
 32  9  1  0
 32 33  1  6
 32 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11803

> <plate>
PLATE 011

> <well>
F3

> <supplier_cmpd_name>
Oxytetracycline

> <ctcr_id>
3347

> <supplier_cmpd_id>
T0895

> <smiles>
Cl.CN(C)[C@H]1C2[C@@H](O)C3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{oxytetracycline,Terramycin,Oxyterracine,Oxytetracyclin,Oxymycin,Terrafungine,79-57-2,79572,Oxyterracin,Oxitetraciclina,Oxitetracyclin,Adamycin,Biostat,Geomycin,Ryomycin,Oxitetracyclinum,Oxytetracycli
num,"Oxytetracycline (anhydrous)",Oxyterracyne,1500457,OXYTETRACYCLINE}

> <pdid>
PD009901

> <targets>
{Antibiotic,Bacterial,Endogenous Metabolite,HSV}

> <classes>
{antibacterial,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{54675779}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 25  0  0  0  0            999 V2000
   16.0781   -4.7119    0.0000 H   0  3
   13.5781   -4.7119    0.0000 Cl  0  5
   11.0776   -8.4565    0.0000 O   0  5
    9.9576   -9.4543    0.0000 N   0  3
   10.2623  -10.9231    0.0000 O   0  0
    8.5353   -8.9835    0.0000 C   0  0
    8.0767   -7.5553    0.0000 O   0  0
    6.5895   -7.5678    0.0000 C   0  0
    6.1083   -8.9751    0.0000 C   0  0
    7.3187   -9.8610    0.0000 C   0  0
    5.7090   -6.3524    0.0000 C   0  0
    4.2161   -6.5063    0.0000 N   0  0
    3.3372   -5.2929    0.0000 N   0  0
    3.8056   -3.8679    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3786   -3.8595    0.0000 O   0  0
    1.8372   -5.2877    0.0000 C   0  0
    0.9513   -6.4982    0.0000 O   0  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 15 23  1  0
 23 24  1  0
 24 13  1  0
 24 25  2  0
M  CHG  4   1   1   2  -1   3  -1   4   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11804

> <plate>
PLATE 011

> <well>
F4

> <supplier_cmpd_name>
Furaltadone hydrochloride

> <ctcr_id>
7

> <supplier_cmpd_id>
T0896

> <smiles>
[H+].[Cl-].[O-][N+](=O)c1oc(cc1)/C=N/N2CC(CN3CCOCC3)OC2=O

> <pd_targets>
{MAPK9,AMPC}

> <pathway_gtopdb>
{Enzyme,Kinase,Hydrolase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase JNK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","JNK subfamily"}

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 5 (TLR5) Cascade","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear 
events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA inhibitor"}

> <synonyms>
{AKOS015915054,"Furaltadone hydrochloride","Furaltadone HCl",3759-92-0,3759920,"Furasol hydrochloride","Furaltadone (hydrochloride)","NF-902 hydrochloride","NF902 hydrochloride",3031-51-4,3031514,2818
-22-6,2818226,NF-260,NF260,"NSC 53270",C13H16N4O6.ClH,"CCRIS 1041",SR-0100083885,SR0100083885,T0896,S4203,Prestw-764}

> <pdid>
PD000285

> <targets>
{Bacterial}

> <classes>
{Anti-infection}

> <pubchem_cids>
{45489813,9576185}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
   -0.2091   -6.3568    0.0000 N   0  0
    1.2830   -6.2026    0.0000 C   0  0
    2.1621   -7.4180    0.0000 O   0  0
    1.8954   -4.8324    0.0000 N   0  0
    1.0157   -3.6164    0.0000 N   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -0.0031    2.7742    0.0000 N   0  3
    1.2946    3.5265    0.0000 O   0  5
   -1.3033    3.5223    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  2  0
  9 12  1  0
 12 13  1  0
 12 14  2  0
M  CHG  2  12   1  13  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11805

> <plate>
PLATE 011

> <well>
F5

> <supplier_cmpd_name>
Furacilin

> <ctcr_id>
6585

> <supplier_cmpd_id>
T0897

> <smiles>
NC(=O)N/N=C/c1oc(cc1)[N+]([O-])=O

> <pd_targets>
{ALDH1A1,LMNA,RORC,TP53,CYP3A4,KDM4E,TGR,GOR}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Epigenetic regulator",Oxidoreductase,"Nuclear receptor","Cytochrome P450",Eraser,"Nuclear hormone receptor subfamily 1","Cytochrome P450 family 
3","Lysine demethylase","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 
3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","Chromatin modifying enzymes","1F. Retinoic acid-related orphans","CYP3 family","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Gene expression (Transcription)","Biological oxidations",Mitotic,"RNA Polymerase II Transcription","Cell Cycle Checkpoints","Metabolism of lipids","Phase I - Functionalizatio
n of compounds","M Phase","Generic Transcription Pathway","G1/S DNA Damage Checkpoints","Biosynthesis of specialized proresolving mediators (SPMs)","Ethanol oxidation","Mitotic Metaphase and Anaphase"
,"Transcriptional regulation by RUNX3","p53-Dependent G1/S DNA damage checkpoint","Biosynthesis of DHA-derived SPMs","Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","p53-Depend
ent G1 DNA Damage Response","Biosynthesis of maresins","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","
Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA inhibitor"}

> <synonyms>
{nitrofurazone,Nitrofural,Furacilin,59-87-0,59870,Furacin,Furacillin,Actin-N,ActinN,Aldomycin,Furacine,Furaldon,Nifuzon,"5-Nitro-2-furaldehyde semicarbazone","5Nitro2furaldehyde semicarbazone",Babroci
d,Chemofuran,Furacinetten,Furacoccid,Furacycline,Furaziline,Furazone,Mastofuran,Monafuracin,N,T0897,1500434,Prestw-492,NITROFURAZONE}

> <pdid>
PD001837

> <targets>
{}

> <classes>
{"antiinfective (topical)"}

> <pubchem_cids>
{5447130}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
  9 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11806

> <plate>
PLATE 011

> <well>
F6

> <supplier_cmpd_name>
Chloroxylenol

> <ctcr_id>
6304

> <supplier_cmpd_id>
T0898

> <smiles>
Cc1cc(O)cc(C)c1Cl

> <pd_targets>
{CYP3A4,ALD,ALOX15,FTL,MAOA,HTR2B}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor","Cytochrome P450",Oxidoreductase,"Family A G protein-coupled receptor","Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Cytochro
me P450 family 3A","Monoamine receptor","Cytochrome P450 3A4","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Eicosanoid turnover","Catecholamine turnover","G protein-coupled receptors","CYP3 family",Lipoxygenases,"5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{Metabolism,"Vesicle-mediated transport","Signal Transduction","Metabolism of lipids","Membrane Trafficking","Biological oxidations","Signaling by GPCR","Biosynthesis of specialized proresolving media
tors (SPMs)","trans-Golgi Network Vesicle Budding","Phase I - Functionalization of compounds","GPCR ligand binding","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Golgi Associa
ted Vesicle Biogenesis","Amine Oxidase reactions","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of maresins","Biosynthesis of DPAn-3 SPMs","Biogenic amines are oxidatively deaminated to aldehyd
es by MAOA and MAOB","Amine ligand-binding receptors","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Serotonin receptors"}

> <broad_targets>
{}

> <broad_moa>
{"ATP synthase inhibitor"}

> <synonyms>
{"4-Chloro-3,5-dimethylphenol",88-04-0,"4-Chloro-3,5-xylenol",Dettol,PCMX,Benzytol,p-Chloro-m-xylenol,2-Chloro-m-xylenol,4-Chloro-m-xylenol,"Phenol, 4-chloro-3,5-dimethyl-",Ottasept,Desson,Espadol,Chl
oro-xylenol,"Ottasept Extra","Husept Extra","p-Chloro-3,5-xylenol","Willenol V","3,5-Dimethyl-4-chlorophenol",parachlorometaxylenol,Septiderm-Hydrochloride,Chloroxylenolum,Cloroxilenol,2-Chloro-5-hydr
oxy-m-xylene,"Dettol, liquid antiseptic","Nipacide MX",Parametaxylenol,"RBA 777","2-Chloro-5-hydroxy-1,3-dimethylbenzene","4-Chloro-1-hydroxy-3,5-dimethylbenzene","3,5-Xylenol, 4-chloro-","NSC 4971",U
NII-0F32U78V2Q,"4-chloro-3,5-dimethyl-phenol","4-Chloro-3, 5-xylenol",Chlorxylenolum,CHEBI:34393,NSC4971,0F32U78V2Q,"4-Chloro-3,5-dimethylphenol;PCMX","4-Chloro-3,5-dimethylphenol, 99",MFCD00002324,NC
GC00094614-03,Clorossilenolo,DSSTox_CID_12316,DSSTox_RID_78913,DSSTox_GSID_32316,"Caswell No. 218","Clorossilenolo (DCIT)",Vionexus,CAS-88-04-0,"Cloroxilenol (INN-Spanish)","Camel (pesticide)","Chloro
xylenolum (INN-Latin)","HSDB 7427","EINECS 201-793-8","EPA Pesticide Chemical Code 086801","BRN 1862539",Ayrtol,AI3-08632,"Nipacide PX",Chloroxylenol(USAN,"Chloroxylenol (USAN:USP:INN:BAN)",Chloroxyle
nol-(d6),1407521-66-7,PubChem19739,Spectrum_000138,"3, 4-chloro-",ACMC-209qqy,"m-Xylenol, 4-chloro-",Para-chloro-meta-xylenol,G00014-Watson-Int,"Para Chloro Meta Xylenol",Spectrum2_000136,Spectrum3_00
0344,Spectrum4_000281,Spectrum5_000713,"Chloroxylenol (USP/INN)","4-chloro-3,5dimethylphenol",SCHEMBL34163,BSPBio_002007,KBioGR_000802,KBioSS_000598,"p-Chloro-3,5-dimethylphenol",MLS000028592,BIDD:ER0
218,DivK1c_000801,SPECTRUM1500182,SPBio_000212,"WLN: QR DG C1 E1","3, 5-Dimethyl-4-chlorophenol",CHEMBL398440,ZINC1132,DTXSID0032316,HMS502I03,KBio1_000801,KBio2_000598,KBio2_003166,KBio2_005734,KBio3
_001227,NINDS_000801,HMS1920K19,HMS2091C22,HMS2233N06,HMS3369I18,"Para Chloro Meta Xylenol (PCMX)",Pharmakon1600-01500182,"4-Chloro-3,5-dimethylphenol purum",HY-B1414,NSC-4971,"Name: 4-Chloro-3,5-dime
thylphenol",Tox21_111305,Tox21_302047,AC-265,ANW-38936,CCG-38943,NSC756683,s4518,STL183324,AKOS009159132,Tox21_111305_1,CS-4912,DB11121,MCULE-8065730786,NE10171,NSC-756683,IDI1_000801,NCGC00094614-01,
NCGC00094614-02,NCGC00094614-04,NCGC00094614-06,NCGC00255257-01,AK-36681,H323,LS-13415,SMR000059157,"4-Chloro-3,5-xylenol;p-Chloro-m-xylenol",SBI-0051310.P003,DB-028803,FT-0618059,ST50824606,A16004,C1
4715,D03473,AB00051942_07,Q426460,SR-01000778359,SR-01000778359-2,"4-Chloro-3,5-dimethylphenol, purum, >=98.0 (T)",BRD-K17223896-001-02-7,BRD-K17223896-001-06-8,F0001-2183,Z1235963354,"Chloroxylenol, 
British Pharmacopoeia (BP) Reference Standard","Chloroxylenol, United States Pharmacopeia (USP) Reference Standard",T0898,1500182,Chloroxylenol,CHLOROXYLENOL}

> <pdid>
PD002426

> <targets>
{}

> <classes>
{"topical and urinary antiseptic",antibacterial}

> <pubchem_cids>
{2723}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 22  0  0  0  0            999 V2000
   14.1698   -8.6406    0.0000 Cl  0  5
   11.6676  -18.7804    0.0000 C   0  0
   11.6698  -17.2804    0.0000 C   0  0
   10.3716  -16.5273    0.0000 C   0  0
   10.3737  -15.0265    0.0000 C   0  0
    9.0755  -14.2734    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  3
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  CHG  2   1  -1  18   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11807

> <plate>
PLATE 011

> <well>
F7

> <supplier_cmpd_name>
Cetylpyridinium chloride monohydrate

> <ctcr_id>
4862

> <supplier_cmpd_id>
T0900

> <smiles>
[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1

> <pd_targets>
{CASP2,ATG4B,PLA2G1B,SLC5A7,RAD52,FFP,LEF,RORC,TSHR,HSP90AA1,KMT2A,HIF1A,LMNA,HTT,GROES,GROL,HSPD1,HSPE1,FTL,MEN1,MAPT,MAPK1,SLC6A4,CHRM4,CHRM5,LCK,TACR2,MC5R,CHRM1,FYN,TBXAS1,ADRA2A,CHRM3,HTR1A,HTR2A
,HTR2B,ADRA2C,SLC6A3,HTR2C,SLC6A2,ADORA3,ACHE,ADRA2B,CHRM2,MC4R,EGFR,ERBB2}

> <pathway_gtopdb>
{Enzyme,Transporter,"Other nuclear protein","Transcription factor","Unclassified protein","Membrane receptor","Other cytosolic protein","Epigenetic regulator",Protease,Hydrolase,"Electrochemical trans
porter",Transferase,"Nuclear receptor","Family A G protein-coupled receptor",Reader,Kinase,"Cytochrome P450","Cysteine protease","SLC superfamily of solute carriers","Metallo protease","Nuclear hormon
e receptor subfamily 1","Peptide receptor (family A GPCR)",Bromodomain,"Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 5","Cysteine protease CD clan","SLC05 family o
f sodium-dependent glucose transporters","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Glycohormone receptor","CMGC protein kinase group","SLC06 neurotransmitter transpor
ter family","Monoamine receptor","TK protein kinase group","Short peptide receptor (family A GPCR)","Cytochrome P450 family 5A","Nucleotide-like receptor (family A GPCR)","Cysteine protease C14 family
","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Acetylcholine receptor","Tyrosine protein kinase Src family","Neurokinin rece
ptor","Melanocortin receptor","Cytochrome P450 5A1","Adrenergic receptor","Serotonin receptor","Adenosine receptor","Tyrosine protein kinase EGFR family","CMGC protein kinase ERK1","Tyrosine protein k
inase SrcA"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Other protein targets","Peptidases and proteinases","Glycerophospholipid turnover","SLC superfamily of solute carriers","Nuclear hormone receptors","G protein-coupled 
receptors","Heat shock proteins","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","Acetylcholine turnover","CD: Cysteine (C) Peptidases","CA: Cysteine (C) P
eptidases","Phospholipase A<sub>2</sub>","SLC5 family of sodium-dependent glucose transporters","1F. Retinoic acid-related orphans","Glycoprotein hormone receptors","2.1.1.43 Histone methyltransferase
s (HMTs)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC6 neurotransmitter transporter family","Acetylcholine receptors (muscarinic)","Receptor kinases","Tachykinin receptors","Melanocortin rece
ptors",CYP5,"CYP7 and CYP8 families",Adrenoceptors,"5-Hydroxytryptamine receptors","Adenosine receptors","C14: Caspase","C54: Aut2 peptidase","Choline transporter","Mitogen-activated protein kinases (
MAP kinases)","Monoamine transporter subfamily","TK: Tyrosine kinase","ERK subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Src family","Type I RTKs: ErbB (epider
mal growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Autophagy,Metabolism,Disease,"DNA Repair","Cell Cycle","Cellular responses to external stimuli","Vesicle-mediated transport","Neuronal System","Immune System","Signa
l Transduction","Developmental Biology","RNA Polymerase II Transcription",Macroautophagy,"Metabolism of lipids","Disorders of transmembrane transporters","DNA Double-Strand Break Repair","Infectious d
isease",Mitotic,"Cellular responses to stress","Membrane Trafficking","Transmission across Chemical Synapses","Innate Immune System","Signaling by GPCR","Biological oxidations","Nervous system develop
ment","Generic Transcription Pathway","Phospholipid metabolism","SLC transporter disorders","Homology Directed Repair","Uptake and actions of bacterial toxins","Leishmania infection","Mitotic G2-G2/M 
phases","Cellular response to hypoxia","M Phase","trans-Golgi Network Vesicle Budding","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor Cascades","Neurotransmitter
 clearance","GPCR ligand binding","HIV Infection","Phase I - Functionalization of compounds","GPCR downstream signalling","Axon guidance","Transcriptional Regulation by TP53","Glycerophospholipid bios
ynthesis","Defective SLC5A7 causes distal hereditary motor neuronopathy 7A (HMN7A)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Uptake and function of anthrax toxins
","Transcriptional regulation by RUNX3","Leishmania parasite growth and survival","G2/M Transition","Transcriptional regulation by RUNX1","Oxygen-dependent proline hydroxylation of Hypoxia-inducible F
actor Alpha","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Golgi Associated Vesicle Biogenesis","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (
TLR5) Cascade","Serotonin clearance from the synaptic cleft","Class A/1 (Rhodopsin-like receptors)","Host Interactions of HIV factors","Cytochrome P450 - arranged by substrate type","Defective SLC6A3 
causes Parkinsonism-dystonia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)","G alpha (q) signalling events","Semaphorin interactions","TP53 Regulates Transcription of Cell D
eath Genes","Acyl chain remodelling of PC","HDR through Single Strand Annealing (SSA)","RUNX3 Regulates Immune Response and Cell Migration","Anti-inflammatory response favouring Leishmania parasite in
fection","Centrosome maturation","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Mitotic Anaphase","Regulation of MECP2 expression and activity","Post NMDA rec
eptor activation events","MyD88 cascade initiated on plasma membrane","Amine ligand-binding receptors","The role of Nef in HIV-1 replication and disease pathogenesis","Peptide ligand-binding receptors
",Eicosanoids,"Nucleotide-like (purinergic) receptors","Synthesis of PC","Gastrin-CREB signalling pathway via PKC and MAPK","Sema4D in semaphorin signaling","TP53 Regulates Transcription of Caspase Ac
tivators and Caspases","ADORA2B mediated anti-inflammatory cytokines production","Loss of proteins required for interphase microtubule organization from the centrosome","Nuclear Envelope (NE) Reassemb
ly","Activation of AMPK downstream of NMDARs","MAP kinase activation","Muscarinic acetylcholine receptors","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapte
rs","Tachykinin receptors bind tachykinins","Nef and signal transduction",Adrenoceptors,"Serotonin receptors","Adenosine P1 receptors","EGFR Transactivation by Gastrin","Sema4D induced cell migration 
and growth-cone collapse","Loss of Nlp from mitotic centrosomes","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulat
ion","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"cetylpyridinium chloride",123-03-5,123035,"hexadecylpyridinium chloride",Pristacin,"1-Hexadecylpyridinium chloride","1Hexadecylpyridinium chloride","1-hexadecylpyridin-1-ium chloride","1hexadecylpyr
idin1ium chloride",Cepacol,Cetamium,Dobendan,Pyrisept,Tserigel,Aktivex,Biosept,Ceprim,"Ceepryn chlori",T0900,1500169,"Cetylpyridinium chloride monohydrate","CETYLPYRIDINIUM CHLORIDE"}

> <pdid>
PD013911

> <targets>
{}

> <classes>
{"antiinfective (topical)"}

> <pubchem_cids>
{31239,22114567}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 14  0  0  0  0            999 V2000
   12.7999    0.3750    0.0000 O   0  0
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.8993    0.7496    0.0000 Cl  0  0
    2.6000   -1.5000    0.0000 Cl  0  0
    3.8989   -0.7502    0.0000 Cl  0  0
    7.7000    2.2500    0.0000 C   0  0
    7.7000    0.7500    0.0000 C   0  0
    6.4010    1.5002    0.0000 C   0  0
    6.4007    0.0004    0.0000 O   0  0
    9.0000    0.0000    0.0000 C   0  0
   10.2992    0.7496    0.0000 Cl  0  0
    9.0000   -1.5000    0.0000 Cl  0  0
   10.2989   -0.7502    0.0000 Cl  0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11808

> <plate>
PLATE 011

> <well>
F8

> <supplier_cmpd_name>
Chlorobutanol

> <ctcr_id>
11062

> <supplier_cmpd_id>
T0901

> <smiles>
O.CC(C)(O)C(Cl)(Cl)Cl.CC(C)(O)C(Cl)(Cl)Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{6001-64-5,6001645,"Chlorobutanol hemihydrate","1,1,1-Trichloro-2-methyl-2-propanol hemihydrate","1,1,1Trichloro2methyl2propanol hemihydrate",UNII-3X4P6271OX,UNII3X4P6271OX,"2-Propanol, 1,1,1-trichlor
o-2-methyl-, hydrate (2:1)","2Propanol, 1,1,1trichloro2methyl, hydrate (2:1)","1,1,1-trichloro-2-methylpropan-2-ol;hydrate","1,1,1trichloro2methylpropan2ol;hydrate",3X4P6271OX,1,1-Trichloro-2-methyl,1
Trichloro2methyl,T0901,Chlorobutanol}

> <pdid>
PD001119

> <targets>
{Antibiotic,Bacterial,Fungal}

> <classes>
{Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{5284505}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0007    0.0000 N   0  0
   -1.3003    3.7529    0.0000 C   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -2.6029    6.0009    0.0000 N   0  0
   -2.6053    7.5009    0.0000 C   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -3.8983    3.7488    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 F   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 C   0  0
   -2.5936   -6.0031    0.0000 O   0  0
    0.0042   -5.9990    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13  7  1  0
  6 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22  2  1  0
 22 23  1  0
 23  5  1  0
 23 17  2  0
 20 24  1  0
 24 25  1  0
 24 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11809

> <plate>
PLATE 011

> <well>
F9

> <supplier_cmpd_name>
Ofloxacin

> <ctcr_id>
6437

> <supplier_cmpd_id>
T0902

> <smiles>
CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O

> <pd_targets>
{GYRA,POLB,SKA,KDM4E,RCE1,SLC47A1,PARC,PARE,GYRB,HSD17B10,ALDH1A1,HPGD,ALB,STE24,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,TOP2A,CHRM1
}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transporter,Isomerase,Kinase,Eraser,Protease,"Electrochemical transporter","Lysine demethylase","Metallo protease","SLC superfamily of solute carriers","Jumonji domain-c
ontaining","Metallo protease unclassified clan","SLC47 family of multidrug and toxin extrusion transporters","Metallo protease M79 family","Secreted protein","Ion channel",Oxidoreductase,"Ligand-gated
 ion channel","GABA-A receptor","Serine protease","Metallo protease MAE clan","Serine protease PA clan","Metallo protease M48A subfamily","Serine protease S1A subfamily","Membrane receptor","Family A 
G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Transporters,"Chromatin modifying enzymes","Peptidases and proteinases","SLC superfamily of solute carriers","1.14.11.- Histone demethylases","M-: Metallo (M) Peptidases","SLC47 family of mul
tidrug and toxin extrusion transporters","M79: Prenyl protease 2","Eicosanoid turnover","DNA topoisomerases","Prostaglandin synthases",Receptors,"G protein-coupled receptors","Acetylcholine receptors 
(muscarinic)"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction","Transport of small molecules","Base Excision Repair","MAPK family signaling cascades","SLC-mediated transmembrane transport","Resolution of Abasic Sites (AP sites)
","MAPK1/MAPK3 signaling","Transport of bile salts and organic acids","metal ions and amine compounds","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","RAF/MAP kinase ca
scade","PCNA-Dependent Long Patch Base Excision Repair","RAS processing",Metabolism,"Cell Cycle","Metabolism of amino acids and derivatives","Biological oxidations","Metabolism of lipids",Mitotic,"Bra
nched-chain amino acid catabolism","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Mitotic G1 phase and G1/S transition
","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","G0 and Early G1","Biosynthesis of D-series resolvins","Recycling of bile acids and salts","Transcription 
of E2F targets under negative control by DREAM complex","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine rece
ptors"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{ofloxacin,82419-36-1,82419361,Floxin,Ofloxacine,Tarivid,Ocuflox,OFLX,Ofloxacino,Ofloxacinum,Exocin,Hoe-280,Hoe280,DL-8280,DL8280,"Floxin otic","HOE 280",Oxaldin,Dextrofloxacin,DL-ofloxacin,DLofloxaci
n,CHEBI:7731,Oflocet,Visiren,CHEMBL4,MFCD00226105,MLS000028749,Ofloxacina,Ofl,SAM002264629,1502044,Prestw-237,CPD000058192,OFLOXACIN,Ofloxacin}

> <pdid>
PD001207

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{4583,3288597}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  1  0            999 V2000
    3.3031   -3.1008    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    1.0340   -4.4110    0.0000 C   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.3959    2.2452    0.0000 C   0  0
   -0.1471    3.0778    0.0000 O   0  0
   -0.2429    4.5755    0.0000 S   0  0
   -1.5873    5.2407    0.0000 N   0  0
    1.0052    5.4077    0.0000 O   0  0
   -0.3392    6.0724    0.0000 O   0  0
   -2.7117    1.2364    0.0000 O   0  0
   -3.6011    0.0285    0.0000 C   0  0
   -4.3232    1.3433    0.0000 C   0  0
   -4.3401   -1.2768    0.0000 C   0  0
   -2.7272   -1.1906    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3114   -2.9665    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  1
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 11 14  2  0
  8 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 20 19  1  6
 20  8  1  0
 20 21  1  0
 21  5  1  0
 21 22  1  1
 22  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11810

> <plate>
PLATE 011

> <well>
F10

> <supplier_cmpd_name>
Topiramate

> <ctcr_id>
2215

> <supplier_cmpd_id>
T0675

> <smiles>
CC1(C)O[C@@H]2CO[C@@]3(CO[S](N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1

> <pd_targets>
{MTCA2,CA2,CA4,CA9,CA12,CA7,CA5A,CA1,CA5B,CA14,CA13,CA6,CYNT,CA15,MTCA1,NCE103,SCN2A,SCN10A,SCN11A,SCN1A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GAB
RB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,GRIK1,GRIK2,GRIK3,GRIK4,GRIK5,GRIA1,GRIA2,GRIA3,GRIA4,CA3,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Lyase,"Voltage-gated ion channel","Ligand-gated ion channel","Voltage-gated sodium channel","GABA-A receptor","Ionotropic glutamate receptor","Kainate receptor","AMPA receptor"}

> <pathway_chembl>
{Enzymes,"Ion channels","Carbonic anhydrases","Voltage-gated ion channels","Ligand-gated ion channels","Voltage-gated sodium channels","GABA<sub>A</sub> receptors"}

> <pathway_reactome>
{"Transport of small molecules","Cellular responses to external stimuli",Metabolism,"Immune System","Developmental Biology","Neuronal System","O2/CO2 exchange in erythrocytes","Cellular responses to s
tress","Reversible hydration of carbon dioxide","Cytokine Signaling in Immune system","Nervous system development","Transmission across Chemical Synapses","Erythrocytes take up carbon dioxide and rele
ase oxygen","Cellular response to hypoxia","Signaling by Interleukins","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","Regulation of gene expression by Hypoxia-induc
ible Factor","Interleukin-12 family signaling","L1CAM interactions","GABA receptor activation","Interleukin-12 signaling","Interaction between L1 and Ankyrins","Gene and protein expression by JAK-STAT
 signaling after Interleukin-12 stimulation"}

> <broad_targets>
{CA1,CA12,CA2,CA4,CA7,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,GRIA1,GRIA2,GRIA3,GRIA4,GRIK1,GRIK2,GRIK3,GRIK4,GRIK5,SCN10A,SCN11A,SC
N1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"carbonic anhydrase inhibitor","glutamate receptor antagonist","kainate receptor antagonist"}

> <synonyms>
{97240-79-4,97240794,Topamax,Epitomax,"Topamax Sprinkle",Tipiramate,Topiramatum,McN-4853,McN4853,Tipiramato,Topiramato,"McN 4853",C12H21NO8S,RWJ-17021-000,RWJ17021000,RWJ-17021,RWJ17021,"2,3:4,5-Bis-O
-(1-methylethylidene)-beta-D-fructopyranose sulfamate","2,3:4,5BisO(1methylethylidene)betaDfructopyranose sulfamate",2,3:4,5-Di-O-i,5DiOi,T0675,SAM001246601,1505801,Prestw-1493,Topiramate,CPD000466325
,TOPIRAMATE}

> <pdid>
PD000722

> <targets>
{Calcium Channel,Carbonic Anhydrase,GABA Receptor,iGluR,Potassium Channel,Sodium Channel}

> <classes>
{antimigraine,GABA-A agonist,AMP/kinate glutamate receptor antagonist,anticonvulsant,carbonic anhydrase inhibitor,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{5284627}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 18  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    7.6933   -0.3789    0.0000 C   0  0
    7.6933   -1.8789    0.0000 S   0  0
    7.6933   -3.3789    0.0000 O   0  0
    6.3940   -2.6285    0.0000 O   0  0
    8.9926   -2.6285    0.0000 O   0  0
   12.7933   -0.3789    0.0000 C   0  0
   12.7933   -1.8789    0.0000 S   0  0
   12.7933   -3.3789    0.0000 O   0  0
   11.4940   -2.6285    0.0000 O   0  0
   14.0926   -2.6285    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 12 15  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 17 20  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11811

> <plate>
PLATE 011

> <well>
F11

> <supplier_cmpd_name>
Betahistine mesylate

> <ctcr_id>
6141

> <supplier_cmpd_id>
T0246L

> <smiles>
CNCCc1ccccn1.C[S](O)(=O)=O.C[S](O)(=O)=O

> <pd_targets>
{ALOX15,ALDH1A1,HRH3,TAAR1,HRH1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Oxidoreductase,"Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Histamine receptor","Trace amine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","G protein-coupled receptors",Lipoxygenases,"Histamine receptors","Trace amine receptor"}

> <pathway_reactome>
{Metabolism,"Signal Transduction",Disease,"Metabolism of lipids","Biological oxidations","Signaling by GPCR","Infectious disease","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I -
 Functionalization of compounds","GPCR ligand binding","Leishmania infection","Biosynthesis of DPA-derived SPMs","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth 
and survival","Biosynthesis of DPAn-3 SPMs","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3-derived protectins and resolvi
ns","Histamine receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{HRH1,HRH3}

> <broad_moa>
{"histamine receptor agonist","histamine receptor antagonist"}

> <synonyms>
{RESTW54,"Betahistine mesylate",54856-23-4,54856234,"Betahistine mesilate",Tenyl,"2-Pyridineethanamine, N-methyl-, dimethanesulfonate","2Pyridineethanamine, Nmethyl, dimethanesulfonate",UNII-X1L0E3R43
Y,UNIIX1L0E3R43Y,"Betahistine (mesylate)","Betahistine Methanesulfonate","methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine","methanesulfonic acid;Nmethyl2pyridin2ylethanamine",T0246L,Prestw-543}

> <pdid>
PD009287

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{198334}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  1  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    2.2500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    3.8900   -1.4008    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  6  4  1  1
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16  6  1  0
 16 10  1  0
 16 17  1  1
  7 18  1  0
 18  2  1  0
 18 19  1  1
 19 20  1  0
 20 21  1  0
 21  2  1  0
 21 22  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11812

> <plate>
PLATE 011

> <well>
G2

> <supplier_cmpd_name>
Adrenosterone

> <ctcr_id>
3727

> <supplier_cmpd_id>
T2207

> <smiles>
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O

> <pd_targets>
{POLB,AMPC}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"DNA Repair","Base Excision Repair","Resolution of Abasic Sites (AP sites)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","PCNA-Dependent Long Patch Base Excision Rep
air"}

> <broad_targets>
{HSD11B1,HSD11B2}

> <broad_moa>
{"11-beta hydroxysteroid dehydrogenase inhibitor"}

> <synonyms>
{ADRENOSTERONE,382-45-6,382456,"Androst-4-ene-3,11,17-trione","Androst4ene3,11,17trione","Reichstein's substance G",11-Oxoandrostenedione,11Oxoandrostenedione,11-Ketoandrostenedione,11Ketoandrostenedi
one,Andrenosterone,11-Oxy-4-androstenedione,11Oxy4androstenedione,"4-Androstene-3,11,17-trione","4Androstene3,11,17trione",11-Keto-androstenedione,UNII-AE4E9102GY,UNIIAE4E9102GY,11-OX,11OX,T2207,Prest
w-899,Adrenosterone}

> <pdid>
PD000112

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{223997}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 Cl  0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21  7  1  0
 21 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11813

> <plate>
PLATE 011

> <well>
G3

> <supplier_cmpd_name>
Chlorprothixene hydrochloride

> <ctcr_id>
7158

> <supplier_cmpd_id>
T0074L

> <smiles>
CN(C)CC\C=C/1c2ccccc2Sc3ccc(Cl)cc13

> <pd_targets>
{CYP3A4,LMNA,CYP2C19,CYP2D6,FFP,LEF,DRD2,CHRM2,CYP1A2,CHRM1,HTR6,CHRM4,CHRM5,HTR2A,HTR7,CASP1,CHRM3,AMPC,HRH1,ABCB11,PDR5,DRD5,DRD3,SLC22A1,HTR2C,HTR1A,HTR1B,HTR1D,HTR1E,HTR1F,HTR2B,HTR3A,HTR3B,HTR3C,
HTR3D,HTR3E,HTR4}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor","Cytochrome P450",Transferase,Protease,"Family A G protein-coupled receptor","Cytochrome P450 family 3","Cytochrome P450 family 2","Metallo protease
","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Cysteine protease","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Metallo protease MAE cla
n","Monoamine receptor","Cytochrome P450 family 1A","Cysteine protease CD clan","Cytochrome P450 3A4","Cytochrome P450 2C19","Cytochrome P450 2D6","Metallo protease M34 family","Dopamine receptor","Ac
etylcholine receptor","Cytochrome P450 1A1","Serotonin receptor","Cysteine protease C14 family",Transporter,Hydrolase,"Primary active transporter","Electrochemical transporter","ATP-binding cassette",
"SLC superfamily of solute carriers","ABCB subfamily","SLC22 family of organic cation and anion transporters","Histamine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Peptidases and proteinases","CYP3 family","CYP2 family: drug metabolising subset","Dopamine receptors","Acetylcholine receptors (mus
carinic)","CYP1 family","5-Hydroxytryptamine receptors","CD: Cysteine (C) Peptidases","C14: Caspase",Transporters,"ATP-binding cassette transporter family","SLC superfamily of solute carriers","Histam
ine receptors","ABCB subfamily","SLC22 family of organic cation and anion transporters","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Signal Transduction","Gene expression (Transcription)","Metabolism of lipids",Mitotic,"Biological oxidations","Infectious disease","Signaling by GPCR","RNA Polymerase
 II Transcription","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Phase I - Functionalization of compounds","Uptake and actions of bacterial toxins","GPCR ligand binding","Leis
hmania infection","Generic Transcription Pathway","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Uptake and function of anthrax tox
ins","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Transcriptional Regulation by TP53","Biosynthesis of maresins","Mitotic Anaphase",Xenobiotics,"Amine ligand-bindi
ng receptors","Anti-inflammatory response favouring Leishmania parasite infection","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassem
bly","CYP2E1 reactions","Dopamine receptors","Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines produ
ction","Serotonin receptors","TP53 Regulates Transcription of Caspase Activators and Caspases","Initiation of Nuclear Envelope (NE) Reformation","Transport of small molecules","SLC-mediated transmembr
ane transport","Metabolism of steroids","Transport of bile salts and organic acids","metal ions and amine compounds","Bile acid and bile salt metabolism","Organic cation/anion/zwitterion transport","S
ynthesis of bile acids and bile salts","Organic cation transport","Histamine receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD1,DRD2,DRD3,HRH1,HTR2A,HTR2B,HTR2C}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{chlorprothixene,113-59-7,113597,Taractan,Truxal,Chlorprothixen,Chlorprotixen,Chlorprotixene,Clorprotixeno,Chlothixen,Iaractan,Rentovet,Traquilan,Vetacalm,Trictal,Truxil,Chlorprothixenum,Paxyl,(Z)-chl
orprothixene,(Z)chlorprothixene,"Ro 4-0403","Ro 40403",UNII-9S7OD60EWP,UNII9S7OD60EWP,N-714,N714,"MK 184",T0074L,T0074,S1771,"Chlorprothixene hydrochloride",Chlorprothixene}

> <pdid>
PD009945

> <targets>
{Others}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{667467}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 52  0  0  1  0            999 V2000
   -2.8371   -6.0314    0.0000 C   0  0
   -1.5699   -6.8341    0.0000 O   0  0
   -0.2400   -6.1400    0.0000 C   0  0
    1.2000   -6.9600    0.0000 C   0  0
    2.5800   -6.1000    0.0000 C   0  0
    2.5700   -4.6300    0.0000 C   0  0
    3.9000   -3.6700    0.0000 C   0  0
    4.4100   -2.2700    0.0000 C   0  0  1  0  0  0
    5.9300   -2.2000    0.0000 N   0  0
    6.7647   -3.4463    0.0000 C   0  0
    6.5600   -0.8500    0.0000 C   0  0
    5.7700    0.4000    0.0000 C   0  0
    4.2000    0.2800    0.0000 C   0  0
    3.3400    1.6600    0.0000 C   0  0
    1.9100    1.5700    0.0000 C   0  0
    0.7150    2.4793    0.0000 O   0  0
   -0.2075    2.0934    0.0000 C   0  0
    1.2400    0.2800    0.0000 C   0  0
   -1.5500    0.7500    0.0000 O   0  0
   -1.5300    2.9000    0.0000 C   0  0
   -0.3100    3.6400    0.0000 C   0  0
    1.0800    3.2100    0.0000 O   0  0
    1.8700    4.3600    0.0000 C   0  0
    1.0800    5.4800    0.0000 O   0  0
   -0.3100    5.0700    0.0000 C   0  0
   -1.5300    5.7800    0.0000 C   0  0
   -2.7700    5.0700    0.0000 C   0  0
   -4.0300    5.7800    0.0000 C   0  0
   -5.2500    5.0700    0.0000 C   0  0
   -5.2500    3.6400    0.0000 N   0  0
   -6.5571    2.9041    0.0000 C   0  0
   -4.0300    2.9000    0.0000 C   0  0  1  0  0  0
   -4.7500    1.3100    0.0000 C   0  0
   -3.9100   -0.2400    0.0000 C   0  0
   -4.4500   -1.6300    0.0000 C   0  0
   -3.5500   -2.8100    0.0000 C   0  0
   -2.0000   -2.5800    0.0000 C   0  0
   -1.5000   -3.9600    0.0000 O   0  0
   -0.2200   -4.7200    0.0000 C   0  0
    1.0100   -3.9100    0.0000 C   0  0
   -1.4500   -1.2200    0.0000 C   0  0
   -2.4500    0.0000    0.0000 C   0  0
   -2.7700    3.6400    0.0000 C   0  0
    2.0200   -1.0100    0.0000 C   0  0
    3.6200   -0.9400    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 21  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  6
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  0
 39  3  1  0
 39 40  2  0
 40  6  1  0
 37 41  1  0
 41 42  2  0
 42 34  1  0
 32 43  1  0
 43 20  1  0
 43 27  2  0
 18 44  1  0
 44 45  2  0
 45  8  1  0
 45 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11814

> <plate>
PLATE 011

> <well>
G4

> <supplier_cmpd_name>
Cepharanthine

> <ctcr_id>
5862

> <supplier_cmpd_id>
T0131

> <smiles>
COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc7CCN(C)[C@@H](Cc8ccc(Oc1c2)cc8)c57)cc34

> <pd_targets>
{MAPT,TPR,KDM4E,RORC,KMT2A,MEN1,MAPK1,CYP3A4}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Epigenetic regulator","Transcription factor",Protease,Oxidoreductase,Eraser,"Nuclear receptor",Reader,Kinase,"Cytochrome P450","Cysteine protease","Lysine demethylas
e","Nuclear hormone receptor subfamily 1",Bromodomain,"Protein Kinase","Cytochrome P450 family 3","Cysteine protease CA clan","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F"
,"CMGC protein kinase group","Cytochrome P450 family 3A","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 3A4",
"CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","CMGC: Contai
ning CDK",MAPK,GSK3,"CLK families","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Gene expression (Transcription)","Immune System",Metabolism,"Transmission across Chemical Synapses","RNA Polymerase II Transcription","Innate Immune System","Metabolism of lipids",
"Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Activation 
of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Post NMDA receptor activation events","RUNX3 
Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Activation of AMPK downstream of NMDARs","MAP kinase activation","Biosynthesis of
 maresin-like SPMs","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"NFkB pathway inhibitor"}

> <synonyms>
{CEPHARANTHINE,481-49-2,481492,Cepharanthin,(+)-Cepharanthine,(+)Cepharanthine,O-Methylcepharanoline,OMethylcepharanoline,Cepharantin,"Cepharanthine (JAN)",UNII-7592YJ0J6T,UNII7592YJ0J6T,"6',12'-Dimet
hoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan","6',12'Dimethoxy2,2'dimethyl6,7(methylenebis(oxy))oxyacanthan",CHEBI:3546,7592YJ0J6T,NSC623442,"ecaene (non-pr","ecaene (nonpr",T0131,1505322,Cep
haranthine}

> <pdid>
PD000940

> <targets>
{Apoptosis,Autophagy,HIV}

> <classes>
{hepatoprotectant,antineoplastic,radiopropective,Anti-infection,Apoptosis,Autophagy}

> <pubchem_cids>
{10206}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 46  0  0  1  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5984   -1.5051    0.0000 N   0  0
    2.5973   -3.0060    0.0000 C   0  0  1  0  0  0
    3.8942   -3.7597    0.0000 C   0  0
    5.1953   -3.0134    0.0000 O   0  0
    3.8899   -5.2597    0.0000 C   0  0
    5.1868   -6.0134    0.0000 O   0  0
    2.5887   -6.0060    0.0000 C   0  0
    2.5814   -7.5068    0.0000 C   0  0
    3.8762   -8.2640    0.0000 O   0  0
    1.2918   -5.2523    0.0000 O   0  0
    1.2961   -3.7523    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6531   -3.1237    0.0000 C   0  0  1  0  0  0
   -3.6607   -4.2349    0.0000 O   0  0
   -2.9152   -5.5365    0.0000 C   0  0
   -3.3251   -6.4486    0.0000 C   0  0
   -1.4469   -5.2297    0.0000 C   0  0  1  0  0  0
   -0.0288   -4.7408    0.0000 O   0  0
   -1.7753   -6.6809    0.0000 C   0  0
   -2.7254   -6.9927    0.0000 O   0  0
   -2.9452   -1.6542    0.0000 O   0  0
   -4.3661   -1.1708    0.0000 C   0  0  1  0  0  0
   -4.6607    0.3000    0.0000 C   0  0  2  0  0  0
   -3.5342    1.2905    0.0000 O   0  0
   -6.0817    0.7804    0.0000 C   0  0  1  0  0  0
   -6.3762    2.2512    0.0000 O   0  0
   -7.2082   -0.2101    0.0000 C   0  0  2  0  0  0
   -8.6290    0.2734    0.0000 N   0  0
   -8.9216    1.7455    0.0000 C   0  0
   -7.7934    2.7340    0.0000 N   0  0
  -10.3416    2.2287    0.0000 N   0  0
   -6.9137   -1.6809    0.0000 C   0  0  1  0  0  0
   -8.0401   -2.6714    0.0000 O   0  0
   -5.4926   -2.1612    0.0000 C   0  0  2  0  0  0
   -5.2010   -3.6335    0.0000 N   0  0
   -6.3296   -4.6228    0.0000 C   0  0
   -7.7498   -4.1400    0.0000 N   0  0
   -6.0382   -6.0942    0.0000 N   0  0
    6.3987    0.3070    0.0000 O   0  0
    6.3987   -1.1930    0.0000 S   0  0
    6.3987   -2.6930    0.0000 O   0  0
    5.0994   -1.9426    0.0000 O   0  0
    7.6980   -1.9426    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12  3  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 14  1  0
 19 20  1  6
 19 21  1  0
 21 22  1  0
 15 23  1  1
 24 23  1  6
 24 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  6
 27 29  1  0
 29 30  1  1
 30 31  1  0
 31 32  1  0
 31 33  2  0
 29 34  1  0
 34 35  1  6
 34 36  1  0
 36 24  1  0
 36 37  1  1
 37 38  1  0
 38 39  1  0
 38 40  2  0
 41 42  1  0
 42 43  1  0
 42 44  2  0
 42 45  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11815

> <plate>
PLATE 011

> <well>
G5

> <supplier_cmpd_name>
Dihydrostreptomycin sulfate

> <ctcr_id>
125

> <supplier_cmpd_id>
T2211

> <smiles>
CN[C@H]1C(O)C(O)C(CO)OC1OC2[C@@H](OC(C)[C@]2(O)CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]3NC(N)=N.O[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"dihydro-Streptomycin sulfate","dihydroStreptomycin sulfate","Dihydrostreptomycin sulfate",SR-05000001607,SR05000001607,1425-61-2,1425612,SPECTRUM1500249,HMS501M11,HMS1920G18,HMS2091O06,Pharmakon1600
-01500249,Pharmakon160001500249,CCG-40220,CCG40220,NSC756739,NSC-756739,SR-05000001607-1,SR050000016071,SR-05000001607-2,SR050000016072,T2211,1500249,"DIHYDROSTREPTOMYCIN SULFATE"}

> <pdid>
PD006607

> <targets>
{}

> <classes>
{tuberculostatic,antibacterial}

> <pubchem_cids>
{5702043}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0092   -6.0025    0.0000 O   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4988    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11816

> <plate>
PLATE 011

> <well>
G6

> <supplier_cmpd_name>
Guaifenesin

> <ctcr_id>
4219

> <supplier_cmpd_id>
T0739

> <smiles>
COc1ccccc1OCC(O)CO

> <pd_targets>
{GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B}

> <pathway_gtopdb>
{"Ion channel","Ligand-gated ion channel","Ionotropic glutamate receptor","NMDA receptor"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{expectorant}

> <synonyms>
{guaifenesin,93-14-1,93141,Guaiphenesin,"Guaiacol glyceryl ether","Glycerol guaiacolate","GLYCERYL GUAIACOLATE",Guaiphenesine,"3-(2-methoxyphenoxy)propane-1,2-diol","3(2methoxyphenoxy)propane1,2diol",
Methphenoxydiol,Aeronesin,Breonesin,Bronchol,Aresol,Propanosedyl,Calmipan,Cortussin,D,T0739,1500321,Prestw-776,Guaifenesin,GUAIFENESIN}

> <pdid>
PD002316

> <targets>
{}

> <classes>
{expectorant}

> <pubchem_cids>
{3516}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  1  0            999 V2000
    5.0987   -2.4129    0.0000 O   0  0
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0  2  0  0  0
   -4.8896   -2.5354    0.0000 O   0  0
   -6.2433   -1.8893    0.0000 C   0  0  2  0  0  0
   -7.5587   -2.6066    0.0000 C   0  0
   -7.5962   -4.1069    0.0000 O   0  0
   -8.9138   -4.8255    0.0000 P   0  0
  -10.1939   -4.0436    0.0000 O   0  0
  -10.2311   -5.5430    0.0000 O   0  0
   -8.9513   -6.3250    0.0000 O   0  0
   -6.0471   -0.4022    0.0000 C   0  0  1  0  0  0
   -7.1349    0.6307    0.0000 O   0  0
   -4.5721   -0.1292    0.0000 C   0  0  1  0  0  0
   -3.9177    1.2205    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  3  1  0
 11  7  2  0
 12  8  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  6
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  2  0
 14 21  1  0
 21 22  1  1
 21 23  1  0
 23 12  1  0
 23 24  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11817

> <plate>
PLATE 011

> <well>
G7

> <supplier_cmpd_name>
Adenosine 5'-monophosphate monohydrate

> <ctcr_id>
5587

> <supplier_cmpd_id>
T0853L

> <smiles>
O.Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O

> <pd_targets>
{PKM,PYK,RXFP1,CCK,FBP1,DNPH1,SRC,TRPM2,P2RY1,P2RY11,TRPM4,P2RY2,PRKAA1,PRKAB1,PRKAG1,AK2,ADORA2A,POL,PRKAA2,PRKAB2,PRKAG2,PRKAG3,SMN1,LDHA,ADORA1,CREB1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Secreted protein","Ion channel","Epigenetic regulator","Unclassified protein",Transferase,"Family A G protein-coupled receptor",Hydrolase,Kinase,"Voltage-gated ion channel
",Protease,Reader,Oxidoreductase,"Peptide receptor (family A GPCR)","Protein Kinase","Transient receptor potential channel","Small molecule receptor (family A GPCR)","Aspartic protease","Methyl-lysine
/arginine binding protein","Protein kinase regulatory subunit","Relaxin-like peptide receptor (family A GPCR)","TK protein kinase group","Nucleotide-like receptor (family A GPCR)","Monoamine-derivativ
e receptor (family A GPCR)","CAMK protein kinase group","Aspartic protease AA clan","Tudor domain","Relaxin receptor","Tyrosine protein kinase Src family","Purine receptor","Melatonin receptor","CAMK 
protein kinase CAMK1 family","Adenosine receptor","Aspartic protease A2A subfamily","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","2.7.1.40 Pyruvate kinases","G protein-coupled receptors","Catalytic receptors","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Relaxin family peptide receptors"
,"Receptor kinases","Transient Receptor Potential channels","P2Y receptors","Receptor guanylyl cyclase (RGC) family","Adenosine receptors","CAMK: Calcium/calmodulin-dependent protein kinases","TK: Tyr
osine kinase","Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase","CAMK-like (CAMKL) family","Non-receptor tyrosine kinases (nRTKs)","AMPK subfamily","Src family"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Transport of small molecules","Metabolism of RNA","Immune System","Gene expression (Transcription)","Metabolism of carbohydrates","Infectious disease","Signa
ling by GPCR","Metabolism of nucleotides","Signaling by Receptor Tyrosine Kinases","Ion channel transport","Metabolism of non-coding RNA","The citric acid (TCA) cycle and respiratory electron transpor
t","Innate Immune System","RNA Polymerase II Transcription","Glucose metabolism","Leishmania infection","GPCR ligand binding","Nucleobase catabolism","Signaling by NTRKs","Stimuli-sensing channels","I
nterconversion of nucleotide di- and triphosphates","snRNP Assembly","Pyruvate metabolism and Citric Acid (TCA) cycle","Toll-like Receptor Cascades","Generic Transcription Pathway",Glycolysis,"Leishma
nia parasite growth and survival","Class A/1 (Rhodopsin-like receptors)",Gluconeogenesis,"Purine catabolism","Signaling by NTRK1 (TRKA)","TRP channels","Pyruvate metabolism","Toll Like Receptor 5 (TLR
5) Cascade","Transcriptional Regulation by TP53","Anti-inflammatory response favouring Leishmania parasite infection","Peptide ligand-binding receptors","Signalling to ERKs","Nucleotide-like (purinerg
ic) receptors","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","ADORA2B mediated anti-inflammatory cytokines production","Signalling to RAS","P2Y receptors","Adenosine P1 re
ceptors","MAP kinase activation","Regulation of TP53 Activity through Phosphorylation","p38MAPK events","MAPK targets/ Nuclear events mediated by MAP kinases","CREB phosphorylation"}

> <broad_targets>
{ACSL1,ACSS1,ACSS2,ADCY1,ADK,CREB1,FBP1,HINT1,PDE4B,PDE4D,PIM1,PRKAA1,PRKAB1,PRKAB2,PYGL,TRPM4}

> <broad_moa>
{"adenosine receptor agonist"}

> <synonyms>
{RESTW35,"RESTW 35","Adenosine 5'-monophosphate monohydrate","Adenosine 5'monophosphate monohydrate","Adenosine 5' monophosphate monohydrate",18422-05-4,18422054,"18422 05 4","5'-Adenylic acid, hydrat
e (1:1)","5'Adenylic acid, hydrate (1:1)",5',Prestw-356}

> <pdid>
PD001648

> <targets>
{AMPK}

> <classes>
{}

> <pubchem_cids>
{6419976}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0  2  0  0  0
   -1.2935    3.7495    0.0000 O   0  0
   -1.2883    5.2495    0.0000 C   0  0  2  0  0  0
    0.0156    5.9928    0.0000 C   0  0
    1.3109    5.2364    0.0000 O   0  0
   -2.5848    6.0040    0.0000 C   0  0  1  0  0  0
   -2.5796    7.5040    0.0000 O   0  0
   -3.8864    5.2585    0.0000 C   0  0  2  0  0  0
   -5.1828    6.0129    0.0000 O   0  0
   -3.8915    3.7585    0.0000 C   0  0  1  0  0  0
   -5.1932    3.0130    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.8794   -1.4442    0.0000 C   0  0
   -4.8817   -2.5602    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  6
 10  9  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  1
 13 14  1  0
 12 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  1
 17 19  1  0
 19 10  1  0
 19 20  1  6
  8 21  1  0
 21 22  1  0
 22  5  1  0
 22 23  1  1
 23 24  1  0
 24 25  2  3
 21 25  1  1
 25 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11818

> <plate>
PLATE 011

> <well>
G8

> <supplier_cmpd_name>
Geniposide

> <ctcr_id>
7215

> <supplier_cmpd_id>
T2212

> <smiles>
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1CC=C3CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{GLP1R}

> <broad_moa>
{"GLP receptor agonist"}

> <synonyms>
{Geniposide,24512-63-8,24512638,Jasminoidin,UNII-145295QLXY,UNII145295QLXY,CHEBI:5299,145295QLXY,169799-41-1,169799411,"Genipin 1-glucoside","Genipin 1glucoside",CHEMBL462894,"Geniposide, >=98 (HPLC)"
,AOB5625,HMS3884F17,ZINC3882101,BDBM50478840,MFCD16036219,s2411,AKOS025311228,CCG-268498,CCG268498,MCULE-3871054229,MCULE3871054229,S2411}

> <pdid>
PD011967

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{107848}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    2.2703   -4.0022    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.2584   -6.9323    0.0000 O   0  0
   -0.6870   -2.7320    0.0000 O   0  0
   -0.8141   -2.0807    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -0.8660    2.0000    0.0000 F   0  0
    0.8660    2.5000    0.0000 C   0  0
    3.8971    3.7500    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  0
 15  5  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18  4  1  0
 18 19  1  0
 19  2  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 19 24  1  0
 18 25  1  0
 16 26  1  0
 15 27  1  0
 14 28  1  0
  7 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11819

> <plate>
PLATE 011

> <well>
G9

> <supplier_cmpd_name>
Flumethasone

> <ctcr_id>
7880

> <supplier_cmpd_id>
T1124

> <smiles>
CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F

> <pd_targets>
{NR3C1,HIF1A,RORC,ABCB11,RAB9A,MAPT}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1",Transporter,Enz
yme,"Other cytosolic protein","Primary active transporter",Hydrolase,"Nuclear hormone receptor subfamily 1","ATP-binding cassette","Nuclear hormone receptor subfamily 1 group F","ABCB subfamily","Nucl
ear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors",Transporters,"ATP-binding cassette transporter family","1F. Retinoic acid-related orphans","ABCB subfam
ily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","FOXO-mediated transcription of oxidative stress","metabolic and neur
onal genes","Cellular responses to external stimuli",Metabolism,"Signal Transduction","Neuronal System","Cellular responses to stress","Metabolism of lipids","Signaling by Rho GTPases","Transmission a
cross Chemical Synapses","Cellular response to hypoxia","Metabolism of steroids","Rho GTPase cycle","Neurotransmitter receptors and postsynaptic signal transmission","Oxygen-dependent proline hydroxyl
ation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","RHOBTB GTPase Cycle","Activation of NMDA receptors and postsynaptic events","RUNX3 
Regulates Immune Response and Cell Migration","Synthesis of bile acids and bile salts","RHOBTB3 ATPase cycle","Post NMDA receptor activation events","Synthesis of bile acids and bile salts via 7alpha-
hydroxycholesterol","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{NR3C1,PLA2G1B}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{W219966,SW219966-1,SW2199661,BRD-K09237689-001-01-0,BRDK09237689001010,S4088,Flumethasone}

> <pdid>
PD001457

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{129009967}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    1.2443   -5.8182    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -2.6933   -6.3162    0.0000 O   0  0
   -0.7603   -8.0518    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  4  1  0
 13  7  1  0
  2 14  1  0
 14 15  1  0
 14 16  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11820

> <plate>
PLATE 011

> <well>
G10

> <supplier_cmpd_name>
L-5-Hydroxytryptophan

> <ctcr_id>
6708

> <supplier_cmpd_id>
T1379

> <smiles>
NC(Cc1c[nH]c2ccc(O)cc12)C(O)=O

> <pd_targets>
{MAPT,PMP22,HSD17B10,LMNA,TSHR,NS1,CYP3A4,HTR4,HTR3A,HTR3B,ALDH1A1,ALD,HTR7,HTR2A,RORC,ALOX15,AMPC,NPSR1,NFKB1,BLM,CHRM1,KDM4E,HTR2C,HTR2B,MTOR,HTR1A,SLC36A2,SLC36A1}

> <pathway_gtopdb>
{"Other cytosolic protein","Unclassified protein",Enzyme,"Other nuclear protein","Membrane receptor","Ion channel","Transcription factor","Epigenetic regulator",Transporter,Oxidoreductase,"Family A G 
protein-coupled receptor","Cytochrome P450","Ligand-gated ion channel","Nuclear receptor",Hydrolase,Eraser,Kinase,"Electrochemical transporter","Peptide receptor (family A GPCR)","Cytochrome P450 fami
ly 3","Small molecule receptor (family A GPCR)","5HT3 receptor","Nuclear hormone receptor subfamily 1","Lysine demethylase","Protein Kinase","SLC superfamily of solute carriers","Glycohormone receptor
","Cytochrome P450 family 3A","Monoamine receptor","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Jumonji domain-containing","Atypical protein kinase group","
SLC36 family of proton-coupled amino acid transporters","Cytochrome P450 3A4","Serotonin receptor","Nuclear hormone receptor subfamily 1 group F member 3","Neuropeptide receptor","Acetylcholine recept
or","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Cytochrome P450","Ligand-gated ion channels","Nuclear hormone receptors","Eicosanoid turnover","Chromatin modifying enzyme
s","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Glycoprotein hormone receptors","CYP3 family","5-Hydroxytryptamine receptors","5-HT<sub>3</sub> receptors","1F. Retinoic acid-related or
phans",Lipoxygenases,"Neuropeptide S receptor","Acetylcholine receptors (muscarinic)","1.14.11.- Histone demethylases",Atypical,"SLC36 family of proton-coupled amino acid transporters","Phosphatidyl i
nositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Neuronal System","Developmental Biology",Metabolism,"Cell Cycle",Disease,"Signal Transduction","Gene expression (Transcription)","Immune System","DNA Repair","Transport of small molecules","Transmis
sion across Chemical Synapses","Nervous system development","Metabolism of amino acids and derivatives",Mitotic,"Infectious disease","Metabolism of lipids","Biological oxidations","Signaling by GPCR",
"RNA Polymerase II Transcription","Cytokine Signaling in Immune system","DNA Double-Strand Break Repair","Disorders of transmembrane transporters","SLC-mediated transmembrane transport","Neurotransmit
ter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Branched-chain amino acid catabolism","M Phase","Leishmania infection","Biosynthes
is of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","GPCR ligand binding","Generic Transcription Pathway","Signaling by Interleukins","Homology Directed Repair"
,"SLC transporter disorders","Transport of inorganic cations/anions and amino acids/oligopeptides","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Leishmania p
arasite growth and survival","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Int
erleukin-1 family signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by TP53","Defective SLC36A2 causes iminoglycinuria (IG) and hyper
glycinuria (HG)","Amino acid transport across the plasma membrane","Post NMDA receptor activation events","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Biosy
nthesis of maresins","Amine ligand-binding receptors","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Interleukin-1 signaling","HDR through Homologous Recombination
 (HRR)","Regulation of TP53 Activity","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-li
ke SPMs","Serotonin receptors","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcho
line receptors","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 
Degradation"}

> <broad_targets>
{SLC36A1,SLC36A2}

> <broad_moa>
{neurotransmitter}

> <synonyms>
{"HYDROXYTRYPTOPHAN (5HTP","5-Hydroxy-L-tryptophan, 22","5HydroxyLtryptophan, 22",BDBM92700,2-ammonio-3-(5-hydroxy-1H-indol-3-yl)propanoate,2ammonio3(5hydroxy1Hindol3yl)propanoate,A831147,2-azaniumyl-
3-(5-oxidanyl-1H-indol-3-yl)propanoate,2azaniumyl3(5oxidanyl1Hindol3yl)propanoate,5-hydroxytryptophan,5hydroxytryptophan,56-69-9,56699,5-Hydroxy-DL-tryptophan,5HydroxyDLtryptophan,DL-5-Hydroxytryptoph
an,DL5Hydroxytryptophan,2-a,2a,T3003,T1379,S2374,L-5-Hydroxytryptophan,"5-hydroxytryptophan (5-HTP)"}

> <pdid>
PD002706

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{25243949,144}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    7.6894   -1.1304    0.0000 Cl  0  0
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  8  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11821

> <plate>
PLATE 011

> <well>
G11

> <supplier_cmpd_name>
Promazine hydrochloride

> <ctcr_id>
11063

> <supplier_cmpd_id>
T0766

> <smiles>
Cl.CN(C)CCCN1c2ccccc2Sc2ccccc12

> <pd_targets>
{CYP2C19,HIF1A,CYP1A2,SCN1A,SCN2A,SCN3A,THPO,CYP2D6,PDR5,DRD2,LEF,CHRM1,ADRA1B,DRD3,TSHR,HRH1,ADRA2A,ALB,DRD1,DRD4,DRD5,TP53,CHRM2,ADRA1A,TPR,HTR2C,LMNA,PMP22,MAPT,NPSR1,KDM4E,GFER,HRH2,CHRM5,HTR1A,HT
R2A,MTOR,ADRA1D,SLC6A2,HTR2B,SIGMAR1,ADRA2C,CHRM4,SLC6A4,ADRA2B,CHRM3,HTR6,PRNP,SLC22A1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Ion channel","Unclassified protein",Transporter,"Membrane receptor","Secreted protein","Other nuclear protein","Other cytosolic protein","Epigenetic regulator","Surface
 antigen","Cytochrome P450","Voltage-gated ion channel","Family A G protein-coupled receptor",Protease,Oxidoreductase,Eraser,Kinase,"Electrochemical transporter","Cytochrome P450 family 2","Cytochrome
 P450 family 1","Voltage-gated sodium channel","Small molecule receptor (family A GPCR)","Metallo protease","Peptide receptor (family A GPCR)","Lysine demethylase","Protein Kinase","SLC superfamily of
 solute carriers","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Monoamine receptor","Metallo protease MAE clan","Glycohormone receptor","Short peptide receptor (
family A GPCR)","Jumonji domain-containing","Atypical protein kinase group","SLC06 neurotransmitter transporter family","SLC22 family of organic cation and anion transporters","Cytochrome P450 2C19","
Cytochrome P450 1A1","Cytochrome P450 2D6","Dopamine receptor","Metallo protease M34 family","Acetylcholine receptor","Adrenergic receptor","Histamine receptor","Serotonin receptor","Neuropeptide rece
ptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Cytochrome P450","G protein-coupled receptors","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Sigma
 receptors","CYP2 family: drug metabolising subset","CYP1 family","Dopamine receptors","Acetylcholine receptors (muscarinic)",Adrenoceptors,"Glycoprotein hormone receptors","Histamine receptors","5-Hy
droxytryptamine receptors","Neuropeptide S receptor","1.14.11.- Histone demethylases",Atypical,"SLC6 neurotransmitter transporter family","SLC22 family of organic cation and anion transporters","Phosp
hatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter subfamily","Organic cation transporters (OCT)","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli",Hemostasis,"Signal Transduction",Disease,"Cell Cycle","Developmental Biology","Neuronal System","Protein localization","Gene expression (Transcript
ion)","Transport of small molecules","Biological oxidations","Cellular responses to stress","Platelet activation","signaling and aggregation","Signaling by GPCR","Infectious disease","Metabolism of li
pids","Cell Cycle Checkpoints",Mitotic,"Nervous system development","Transmission across Chemical Synapses","Mitochondrial protein import","RNA Polymerase II Transcription","Disorders of transmembrane
 transporters","SLC-mediated transmembrane transport","Phase I - Functionalization of compounds","Cellular response to hypoxia","Platelet Aggregation (Plug Formation)","GPCR ligand binding","Uptake an
d actions of bacterial toxins","Leishmania infection","Metabolism of steroids","G1/S DNA Damage Checkpoints","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Neurotransmitte
r receptors and postsynaptic signal transmission","Generic Transcription Pathway","SLC transporter disorders","SARS-CoV Infections","Neurotransmitter clearance","Axon guidance","Transport of bile salt
s and organic acids","metal ions and amine compounds","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Class A/1 (Rhodopsin-li
ke receptors)","Uptake and function of anthrax toxins","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","p53-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and 
Anaphase","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","Defective SLC6A2 causes orthostatic intolerance (OI)","Potential therapeutics for SARS","Serotoni
n clearance from the synaptic cleft","NCAM signaling for neurite out-growth","Organic cation/anion/zwitterion transport",Xenobiotics,"Amine ligand-binding receptors","Anti-inflammatory response favour
ing Leishmania parasite infection","Recycling of bile acids and salts","p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","Post NMDA receptor activation events","Regulation of TP53 Activity","N
CAM1 interactions","Organic cation transport","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Dopamine receptors","Muscarinic acetylcholine receptors",Adrenocept
ors,"ADORA2B mediated anti-inflammatory cytokines production","Histamine receptors","Stabilization of p53","Serotonin receptors","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NM
DARs","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD1,DRD2,DRD3,DRD4,HRH1,HTR2A,HTR2C}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{"PROMAZINE HYDROCHLORIDE",53-60-1,53601,"Promazine Hcl",Sparine,Starazin,Talofen,"Promazine (hydrochloride)","Promazine monohydrochloride",UNII-U16EOR79U4,UNIIU16EOR79U4,"RP 4560","N,N-dimethyl-3-(10
H-phenothiazin-10-yl)propan-1-amine hydrochloride","N,Ndimethyl3(10Hphenothiazin10yl)propan1amine hydrochloride",T0766,"Promazine hydrochloride"}

> <pdid>
PD010036

> <targets>
{5-HT,mAChR,"Adrenergic Receptor",Dopamine}

> <classes>
{Neuroscience,"GPCR/G Protein"}

> <pubchem_cids>
{5887}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 40  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.5018    3.7420    0.0000 O   0  0
   -7.7993    2.9876    0.0000 C   0  0
   -9.1017    3.7333    0.0000 C   0  0  1  0  0  0
  -10.4521    3.1101    0.0000 C   0  0
  -11.4576    4.2232    0.0000 O   0  0
  -10.7097    5.5235    0.0000 C   0  0  1  0  0  0
  -12.1915    5.6529    0.0000 C   0  0
  -13.0723    4.4376    0.0000 N   0  0
  -14.5587    4.4336    0.0000 C   0  0
  -15.0012    3.0003    0.0000 N   0  0
  -13.7748    2.1366    0.0000 C   0  0
  -12.5744    3.0360    0.0000 N   0  0
   -9.2420    5.2139    0.0000 O   0  0
   -9.8181    6.7146    0.0000 C   0  0
   -8.3287    6.5365    0.0000 C   0  0
   -7.4298    7.7374    0.0000 C   0  0
   -8.0203    9.1162    0.0000 C   0  0
   -7.1214   10.3171    0.0000 Cl  0  0
   -9.5097    9.2943    0.0000 C   0  0
  -10.4086    8.0934    0.0000 C   0  0
  -11.8980    8.2715    0.0000 Cl  0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 16 15  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 21  1  0
 19 26  1  0
 26 16  1  0
 19 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 27  1  0
 33 34  1  0
 13 35  1  0
 35 36  2  0
 36 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11822

> <plate>
PLATE 011

> <well>
H2

> <supplier_cmpd_name>
Terconazole

> <ctcr_id>
3715

> <supplier_cmpd_id>
T2213

> <smiles>
CC(C)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2

> <pd_targets>
{ADRA1A,HTR1B,HTR4,HMOX1,HSP90AA1,HMOX2,REP,AMPC,ADRA1B,ALOX15,ADRA1D,ADRA2C,DRD3,ADRA2A,ADRA2B,CHRM3,FYN,HTR2C,SIGMAR1,SLC6A4,NR1I2,SLC6A2,SLC6A3,CHRM2,CHRM5,ACHE,CYP51A1,CHRM1,CHRM4,HTR2A,ERG11,TSHR
,CYP3A4,LMNA}

> <pathway_gtopdb>
{"Unclassified protein","Membrane receptor",Enzyme,"Other cytosolic protein",Transporter,"Transcription factor","Family A G protein-coupled receptor",Oxidoreductase,Hydrolase,Kinase,"Electrochemical t
ransporter","Nuclear receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Protein Kinase","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1","Cytochrome P450
 family 51","Monoamine receptor","TK protein kinase group","SLC06 neurotransmitter transporter family","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 family 51A","Adrenergic receptor"
,"Serotonin receptor","Dopamine receptor","Acetylcholine receptor","Tyrosine protein kinase Src family","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 51A1","Tyrosine protein
 kinase SrcA","Other nuclear protein","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"G protein-coupled receptors","Haem oxygenase","Heat shock proteins","Anti-infective targets","Eicosanoid turnover","Catalytic receptors","Sigma
 receptors","SLC superfamily of solute carriers","Nuclear hormone receptors","Acetylcholine turnover","Cytochrome P450",Adrenoceptors,"5-Hydroxytryptamine receptors","Viral protein targets",Lipoxygena
ses,"Dopamine receptors","Acetylcholine receptors (muscarinic)","Receptor kinases","SLC6 neurotransmitter transporter family","1I. Vitamin D receptor-like receptors",CYP39,"CYP46 and CYP51 families","
Coronavirus (CoV) proteins","TK: Tyrosine kinase","Monoamine transporter subfamily","Non-receptor tyrosine kinases (nRTKs)","Src family","Glycoprotein hormone receptors","CYP3 family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System","Cell Cycle",Metabolism,"Neuronal System","Metabolism of proteins","Signaling by GPCR","Infectious disease","Cytokine Signaling in Immune system",Mitotic
,"Innate Immune System","Metabolism of lipids","Transmission across Chemical Synapses","Post-translational protein modification","Disorders of transmembrane transporters","Biological oxidations","GPCR
 ligand binding","Leishmania infection","Signaling by Interleukins","Mitotic G2-G2/M phases","Neutrophil degranulation","SARS-CoV Infections","Biosynthesis of specialized proresolving mediators (SPMs)
","HIV Infection","Neurotransmitter clearance",SUMOylation,"SLC transporter disorders","Phospholipid metabolism","Phase I - Functionalization of compounds","Class A/1 (Rhodopsin-like receptors)","Leis
hmania parasite growth and survival","Interleukin-4 and Interleukin-13 signaling","G2/M Transition","SARS-CoV-1 Infection","Biosynthesis of DPA-derived SPMs","Host Interactions of HIV factors","Potent
ial therapeutics for SARS","Serotonin clearance from the synaptic cleft","SUMO E3 ligases SUMOylate target proteins","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Par
kinsonism-dystonia infantile (PKDYS)","Glycerophospholipid biosynthesis","Cytochrome P450 - arranged by substrate type","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmani
a parasite infection","Centrosome maturation","SARS-CoV-1 Genome Replication and Transcription","Biosynthesis of DPAn-3 SPMs","The role of Nef in HIV-1 replication and disease pathogenesis","SUMOylati
on of intracellular receptors","Synthesis of PC","Endogenous sterols",Adrenoceptors,"Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production","Loss of proteins required for inter
phase microtubule organization from the centrosome","Replication of the SARS-CoV-1 genome","Biosynthesis of DPAn-3-derived protectins and resolvins","Dopamine receptors","Muscarinic acetylcholine rece
ptors","Nef and signal transduction","Loss of Nlp from mitotic centrosomes","M Phase","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Biosynthesis of maresins","Mitotic Anaphase",
"Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{terconazole,67915-31-5,67915315,Triaconazole,"Terazol 3","Terazol 7",Fungistat,CHEBI:82980,R-42470,R42470,C26H31Cl2N5O3,Panlomyc,NSC-331942,NSC331942,NCGC00016912-01,NCGC0001691201,"R 42470",CAS-6791
5-31-5,CAS67915315,"Terazol 3 (TN)","(2R,4S)-terconazole","(2R,4S)terconazole","Terconazole (USP/INN)",Prestwick3_00049,Prestwick300049,Prestwick3-00049,"Prestwick3 00049",T2213,Prestw-495,Terconazole
}

> <pdid>
PD000848

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{441383}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -5.1996    1.4928    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  7 12  1  0
 12 13  2  0
 13  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11823

> <plate>
PLATE 011

> <well>
H3

> <supplier_cmpd_name>
Phenacetin

> <ctcr_id>
5887

> <supplier_cmpd_id>
T0778

> <smiles>
CCOc1ccc(NC(C)=O)cc1

> <pd_targets>
{KMT2A,MEN1,LMNA,CYP1A2}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein",Enzyme,Reader,"Cytochrome P450",Bromodomain,"Cytochrome P450 family 1","Cytochrome P450 family 1A","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP1 family"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Mitotic,"Biological oxidations","M Phase","Phase I - Functionalization of compounds","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Mitotic A
naphase",Xenobiotics,"Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{PTGS1}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{phenacetin,62-44-2,62442,N-(4-Ethoxyphenyl)acetamide,N(4Ethoxyphenyl)acetamide,Acetophenetidin,Acetphenetidin,Acetophenetidine,Acetophenetin,Phenacetine,4'-Ethoxyacetanilide,4'Ethoxyacetanilide,p-Ace
tophenetidide,pAcetophenetidide,Contradouleur,Achrocidin,Codempiral,Commotional,Contradol,Phenazetin,Acetamide,N-,N,T0778,1500642,Prestw-533,Phenacetin,PHENACETIN}

> <pdid>
PD001703

> <targets>
{COX}

> <classes>
{analgesic,antipyretic,Immunology/Inflammation}

> <pubchem_cids>
{4754}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 37  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.5993    0.0004    0.0000 O   0  0
   11.5958   -3.3767    0.0000 C   0  0
   10.2968   -2.6267    0.0000 C   0  0
   10.2968   -1.1267    0.0000 C   0  0
   11.5958   -0.3767    0.0000 C   0  0
   11.5958    1.1233    0.0000 C   0  0
   12.8948    1.8733    0.0000 C   0  0
   12.8948    3.3733    0.0000 C   0  0
   14.1939    4.1233    0.0000 O   0  0
   11.5958    4.1233    0.0000 C   0  0
   10.2967    3.3733    0.0000 C   0  0
   10.2968    1.8733    0.0000 C   0  0
    8.9977    1.1233    0.0000 C   0  0
    7.6987    1.8732    0.0000 O   0  0
    8.9977   -0.3767    0.0000 C   0  0
    7.6987   -1.1268    0.0000 C   0  0
    7.6987   -2.6268    0.0000 C   0  0
    8.9977   -3.3768    0.0000 C   0  0
    8.9978   -4.8768    0.0000 C   0  0
    7.6987   -5.6268    0.0000 C   0  0
    6.3997   -4.8768    0.0000 C   0  0
    6.3997   -3.3768    0.0000 C   0  0
    5.1006   -2.6268    0.0000 O   0  0
    6.3997   -0.3768    0.0000 O   0  0
    8.9977    2.6232    0.0000 O   0  0
    8.9977    4.1232    0.0000 O   0  0
   11.5927    5.6241    0.0000 C   0  0
   10.2926    6.3722    0.0000 O   0  0
   12.8904    6.3764    0.0000 N   0  0
   14.1962    1.1256    0.0000 N   0  0
   15.4941    1.8774    0.0000 C   0  0
   14.1988   -0.3744    0.0000 C   0  0
   12.8949   -1.1267    0.0000 O   0  0
   20.4948    0.3750    0.0000 O   0  0
   17.9948    0.3750    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17  6  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20  5  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 19  1  0
 24 25  1  0
 18 26  1  0
 14 27  1  0
 13 28  1  0
 12 29  1  0
 29 30  2  0
 29 31  1  0
  9 32  1  0
 32 33  1  0
 32 34  1  0
  7 35  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11824

> <plate>
PLATE 011

> <well>
H4

> <supplier_cmpd_name>
Doxycycline hyclate

> <ctcr_id>
1872

> <supplier_cmpd_id>
T1687L

> <smiles>
CCO.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Doxycycline hyclate",Periostat,24390-14-5,24390145,C22H24N2O8.HCl.0.5H2O.0.5C2H6O,CHEMBL1200567,AKOS025310153,"controlled-release doxycycline hy-clate","controlledrelease doxycycline hyclate",I015,J
10246,390D145,T1687L,S4163,"Doxycycline Hyclate"}

> <pdid>
PD051057

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{54705095}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 12  0  0  0  0            999 V2000
    5.0987    0.0000    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12  3  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11825

> <plate>
PLATE 011

> <well>
H5

> <supplier_cmpd_name>
Pyridoxine hydrochloride

> <ctcr_id>
152

> <supplier_cmpd_id>
T0973L

> <smiles>
Cl.Cc1ncc(CO)c(CO)c1O

> <pd_targets>
{HPGD,HSD17B10,KDM4E,ALDH1A1,LMNA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Oxidoreductase,Eraser,"Lysine demethylase","Jumonji domain-containing","Other nuclear protein"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Chromatin modifying enzymes","Prostaglandin synthases","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of amino acids and derivatives","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism
","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Biosynthesis of D-series resolvins","Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase"
,"Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{DDC,PDXK}

> <broad_moa>
{"vitamin B"}

> <synonyms>
{"PYRIDOXINE HYDROCHLORIDE",58-56-0,58560,"Pyridoxine HCl","Pyridoxol hydrochloride","vitamin B6",Alestrol,Becilan,Benadon,Hexavibex,Hexermin,Hexobion,Pyridipca,Beesix,Pydox,"Adermine hydrochloride","
Campoviton 6","Pyridoxine chloride",T0973L,T4754,S3113,Prestw-623,"Pyridoxine hydrochloride","Pyridoxamine dihydrochloride","Pyridoxine HCl"}

> <pdid>
PD010192

> <targets>
{Vitamin}

> <classes>
{}

> <pubchem_cids>
{6019,51064122,88396073,517312}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8983    0.7459    0.0000 O   0  0
   -2.6030    2.9977    0.0000 O   0  0
    0.0000    3.0000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  0
  8 10  1  0
  3 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11826

> <plate>
PLATE 011

> <well>
H6

> <supplier_cmpd_name>
Salicylic acid

> <ctcr_id>
13297

> <supplier_cmpd_id>
T0649

> <smiles>
c1cc(c(cc1O)C(=O)O)O

> <pd_targets>
{CA14,CA9,CA1,CA7,CA12,ALOX5,CA2}

> <pathway_gtopdb>
{Enzyme,Lyase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases","Eicosanoid turnover",Lipoxygenases}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Immune System","Transport of small molecules","Reversible hydration of carbon dioxide","Cellular responses to stress","Cytokine Signaling in Immun
e system","Metabolism of lipids","O2/CO2 exchange in erythrocytes","Cellular response to hypoxia","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","Erythrocytes 
take up carbon dioxide and release oxygen","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 family signaling","Biosynthesis of DPA-derived SPMs","Interleukin-12 signaling","
Biosynthesis of DPAn-3 SPMs","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Biosynthesis of DPAn-3-derived 13-series resolvins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"2,5-DIHYDROXYBENZOIC ACID","2,5DIHYDROXYBENZOIC ACID","gentisic acid",490-79-9,490799,"Benzoic acid, 2,5-dihydroxy-","Benzoic acid, 2,5dihydroxy","Hydroquinonecarboxylic acid",Gentisate,"5-Hydroxysa
licylic acid","5Hydroxysalicylic acid",Gensigen,Gensigon,"2,5-Dioxybenzoic acid","2,5Dioxybenzoic acid","2,5-Dhba","2,5Dhba","Gentisinic acid","Salicylic acid",5,T2857,"Gentisic acid"}

> <pdid>
PD002127

> <targets>
{Others}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{3469}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 21  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 O   0  0
   22.0998    0.7500    0.0000 C   0  0
   23.3998    0.0000    0.0000 C   0  0
   23.3998   -1.5000    0.0000 O   0  0
   24.6998    0.7500    0.0000 C   0  0
   25.9991    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11827

> <plate>
PLATE 011

> <well>
H7

> <supplier_cmpd_name>
Batyl alcohol

> <ctcr_id>
1632

> <supplier_cmpd_id>
T3004

> <smiles>
CCCCCCCCCCCCCCCCOCC(O)CO

> <pd_targets>
{HTT}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by MECP2","Regulation of MECP2 expression and activity"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Chimyl alcohol",1-O-Hexadecyl-Rac-Glycerol,1OHexadecylRacGlycerol,6145-69-3,6145693,1-O-Hexadecylglycerol,1OHexadecylglycerol,"cetyl glyceryl ether","3-hexadecoxypropane-1,2-diol","3hexadecoxypropan
e1,2diol","3-(hexadecyloxy)propane-1,2-diol","3(hexadecyloxy)propane1,2diol",1-O-Palmityl-rac-glycerol,1OPalmitylracglycerol,1-O-palmitylglycerol,1Opalmitylglycerol,3-o-hexadecyl-sn-glycerol,3ohexadec
ylsnglycerol,3-(Hexa,3(Hexa,T3004,NSC59269,"NSC 59269","Batyl alcohol","CHIMYL ALCOHOL"}

> <pdid>
PD000779

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{72733}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    2.6020   -5.9998    0.0000 C   0  0
    2.6023   -7.5007    0.0000 C   0  0
    3.9009   -8.2513    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -2.5981   -3.0050    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  5  9  1  0
  9 10  2  0
 10  2  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 13 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11828

> <plate>
PLATE 011

> <well>
H8

> <supplier_cmpd_name>
Magnolol

> <ctcr_id>
3772

> <supplier_cmpd_id>
T3000

> <smiles>
Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O

> <pd_targets>
{MAPT,FTL,KDM4E,TIM10,RORC,KMT2A,MEN1,GAA,ALDH1A1,TGR,HPGD,NPSR1,CNR2,CNR1,GABRA1,GABRB2}

> <pathway_gtopdb>
{"Other cytosolic protein","Unclassified protein","Epigenetic regulator","Transcription factor",Enzyme,"Membrane receptor","Ion channel",Eraser,"Nuclear receptor",Reader,Hydrolase,Oxidoreductase,"Fami
ly A G protein-coupled receptor","Ligand-gated ion channel","Lysine demethylase","Nuclear hormone receptor subfamily 1",Bromodomain,"Peptide receptor (family A GPCR)","Small molecule receptor (family 
A GPCR)","GABA-A receptor","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Lipid-like ligand receptor (family A GPCR)","Nuclear hor
mone receptor subfamily 1 group F member 3","Neuropeptide receptor","Cannabinoid receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Nuclear hormone receptors","3.2.1.- Glycosidases","Eicosanoid turnover","G protein-coupled receptors","1.14.11.- Histone demethylases","1F. Retinoic a
cid-related orphans","Prostaglandin synthases","Neuropeptide S receptor","Cannabinoid receptors"}

> <pathway_reactome>
{"Neuronal System","Vesicle-mediated transport","Gene expression (Transcription)",Disease,Metabolism,"Signal Transduction","Transmission across Chemical Synapses","Membrane Trafficking","RNA Polymeras
e II Transcription","Diseases of metabolism","Biological oxidations","Metabolism of lipids","Infectious disease","Signaling by GPCR","Neurotransmitter receptors and postsynaptic signal transmission","
trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Diseases of carbohydrate metabolism","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediator
s (SPMs)","Leishmania infection","GPCR downstream signalling","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX3","Glycog
en storage diseases","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","G alpha (i) signalling events","Post NMDA receptor activation events","RUNX3 Regu
lates Immune Response and Cell Migration","Glycogen storage disease type II (GAA)","Biosynthesis of D-series resolvins","Anti-inflammatory response favouring Leishmania parasite infection","Activation
 of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{GABRA1,PPARG}

> <broad_moa>
{"PPAR receptor agonist"}

> <synonyms>
{Magnolol,528-43-8,528438,"5,5'-Diallyl-(1,1'-biphenyl)-2,2'-diol","5,5'Diallyl(1,1'biphenyl)2,2'diol","5,5'-Diallyl-2,2'-biphenyldiol","5,5'Diallyl2,2'biphenyldiol","2,2'-Bichavicol","2,2'Bichavicol"
,"5,5'-Diallyl-2,2'-dihydroxybiphenyl","5,5'Diallyl2,2'dihydroxybiphenyl","NSC 293099",Dehydrodichavicol,UNII-001E35HGVF,UNII001E35HGVF,4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol,4allyl2(5allyl2hydrox
yphenyl)phenol,MFCD0001,T3000,S2321}

> <pdid>
PD010789

> <targets>
{Others,Autophagy,Bacterial,PPAR,RAR/RXR}

> <classes>
{Others,Anti-infection,Autophagy,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease}

> <pubchem_cids>
{72300}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0
    5.2111    5.9837    0.0000 C   0  0
    6.5065    5.2274    0.0000 O   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  2  0
 14  7  1  0
  5 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19  3  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11829

> <plate>
PLATE 011

> <well>
H9

> <supplier_cmpd_name>
Gastrodin

> <ctcr_id>
3316

> <supplier_cmpd_id>
T2999

> <smiles>
OCC1OC(Oc2ccc(CO)cc2)C(O)C(O)C1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"2-(hydroxymethyl)-6-(4-(hydroxymethyl)phenoxy)oxane-3,4,5-triol","2(hydroxymethyl)6(4(hydroxymethyl)phenoxy)oxane3,4,5triol","4-(hydroxymethyl)phenyl hexopyranoside","4(hydroxymethyl)phenyl hexopyra
noside",HMS3651K22,BCP27624,BBL033966,STL372891,AKOS025247993,MCULE-4897301432,MCULE4897301432,"2,2,4,5,6-PENTABROMOBIPHENYL","2,2,4,5,6PENTABROMOBIPHENYL",AK168088,VS-12351,VS12351,FT-0655910,FT06559
10,G0468,A,T2999,S2383,Gastrodin}

> <pdid>
PD021642

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3645183}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 14 15  2  0
 15  7  1  0
  2 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11830

> <plate>
PLATE 011

> <well>
H10

> <supplier_cmpd_name>
Piperine

> <ctcr_id>
4023

> <supplier_cmpd_id>
T3002

> <smiles>
O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3

> <pd_targets>
{MAOA,ALDH1A1,TRPV1,KDM4E,MAPK1,MAOB,HSD17B10,NPC1,RAB9A,RORC,TGR,AMPC,HPGD,SMN1,CYP3A4,CTSD,ALOX5,GABRA1,GABRB2,GABRG2,ABCB1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Epigenetic regulator",Transporter,"Transcription factor",Oxidoreductase,"Voltage-gated ion channel",Eraser,Kinase,Hydrolase,"Nuclear receptor",Reader,"Cytochrome P450",Protease,
"Ligand-gated ion channel","Primary active transporter","Transient receptor potential channel","Lysine demethylase","Protein Kinase","Nuclear hormone receptor subfamily 1","Methyl-lysine/arginine bind
ing protein","Cytochrome P450 family 3","Aspartic protease","GABA-A receptor","ATP-binding cassette","Jumonji domain-containing","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group
 F","Tudor domain","Cytochrome P450 family 3A","Aspartic protease AA clan","ABCB subfamily","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3
A4","Aspartic protease A1A subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Ion channels",Transporters,Receptors,"Catecholamine turnover","Voltage-gated ion channels","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Nuclear 
hormone receptors","Eicosanoid turnover","Cytochrome P450","Peptidases and proteinases","ATP-binding cassette transporter family","Transient Receptor Potential channels","1.14.11.- Histone demethylase
s","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC65 NPC-type cholesterol transporters","1F. Retinoic acid-related orphans","Prostaglandin synthases","CYP3 family","AA: Aspartic (A) Peptidases",L
ipoxygenases,"ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","A1: Pepsin","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Immune System","Signal Transduction","Gene expression (Transcription)","Metabolism of RNA","Biological oxidations","Ion channel transport","Innate Immune Sy
stem","Metabolism of amino acids and derivatives","Plasma lipoprotein assembly",remodeling,"and clearance","Signaling by Rho GTPases","RNA Polymerase II Transcription","Metabolism of lipids","Metaboli
sm of non-coding RNA","Signaling by Nuclear Receptors","Abacavir transport and metabolism","Phase I - Functionalization of compounds","Stimuli-sensing channels","Toll-like Receptor Cascades","Branched
-chain amino acid catabolism","Plasma lipoprotein clearance","Rho GTPase cycle","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","snRNP Assembly","ESR-mediat
ed signaling","Abacavir transmembrane transport","Amine Oxidase reactions","Ethanol oxidation","TRP channels","Toll Like Receptor 5 (TLR5) Cascade","LDL clearance","RHOBTB GTPase Cycle","Transcription
al regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Estrogen-dependent gene expression","Biosynthesis of DPA-derived SPMs","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and 
MAOB","MyD88 cascade initiated on plasma membrane","RHOBTB3 ATPase cycle","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Biosynth
esis of DPAn-3 SPMs","MAP kinase activation","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived 13-series resolvins","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK t
argets","ERKs are inactivated"}

> <broad_targets>
{MAOA,MAOB,TRPV1}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{piperine,94-62-2,94622,1-Piperoylpiperidine,1Piperoylpiperidine,Piperin,Bioperine,"(E,E)-1-piperoylpiperidine","(E,E)1piperoylpiperidine","FEMA No. 2909","N-((E,E)-Piperoyl)piperidine","N((E,E)Pipero
yl)piperidine",7780-20-3,7780203,"Piperidine, 1-piperoyl-, (E,E)-","Piperidine, 1piperoyl, (E,E)",UNII-U71XL721QK,UNIIU71XL721QK,(2E,4E)-5-(1,4E)5(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent,3benzodiox
ol5yl)1piperidin1ylpent,T3002,1500873,Piperine,PIPERINE}

> <pdid>
PD001540

> <targets>
{Autophagy,Endogenous Metabolite,P-glycoprotein}

> <classes>
{analeptic,antibacterial,Autophagy,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease}

> <pubchem_cids>
{638024}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 O   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  9  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  6  1  0
 18 19  2  0
 19  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11831

> <plate>
PLATE 011

> <well>
H11

> <supplier_cmpd_name>
Chrysophanic Acid

> <ctcr_id>
6506

> <supplier_cmpd_id>
T2995

> <smiles>
Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

> <pd_targets>
{KDM4E,KMT2A,MEN1,RECQL,ELANE,MAPT,PTGS2,MAPK1,CYP3A4,PTGS1,TSHR,ALDH1A1,TDP1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other cytosolic protein","Membrane receptor",Eraser,Reader,Protease,Oxidoreductase,Kinase,"Cytochrome P450","Family A G protein-coupled receptor",Hydrolase,"Lysine deme
thylase",Bromodomain,"Serine protease","Protein Kinase","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Jumonji domain-containing","Serine protease PA clan","CMGC protein kinase group",
"Cytochrome P450 family 3A","Glycohormone receptor","Serine protease S1A subfamily","CMGC protein kinase MAPK family","Cytochrome P450 3A4","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Peptidases and proteinases","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","G protein-coupled receptors","1.14.11.- Histone demethylas
es","PA: Serine (S) Peptidases",Cyclooxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Glycoprotein hormone receptors","S1: Chymotrypsin","Mitogen-activated protein kinases (MAP
 kinases)","ERK subfamily"}

> <pathway_reactome>
{"Immune System","Neuronal System",Metabolism,Disease,"DNA Repair","Innate Immune System","Transmission across Chemical Synapses","Metabolism of lipids","Infectious disease","Biological oxidations","D
NA Double-Strand Break Repair","Complement cascade","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Ca
scades","Fatty acid metabolism","Leishmania infection","Phase I - Functionalization of compounds","Nonhomologous End-Joining (NHEJ)","Regulation of Complement cascade","Activation of NMDA receptors an
d postsynaptic events","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Arachidonic acid metabolism","Leishmania parasite growth and surviva
l","Ethanol oxidation","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Synthesis of Prostaglandins (PG) an
d Thromboxanes (TX)","Anti-inflammatory response favouring Leishmania parasite infection","Activation of AMPK downstream of NMDARs","MAP kinase activation","Biosynthesis of maresin-like SPMs","ADORA2B
 mediated anti-inflammatory cytokines production","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{EGFR,MTOR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"CHRYSOPHANIC ACID",481-74-3,481743,"1,8-Dihydroxy-3-methylanthraquinone","1,8Dihydroxy3methylanthraquinone",3-Methylchrysazin,3Methylchrysazin,"Turkey rhubarb","1,8-dihydroxy-3-methylanthracene-9,10
-dione","1,8dihydroxy3methylanthracene9,10dione","NSC 37132","NSC 646567","Crysophanic acid",1,8-Dihydroxy-3-methyl-9,8Dihydroxy3methyl9,10-anthrace,10anthrace,T2995,300545,"Chrysophanic Acid",CHRYSOP
HANOL}

> <pdid>
PD002009

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{10208}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 46 52  0  0  1  0            999 V2000
   -3.2929   -7.2170    0.0000 C   0  0
   -2.0030   -6.4513    0.0000 O   0  0
   -2.0200   -4.9500    0.0000 C   0  0
   -3.3000   -4.2300    0.0000 C   0  0
   -3.3000   -2.7600    0.0000 C   0  0
   -2.0200   -2.0200    0.0000 C   0  0
   -2.0200   -0.4500    0.0000 C   0  0
   -3.9500   -0.4700    0.0000 C   0  0  2  0  0  0
   -5.0000   -1.5400    0.0000 N   0  0
   -4.6118   -2.9889    0.0000 C   0  0
   -6.5100   -1.1200    0.0000 C   0  0
   -6.9200    0.2800    0.0000 C   0  0
   -5.8400    1.3800    0.0000 C   0  0
   -6.2600    2.8500    0.0000 C   0  0
   -5.2100    3.9300    0.0000 C   0  0
   -5.6275    5.3711    0.0000 O   0  0
   -7.0838    5.7305    0.0000 C   0  0
   -3.7000    3.5300    0.0000 C   0  0
   -2.6357    4.5878    0.0000 O   0  0
   -3.0181    6.0382    0.0000 C   0  0
   -3.3000    2.0800    0.0000 C   0  0
   -0.4000    1.1200    0.0000 O   0  0
    2.2900    1.7300    0.0000 C   0  0
    3.2900    0.5100    0.0000 C   0  0
    4.8600    0.7600    0.0000 C   0  0
    5.7900   -0.4200    0.0000 C   0  0  2  0  0  0
    5.5800   -2.1500    0.0000 C   0  0
    4.2600   -2.8700    0.0000 C   0  0
    3.0600   -2.1300    0.0000 C   0  0
    1.7700   -2.8300    0.0000 C   0  0
    1.7300   -4.2600    0.0000 C   0  0
    0.4800   -4.9800    0.0000 O   0  0
   -0.7800   -4.2300    0.0000 C   0  0
   -0.7800   -2.7600    0.0000 C   0  0
    2.9600   -5.0100    0.0000 C   0  0
    4.2400   -4.3200    0.0000 C   0  0
    7.3300   -0.1600    0.0000 N   0  0
    8.2718   -1.3275    0.0000 C   0  0
    7.8900    1.2400    0.0000 C   0  0
    6.8600    2.4600    0.0000 C   0  0
    5.4200    2.1700    0.0000 C   0  0
    4.4600    3.3900    0.0000 C   0  0
    2.9200    3.1100    0.0000 C   0  0
    1.9893    4.2884    0.0000 O   0  0
    2.5428    5.6825    0.0000 C   0  0
   -4.3700    0.9800    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  1
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 33  3  1  0
 33 34  2  0
 34  6  1  0
 31 35  1  0
 35 36  2  0
 36 28  1  0
 26 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 25  2  0
 41 42  1  0
 42 43  2  0
 43 23  1  0
 43 44  1  0
 44 45  1  0
 21 46  2  0
 46  8  1  0
 46 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11832

> <plate>
PLATE 012

> <well>
A2

> <supplier_cmpd_name>
Tetrandrine

> <ctcr_id>
4926

> <supplier_cmpd_id>
T2996

> <smiles>
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34

> <pd_targets>
{RORC,CACNA1S,KMT2A,MEN1,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,CACNA1C,CACNA1D,ADRA1A,ADRA1B,ADRA1D,TP53,REP,ABCB1,SLC6A3,LEF,TGR}

> <pathway_gtopdb>
{"Transcription factor","Ion channel","Epigenetic regulator","Membrane receptor",Enzyme,Transporter,"Nuclear receptor","Voltage-gated ion channel",Reader,"Family A G protein-coupled receptor",Transfer
ase,"Primary active transporter","Nuclear hormone receptor subfamily 1","Voltage-gated calcium channel",Bromodomain,"Small molecule receptor (family A GPCR)","ATP-binding cassette","Nuclear hormone re
ceptor subfamily 1 group F","Monoamine receptor","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Acetylcholine receptor","Adrenergic receptor","Electrochemical transporter","
SLC superfamily of solute carriers","SLC06 neurotransmitter transporter family",Protease,"Metallo protease","Metallo protease MAE clan","Metallo protease M34 family"}

> <pathway_chembl>
{Receptors,"Ion channels","Other protein targets",Transporters,"Nuclear hormone receptors","Voltage-gated ion channels","Anti-infective targets","ATP-binding cassette transporter family","1F. Retinoic
 acid-related orphans","Voltage-gated calcium channels","Viral protein targets","ABCB subfamily","Coronavirus (CoV) proteins","SLC superfamily of solute carriers","SLC6 neurotransmitter transporter fa
mily","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Developmental Biology","Cell Cycle",Disease,Metabolism,"RNA Polymerase II Transcription","Nervous system development","Cell Cycle Checkpoints","Infectious disease",
"Abacavir transport and metabolism","Generic Transcription Pathway","Axon guidance","G1/S DNA Damage Checkpoints","SARS-CoV Infections","Abacavir transmembrane transport","Transcriptional regulation b
y RUNX3","NCAM signaling for neurite out-growth","p53-Dependent G1/S DNA damage checkpoint","SARS-CoV-2 Infection","RUNX3 Regulates Immune Response and Cell Migration","NCAM1 interactions","p53-Depend
ent G1 DNA Damage Response","SARS-CoV-2 Genome Replication and Transcription","Stabilization of p53","Replication of the SARS-CoV-2 genome","Autodegradation of the E3 ubiquitin ligase COP1","Disorders
 of transmembrane transporters","SLC transporter disorders","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Uptake and actions of bacterial toxins","Uptake and function of anthrax t
oxins"}

> <broad_targets>
{SLC6A3}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{tetrandrine,518-34-3,518343,D-Tetrandrine,DTetrandrine,(+)-Tetrandrine,(+)Tetrandrine,Fanchinine,Tetrandrin,"Sinomenine A",hanjisong,"(S,S)-Tetrandrine","(S,S)Tetrandrine",DL-Tetrandine,DLTetrandine,
"(S,S)-(+)-Tetrandrine","(S,S)(+)Tetrandrine","NSC 77037","Hanfangchin A",NSC-77037,NSC77037,(+-)-Tetrandine,(+)Tetrandine,d-Tetrandr,dTetrandr,CHEBI:49,UNII-29EX23D5,UNII29EX23D5,T2996,1504185,Tetran
drine,TETRANDRINE}

> <pdid>
PD001239

> <targets>
{}

> <classes>
{antihypertensive,antineoplastic,analgesic,lymphotoxin}

> <pubchem_cids>
{73078}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 10  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
    5.0987    0.0000    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  4  8  1  0
  2  9  1  0
  1 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11833

> <plate>
PLATE 012

> <well>
A3

> <supplier_cmpd_name>
Ligustrazine hydrochloride

> <ctcr_id>
11064

> <supplier_cmpd_id>
T2953

> <smiles>
c1(c(nc(c(n1)C)C)C)C.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"Ligustrazine hydrochloride",76494-51-4,76494514,"Ligustrazine HCl","2,3,5,6-tetramethylpyrazine hydrochloride","2,3,5,6tetramethylpyrazine hydrochloride",UNII-7YYD00RL0S,UNII7YYD00RL0S,"Ligustrazine
 (hydrochloride)",7YYD00RL0S,"Chuanxiongzine hydrochloride;Tetramethylpyrazine hydrochloride",T2953}

> <pdid>
PD056176

> <targets>
{Others}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{156709}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 43 48  0  0  0  0            999 V2000
    1.2626   -2.2300    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 O   0  0
    0.0000    3.0000    0.0000 C   0  0
    2.5629    0.0216    0.0000 C   0  0
    2.5262    1.5212    0.0000 C   0  0
    3.8064    2.3028    0.0000 C   0  0
    3.7697    3.8023    0.0000 O   0  0
    5.1235    1.5848    0.0000 C   0  0
    6.4037    2.3664    0.0000 O   0  0
    5.1602    0.0853    0.0000 C   0  0
    3.8799   -0.6963    0.0000 C   0  0
    2.5235   -3.0440    0.0000 C   0  0
    2.4774   -4.5421    0.0000 C   0  0
    3.7528   -5.3316    0.0000 O   0  0
    5.0742   -4.6217    0.0000 C   0  0
    5.1202   -3.1224    0.0000 C   0  0
    3.8447   -2.3330    0.0000 C   0  0
    6.4416   -2.4126    0.0000 C   0  0
    6.4875   -0.9133    0.0000 O   0  0
    7.7170   -3.2020    0.0000 C   0  0
    7.6711   -4.7013    0.0000 C   0  0
    8.9465   -5.4907    0.0000 O   0  0
    6.3497   -5.4111    0.0000 C   0  0
    1.1553   -5.2523    0.0000 C   0  0
   -0.1215   -4.4649    0.0000 C   0  0
   -1.4418   -5.1768    0.0000 C   0  0
   -2.7185   -4.3894    0.0000 O   0  0
   -1.4854   -6.6762    0.0000 C   0  0
   -2.8057   -7.3881    0.0000 O   0  0
   -0.2087   -7.4636    0.0000 C   0  0
    1.1116   -6.7517    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  2  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  4  1  0
  2 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 16  1  0
  1 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 24  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 27  1  0
 25 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  0
 38 40  2  0
 40 41  1  0
 40 42  1  0
 42 43  2  0
 43 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11834

> <plate>
PLATE 012

> <well>
A4

> <supplier_cmpd_name>
Proanthocyanidins

> <ctcr_id>
11065

> <supplier_cmpd_id>
T2849

> <smiles>
O(C1(Oc2c(C(O)C1O)c(O)cc(O)c2)c1cc(O)c(O)cc1)C1C(Oc2c(C1)c(O)cc(O)c2)c1cc(O)c(O)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Procyanidin,4852-22-6,4852226,20347-71-1,20347711,Procyanidins,"BRN 1675863","Procyanidin, Technical grade",SCHEMBL15091123,DTXSID90858698,CHEBI:166895,BCP25503,HY-N0794,HYN0794,C31H28O12,MFCD0166285
1,s5105,AKOS025402316,AC-8032,AC8032,CCG-270176,CCG270176,CCG-270178,CCG270178,AK321485,CS,T2849,Proanthocyanidins}

> <pdid>
PD056281

> <targets>
{Antioxidant,Bacterial,Fungal}

> <classes>
{oxidation-reduction,Anti-infection}

> <pubchem_cids>
{107876}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 38  0  0  1  0            999 V2000
    1.2636   -2.2496    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5801    0.0303    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0  2  0  0  0
   -2.5981   -4.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 C   0  0  2  0  0  0
   -7.7942   -3.0000    0.0000 C   0  0
   -9.0933   -3.7501    0.0000 C   0  0  2  0  0  0
   -9.0565   -2.2505    0.0000 C   0  0
   -9.0933   -5.2501    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0
   -6.4952   -5.2500    0.0000 C   0  0  1  0  0  0
   -6.4952   -6.7500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0  1  0  0  0
   -3.0311   -4.2500    0.0000 C   0  0
  -10.3567   -4.5216    0.0000 C   0  0
  -11.6557   -3.7715    0.0000 O   0  0
  -10.3574   -6.0216    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10  2  1  0
 10 11  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15  8  1  0
 15 16  1  6
 16 17  2  0
 16 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  1
 21 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 20  1  0
 26 27  1  6
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 13  1  0
 30 19  1  0
 30 31  1  1
 22 32  1  0
 32 33  1  0
 32 34  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11835

> <plate>
PLATE 012

> <well>
A5

> <supplier_cmpd_name>
Glycyrrhetinic acid

> <ctcr_id>
7557

> <supplier_cmpd_id>
T2745

> <smiles>
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O

> <pd_targets>
{PYGM,HSD11B1,LMNA,FFP,MAPT,CES2,PTPN1,ALD,PTPN11,AKR1B10,CYP3A4,HSD11B2,CES1,PTPN6,PRKCH,SLCO1B3,ALOX5,SLCO1B1,GLO1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Other cytosolic protein",Transporter,Transferase,Protease,Oxidoreductase,Hydrolase,Phosphatase,"Cytochrome P450",Kinase,"Electrochemical transporter",Lyase,"Cysteine p
rotease","Protein Phosphatase","Cytochrome P450 family 3","Protein Kinase","SLC superfamily of solute carriers","Cysteine protease CA clan","Tyrosine protein phosphatase","Cytochrome P450 family 3A","
AGC protein kinase group","SLC21/SLCO family of organic anion transporting polypeptides","Cysteine protease C1A family","Cytochrome P450 3A4","AGC protein kinase PKC family","AGC protein kinase PKC et
a subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"1.-.-.- Oxidoreductases",Phosphatases,"Cytochrome P450",Hydrolases,"Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Eicosanoid turnover","Protein tyrosine phosphatas
es non-receptor type (PTPN)","CYP3 family","AGC: Containing PKA",PKG,"PKC families","SLCO family of organic anion transporting polypeptides",Lipoxygenases,"Protein kinase C (PKC) family","Eta subfamil
y"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Neuronal System","Gene expression (Transcription)","Immune System","Signal Transduction","Metabolism of carbohydrates","Metabolism of lipids",Mitotic,"Transmission across Che
mical Synapses","Biological oxidations","RNA Polymerase II Transcription","Innate Immune System","Metabolism of vitamins and cofactors","Cytokine Signaling in Immune system","Signaling by GPCR","The c
itric acid (TCA) cycle and respiratory electron transport","Glycogen metabolism","Metabolism of steroids","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functio
nalization of compounds","Generic Transcription Pathway","Toll-like Receptor Cascades","Metabolism of fat-soluble vitamins","Biosynthesis of specialized proresolving mediators (SPMs)","Interferon Sign
aling","GPCR downstream signalling","Pyruvate metabolism and Citric Acid (TCA) cycle","Glycogen breakdown (glycogenolysis)","Metabolism of steroid hormones","Mitotic Metaphase and Anaphase","Activatio
n of NMDA receptors and postsynaptic events","Transcriptional Regulation by MECP2","Toll Like Receptor 4 (TLR4) Cascade","Retinoid metabolism and transport","Biosynthesis of DHA-derived SPMs","Interfe
ron alpha/beta signaling","G alpha (z) signalling events","Bile acid and bile salt metabolism","Biosynthesis of DPA-derived SPMs","Pyruvate metabolism","Glucocorticoid biosynthesis","Mitotic Anaphase"
,"Post NMDA receptor activation events","MECP2 regulates neuronal receptors and channels","MyD88-independent TLR4 cascade","Biosynthesis of maresins","Regulation of IFNA signaling","Recycling of bile 
acids and salts","Biosynthesis of DPAn-3 SPMs","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","TRIF(TICAM1)-mediated TLR4 signaling","Biosynthesis of maresin-like SPMs","
Biosynthesis of DPAn-3-derived 13-series resolvins","Initiation of Nuclear Envelope (NE) Reformation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{HSD11B1}

> <broad_moa>
{"gap junction modulator"}

> <synonyms>
{enoxolone,471-53-4,471534,"Glycyrrhetic acid","GLYCYRRHETINIC ACID","Uralenic acid","18-beta-Glycyrrhetinic acid","18betaGlycyrrhetinic acid","18beta-Glycyrrhetinic acid","Rhetinic Acid",Glycyrrhetin
,Biosone,Arthrodont,"alpha-Glycyrrhetinic acid","alphaGlycyrrhetinic acid",3beta-Hydroxy-11-oxoolean-12-en-30-o,3betaHydroxy11oxoolean12en30o,S2296,Enoxolone}

> <pdid>
PD001522

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{10114}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1882   -2.6402    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248    1.2135    0.0000 N   0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  1  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11836

> <plate>
PLATE 012

> <well>
A6

> <supplier_cmpd_name>
Isatin

> <ctcr_id>
11066

> <supplier_cmpd_id>
T6862

> <smiles>
C1=CC=C2C(=C1)C(=O)C(=O)N2

> <pd_targets>
{MAOA,MAOB}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,Isomerase}

> <pathway_chembl>
{Enzymes,"Catecholamine turnover"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Amine Oxidase reactions","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Isatin,91-56-5,91565,"1H-Indole-2,3-dione","1HIndole2,3dione","Indoline-2,3-dione","Indoline2,3dione","2,3-Indolinedione","2,3Indolinedione","INDOLE-2,3-DIONE","INDOLE2,3DIONE",Isatine,"2,3-Dioxoindo
line","2,3Dioxoindoline",Pseudoisatin,"Isatic acid lactam",Isotin,"2,3-Diketoindoline","2,3Diketoindoline","Isatinic acid anhydride","2,3-Ketoindoline","2,3Ketoindoline",o-Aminobenzoylf,oAminobenzoylf
,T6862}

> <pdid>
PD008558

> <targets>
{MAO,Apoptosis,Monoamine Oxidase}

> <classes>
{Metabolism,Apoptosis,Neuronal Signaling}

> <pubchem_cids>
{7054}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -2.5981    1.5000    0.0000 O   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  6  1  0
  4 14  1  0
 14 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11837

> <plate>
PLATE 012

> <well>
A7

> <supplier_cmpd_name>
Scoparone

> <ctcr_id>
11067

> <supplier_cmpd_id>
T2729

> <smiles>
COc1c(cc2c(c1)ccc(=O)o2)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Scoparone,"6,7-DIMETHOXYCOUMARIN","6,7DIMETHOXYCOUMARIN",120-08-1,120081,"6,7-Dimethylesculetin","6,7Dimethylesculetin",Escoparone,Scoparon,"Aesculetin dimethyl ether","6,7-Dimethoxy-2-benzopyrone","
6,7Dimethoxy2benzopyrone","Esculetin dimethyl ether","6,7-Dimethoxy-2H-chromen-2-one","6,7Dimethoxy2Hchromen2one","6,7-dimethoxychromen-2-one","6,7dimethoxychromen2one",2H-1-Benzo,2H1Benzo,T2729}

> <pdid>
PD044382

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{8417}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    1.2623   -2.2495    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5625    0.0216    0.0000 C   0  0
    3.8972   -0.6630    0.0000 O   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981    0.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8994   -0.7523    0.0000 C   0  0
   -5.1981   -1.5046    0.0000 C   0  0
   -6.4994   -0.7568    0.0000 C   0  0
   -7.8507   -1.3779    0.0000 C   0  0
   -8.1539   -2.8469    0.0000 O   0  0
   -8.8544   -0.2632    0.0000 C   0  0
   -8.1045    1.0359    0.0000 O   0  0
   -6.6372    0.7240    0.0000 C   0  0
   -5.5166    1.7211    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 11 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25  2  1  0
 25  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11838

> <plate>
PLATE 012

> <well>
A8

> <supplier_cmpd_name>
Andrographolide

> <ctcr_id>
1541

> <supplier_cmpd_id>
T2898

> <smiles>
CC1(CO)C(O)CCC2(C)C(CC=C3C(O)COC3=O)C(=C)CCC12

> <pd_targets>
{RORC,KMT2A,MEN1,CYP3A4,NR1H4,NFKB1}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator",Enzyme,"Nuclear receptor",Reader,"Cytochrome P450","Nuclear hormone receptor subfamily 1",Bromodomain,"Cytochrome P450 family 3","Nuclear hormone recepto
r subfamily 1 group F","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Other cytosolic protein","Nuclear hormone receptor subfamily 1 group H
","Nuclear hormone receptor subfamily 1 group H member 4"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","1F. Retinoic acid-related orphans","CYP3 family","1H. Liver X receptor-like receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Metabolism of lipids","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Tran
scriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs","Immune System",
"Cytokine Signaling in Immune system","Metabolism of steroids","Signaling by Interleukins","Bile acid and bile salt metabolism","Interleukin-1 family signaling","Synthesis of bile acids and bile salts
","Interleukin-1 signaling","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","MAP3K8 (TPL2)-dependent MAPK1/3 activation"}

> <broad_targets>
{IL1B,IL6,NFKB1,NFKB2,TNF}

> <broad_moa>
{"tumor necrosis factor production inhibitor"}

> <synonyms>
{Andropanolide,5508-58-7,5508587,869807-57-8,869807578,BCP28277,MCULE-4379391397,MCULE4379391397,NCI60_003675,NCI60003675,NCI60-003675,"NCI60 003675",S2261,Andrographolide}

> <pdid>
PD002017

> <targets>
{Others,Autophagy,Influenza Virus,NF-ºB,SARS-CoV}

> <classes>
{Others,Anti-infection,Autophagy,NF-ºB}

> <pubchem_cids>
{343585}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 O   0  0
    1.8032    3.1233    0.0000 C   0  0
    0.3114    2.9665    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 O   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20  7  1  0
 20 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11839

> <plate>
PLATE 012

> <well>
A9

> <supplier_cmpd_name>
Imperatorin

> <ctcr_id>
3461

> <supplier_cmpd_id>
T2845

> <smiles>
CC(C)=CCOc1c2occc2cc3C=CC(=O)Oc13

> <pd_targets>
{GAA,BACE1,ALD,CYP3A4,ALDH1A1,CYP1B1,ABCB1}

> <pathway_gtopdb>
{Enzyme,Transporter,Hydrolase,Protease,"Cytochrome P450",Oxidoreductase,"Primary active transporter","Aspartic protease","Cytochrome P450 family 3","Cytochrome P450 family 1","ATP-binding cassette","A
spartic protease AA clan","Cytochrome P450 family 3A","Cytochrome P450 family 1B","ABCB subfamily","Aspartic protease A1A subfamily","Cytochrome P450 3A4","Cytochrome P450 1B1"}

> <pathway_chembl>
{Enzymes,Transporters,"3.2.1.- Glycosidases","Peptidases and proteinases","Cytochrome P450","ATP-binding cassette transporter family","AA: Aspartic (A) Peptidases","CYP3 family","CYP1 family","ABCB su
bfamily","A1: Pepsin"}

> <pathway_reactome>
{Disease,"Metabolism of proteins",Metabolism,"Diseases of metabolism","Amyloid fiber formation","Metabolism of lipids","Biological oxidations","Abacavir transport and metabolism","Diseases of carbohyd
rate metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Abacavir transmembrane transport","Glycogen storage diseases","Biosynthesis of 
DHA-derived SPMs","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","Glycogen storage disease type II (GAA)","Biosynthesis of maresins","Endogenous sterols","Biosynthesis of maresin-l
ike SPMs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{IMPERATORIN,482-44-0,482440,Ammidin,Marmelosin,Pentosalen,8-Isoamylenoxypsoralen,8Isoamylenoxypsoralen,8-Isopentenyloxypsoralene,8Isopentenyloxypsoralene,Marmelide,"NSC 402949","9-(3-methylbut-2-enox
y)furo(3,2-g)chromen-7-one","9(3methylbut2enoxy)furo(3,2g)chromen7one","7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-","7HFuro(3,2g)(1)benzopyran7one, 9((3methyl2butenyl)oxy)",UNII,T
2845,102076,Imperatorin}

> <pdid>
PD013745

> <targets>
{AChE,TRP Channel}

> <classes>
{anticonvulsant,antiinflammatory,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{10212}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    3.8794    3.7535    0.0000 O   0  0
    5.1821    3.0099    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8977   -3.7504    0.0000 C   0  0
   -5.1981   -3.0025    0.0000 C   0  0
   -6.4959   -3.7546    0.0000 C   0  0
   -6.4935   -5.2546    0.0000 C   0  0
   -7.7914   -6.0067    0.0000 O   0  0
   -5.1933   -6.0025    0.0000 C   0  0
   -3.8955   -5.2505    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    5.2059   -2.9909    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.7988   -1.4819    0.0000 O   0  0
    6.4920    0.7636    0.0000 C   0  0
    7.7884    1.5180    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18  7  1  0
 18 12  2  0
 15 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
  5 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30  3  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11840

> <plate>
PLATE 012

> <well>
A10

> <supplier_cmpd_name>
Puerarin

> <ctcr_id>
5298

> <supplier_cmpd_id>
T2815

> <smiles>
OCC1OC(Oc2c(O)ccc3C(=O)C(=COc23)c4ccc(O)cc4)C(O)C(O)C1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS3656O07,A823381,S2346,Puerarin}

> <pdid>
PD010750

> <targets>
{Others,5-HT Receptor}

> <classes>
{Others,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{6166169}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -1.2991    5.2507    0.0000 C   0  0
   -0.0012    6.0029    0.0000 C   0  0
   -0.0036    7.5029    0.0000 C   0  0
   -1.3039    8.2509    0.0000 C   0  0
   -2.6017    7.4988    0.0000 C   0  0
   -2.5993    5.9988    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10  4  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13  2  1  0
 13 14  1  0
  6 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11841

> <plate>
PLATE 012

> <well>
A11

> <supplier_cmpd_name>
Baicalein

> <ctcr_id>
4052

> <supplier_cmpd_id>
T2858

> <smiles>
Oc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3

> <pd_targets>
{CYP1A1,GRK6,ALOX15,XDH,KMT2A,MEN1,CDK1,KDM4E,APEX1,MAPT,FFP,THRB,RORC,ALOX15B,DXR,AURKB,LOX1.1,ALOX12,ALOX5,LEF,BLM,CYP2C9,HPGD,TP53,PTGS1,PTGS2,POL,PREP,ALD,SI,UGT1A1,HSD17B10,ALDH1A1,GLO1,L3MBTL1,C
SNK2A1,CSNK2A2,CSNK2A3,CSNK2B,RECQL,SMN1,KDM1A,CYP1B1,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,CYP3A4,DYRK1A,HSD17B3,LOX1.5,CCNB1,HBB
,CYP1A2,CYP2D6,PTPRS,REP,CYP2C19,ABCB1,GPR35,CREB1,PRSS1,PRSS2,PRSS3,CACNA1C}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Transcription factor","Ion channel","Secreted protein",Transporter,"Membrane receptor","Unclassified protein","Cytochrome P450",Kinase,Oxidore
ductase,Reader,Eraser,Transferase,"Nuclear receptor",Protease,Hydrolase,Lyase,"Ligand-gated ion channel",Phosphatase,"Primary active transporter","Family A G protein-coupled receptor","Voltage-gated i
on channel","Cytochrome P450 family 1","Protein Kinase",Bromodomain,"Lysine demethylase","Nuclear hormone receptor subfamily 1","Metallo protease","Cytochrome P450 family 2","Serine protease","Methyl-
lysine/arginine binding protein","GABA-A receptor","Cytochrome P450 family 3","Protein Phosphatase","Cysteine protease","ATP-binding cassette","Small molecule receptor (family A GPCR)","Voltage-gated 
calcium channel","Cytochrome P450 family 1A","AGC protein kinase group","CMGC protein kinase group","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor
 subfamily 1 group F","Other protein kinase group","Metallo protease MAE clan","Cytochrome P450 family 2C","Serine protease SC clan","MBT domain","Tudor domain","Lysine-specific demethylase","Cytochro
me P450 family 1B","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Tyrosine protein phosphatase","Cysteine protease CA clan","ABCB subfamily","Carboxylic acid receptor","Serine protease PA cl
an","Cytochrome P450 1A1","AGC protein kinase GRK family","CMGC protein kinase CDK family","Nuclear hormone receptor subfamily 1 group A member 2","Nuclear hormone receptor subfamily 1 group F member 
3","Other protein kinase AUR family","Metallo protease M34 family","Cytochrome P450 2C9","Serine protease S9A subfamily","Other protein kinase CK2 family","Cytochrome P450 1B1","Cytochrome P450 3A4","
CMGC protein kinase DYRK family","Cytochrome P450 2D6","Receptor tyrosine-protein phosphatase","Cysteine protease C1A family","Cytochrome P450 2C19","Kynurenic acid receptor","Serine protease S1A subf
amily","AGC protein kinase GRK subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Ion channels","Cytochrome P450","Kinases (EC 2.7.x.x)","Eicosanoid turnover","1.-.-.- Oxidoreductases","Chromatin modifying enzymes","Nuclear h
ormone receptors","Catalytic receptors","Peptidases and proteinases","UDP glucuronosyltransferases (UGT)","Anti-infective targets","ATP-binding cassette transporter family","G protein-coupled receptor
s","Voltage-gated ion channels","CYP1 family","AGC: Containing PKA",PKG,"PKC families",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases","1A. Thyroid hormo
ne receptors","1F. Retinoic acid-related orphans","Receptor kinases","CYP2 family: drug metabolising subset","Prostaglandin synthases","SC: Serine (S) Peptidases","CYP3 family","Receptor tyrosine phos
phatase (RTP) family","Viral protein targets","ABCB subfamily","Orphan and other 7TM receptors","Voltage-gated calcium channels","G protein-coupled receptor kinases (GRKs)","Cyclin-dependent kinase (C
DK) family","Other protein kinases","S9: Prolyl oligopeptidase","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Coronavirus (CoV) proteins","Class A Orphans","GRK4 subf
amily","CDK1 subfamily","Aurora kinase (Aur) family","Dyrk1 subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Cell Cycle","DNA Repair","Neuronal System","Metabolism of proteins","Gene expression (Transcription)",Disease,"Metabolism of RNA","Immune System","Developmental Biol
ogy","Biological oxidations","Signaling by GPCR","Metabolism of lipids","Metabolism of nucleotides",Mitotic,"Base Excision Repair","Transmission across Chemical Synapses","Post-translational protein m
odification","RNA Polymerase II Transcription","Infectious disease","DNA Double-Strand Break Repair","Cell Cycle Checkpoints","Diseases of metabolism","Metabolism of amino acids and derivatives","The 
citric acid (TCA) cycle and respiratory electron transport","Metabolism of non-coding RNA","Intracellular signaling by second messengers","Innate Immune System","Signaling by Receptor Tyrosine Kinases
","Abacavir transport and metabolism","Nervous system development","Phase I - Functionalization of compounds","GPCR downstream signalling","Biosynthesis of specialized proresolving mediators (SPMs)","
Nucleobase catabolism","Regulation of mitotic cell cycle","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and postsynaptic signal transmission",SUMOylation,"Generic Transcription P
athway","Fatty acid metabolism","M Phase","Uptake and actions of bacterial toxins","Homology Directed Repair","G1/S DNA Damage Checkpoints","Diseases of carbohydrate metabolism","Metabolic disorders o
f biological oxidation enzymes","Branched-chain amino acid catabolism","Pyruvate metabolism and Citric Acid (TCA) cycle","snRNP Assembly","PIP3 activates AKT signaling","Mitotic G1 phase and G1/S tran
sition","Neutrophil degranulation","Signaling by NTRKs","SARS-CoV Infections","Abacavir transmembrane transport","GPCR ligand binding","Toll-like Receptor Cascades","Axon guidance","Cytochrome P450 - 
arranged by substrate type","G alpha (s) signalling events","Biosynthesis of DPA-derived SPMs","Purine catabolism","APC/C-mediated degradation of cell cycle proteins","Resolution of AP sites via the m
ultiple-nucleotide patch replacement pathway","Activation of NMDA receptors and postsynaptic events","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX3","Arachidonic acid
 metabolism","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","
p53-Dependent G1/S DNA damage checkpoint","Intestinal saccharidase deficiencies","Defective UGT1A1 causes hyperbilirubinemia","Ethanol oxidation","Pyruvate metabolism","Transcriptional Regulation by T
P53","PTEN Regulation","G0 and Early G1","Fatty acyl-CoA biosynthesis","Signaling by NTRK3 (TRKC)","SARS-CoV-2 Infection","Class A/1 (Rhodopsin-like receptors)","Toll Like Receptor 5 (TLR5) Cascade","
NCAM signaling for neurite out-growth",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","PCNA-Dependent Long Patch Base Excision
 Repair","Post NMDA receptor activation events","SUMOylation of intracellular receptors","RUNX3 Regulates Immune Response and Cell Migration","Synthesis of 15-eicosatetraenoic acid derivatives","Mitot
ic Anaphase","HDR through Homologous Recombination (HRR)","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","Regulation of TP53 Activity","Regulation of PTEN gene transcripti
on","Endogenous sterols","Biosynthesis of maresins","Synthesis of very long-chain fatty acyl-CoAs","SARS-CoV-2 Genome Replication and Transcription","MyD88 cascade initiated on plasma membrane","NCAM1
 interactions","Biosynthesis of DPAn-3-derived protectins and resolvins","APC/C:Cdc20 mediated degradation of mitotic proteins","Activation of AMPK downstream of NMDARs","Separation of Sister Chromati
ds","Biosynthesis of DPAn-3-derived maresins","Biosynthesis of DPAn-3-derived 13-series resolvins","Homologous DNA Pairing and Strand Exchange","CYP2E1 reactions","Stabilization of p53","Regulation of
 TP53 Activity through Methylation","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Replication of the SARS-CoV-2 genome","MAP kinase activation
","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Presynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3
 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","CREB phosphorylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{baicalein,491-67-8,491678,"5,6,7-Trihydroxyflavone","5,6,7Trihydroxyflavone","5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one","5,6,7trihydroxy2phenyl4Hchromen4one",Noroxylin,BaiKalein,"5,6,7-trihydroxy-2
-phenylchromen-4-one","5,6,7trihydroxy2phenylchromen4one",Baicelein,MFCD00017459,UNII-49QAH60606,UNII49QAH60606,NSC661431,CHEMBL8260,4H-1-Benzopyran-4-one,4H1Benzopyran4one,5,6,7-trih,7trih,T2858,1504
002,Baicalein,BAICALEIN}

> <pdid>
PD000773

> <targets>
{Ferroptosis,Influenza Virus,Xanthine Oxidase}

> <classes>
{antiviral (HIV),Anti-infection,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5281605}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6061    6.0003    0.0000 C   0  0
   -2.6061    7.5003    0.0000 C   0  0
   -1.3071    8.2503    0.0000 C   0  0
   -0.0080    7.5003    0.0000 C   0  0
   -0.0080    6.0003    0.0000 C   0  0
   -1.3071    9.7511    0.0000 S   0  0
   -0.0079   10.5008    0.0000 O   0  0
   -1.3065   11.2511    0.0000 O   0  0
   -2.6064   10.5023    0.0000 N   0  0
   -2.6065   12.0032    0.0000 C   0  0
   -3.9040   12.7559    0.0000 C   0  0
   -3.9010   14.2558    0.0000 C   0  0
   -2.6004   15.0032    0.0000 C   0  0
   -1.3029   14.2506    0.0000 C   0  0
   -1.3059   12.7506    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11842

> <plate>
PLATE 012

> <well>
B2

> <supplier_cmpd_name>
Sulfasalazine

> <ctcr_id>
6347

> <supplier_cmpd_id>
T0907

> <smiles>
OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3

> <pd_targets>
{CASP1,CA1,CA2,LMNA,AKR1B1,MAPK1,AR,HPGD,ALDH1A1,HIF1A,TSHR,MAPT,SLC7A11,MMP1,KMT2A,MEN1,SLC46A1,TNF,SLCO1B3,ABCC3,SLCO2B1,SLCO1B1,TBXAS1,ABCC4,SLC10A1,PTGS1,PTGS2,ALOX5,PPARG,CHUK,IKBKB,ACAT1,PLA2G1B
}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Membrane receptor","Other cytosolic protein",Transporter,"Epigenetic regulator","Secreted protein",Protease,Lyase,Oxidoreductase,Kinase,"Nuclear
 receptor","Family A G protein-coupled receptor","Electrochemical transporter",Reader,"Primary active transporter","Cytochrome P450",Transferase,Hydrolase,"Cysteine protease","Protein Kinase","Nuclear
 hormone receptor subfamily 3","Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Metallo protease",Bromodomain,"ATP-binding cassette","Cytochrome P450 family 5","Nuclear hormone
 receptor subfamily 1","Cysteine protease CD clan","CMGC protein kinase group","Nuclear hormone receptor subfamily 3 group C","Glycohormone receptor","SLC03 and SLC07 families of heteromeric amino aci
d transporters (HATs)","Metallo protease MAM clan","SLC46 family of folate transporters","SLC21/SLCO family of organic anion transporting polypeptides","ABCC subfamily","Cytochrome P450 family 5A","SL
C10 family of sodium-bile acid co-transporters","Nuclear hormone receptor subfamily 1 group C","Other protein kinase group","Cysteine protease C14 family","CMGC protein kinase MAPK family","Nuclear ho
rmone receptor subfamily 3 group C member 4","SLC07 Cationic amino acid transporter/glycoprotein-associated family","Metallo protease M10A subfamily","Cytochrome P450 5A1","Nuclear hormone receptor su
bfamily 1 group C member 3","Other protein kinase IKK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Peptidases and proteinases","Carbonic anhydrases","1.-.-.- Oxidoreductases","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Eicosanoid turnover","G protein-coupled
 receptors","SLC superfamily of solute carriers","ATP-binding cassette transporter family","Cytochrome P450","Catalytic receptors","Lanosterol biosynthesis pathway","Glycerophospholipid turnover","CD:
 Cysteine (C) Peptidases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Steroid hormone receptors","Prostaglandin synthases","Glycoprotein hormone receptors","SLC3 and SLC7 families of heteromeric 
amino acid transporters (HATs)","MA: Metallo (M) Peptidases","SLC46 family of folate transporters","SLCO family of organic anion transporting polypeptides","ABCC subfamily",CYP5,"CYP7 and CYP8 familie
s","SLC10 family of sodium-bile acid co-transporters",Lipoxygenases,Cyclooxygenase,"1C. Peroxisome proliferator-activated receptors","Receptor kinases","Phospholipase A<sub>2</sub>","C14: Caspase","Mi
togen-activated protein kinases (MAP kinases)","3C. 3-Ketosteroid receptors","SLC7 family","M10: Matrix metallopeptidase","Other protein kinases","ERK subfamily","IKK family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Transport of small molecules","Cell Cycle",Metabolism,"Cellular responses to external stimuli",Disease,"Neuronal System",Hemostasis,"RNA Polymerase 
II Transcription","Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes",Mitotic,"Metabolism of lipids","Innate Immune System","Biological oxidations","Cellular responses to stress","
Infectious disease","Transmission across Chemical Synapses","SLC-mediated transmembrane transport","Metabolism of vitamins and cofactors","Platelet activation","signaling and aggregation","Generic Tra
nscription Pathway","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","M Phase","Metabolism of steroids","Toll-like Receptor Cascades","Biosynthesis of specialized p
roresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular response to hypoxia","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Transp
ort of inorganic cations/anions and amino acids/oligopeptides","Metabolism of water-soluble vitamins and cofactors","Transport of vitamins",nucleosides,"and related molecules","Response to elevated pl
atelet cytosolic Ca2+","Fatty acid metabolism","Ketone body metabolism","Phospholipid metabolism","Transcriptional Regulation by TP53","Interleukin-12 family signaling","Mitotic Metaphase and Anaphase
","Metabolism of steroid hormones","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX2","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Oxygen-dependent proline hydroxyl
ation of Hypoxia-inducible Factor Alpha","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Amino acid transport across the plasma membrane","Interleukin
-4 and Interleukin-13 signaling","Metabolism of folate and pterines","Interleukin-10 signaling","Bile acid and bile salt metabolism","Transport of organic anions","Cytochrome P450 - arranged by substr
ate type","Platelet degranulation","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Transcriptional Regulation by MECP2","Toll Like Receptor 4 (TLR4) Cascade","Synthesis of Ketone Bod
ies","Glycerophospholipid biosynthesis","TP53 Regulates Transcription of Cell Death Genes","Interleukin-12 signaling","Mitotic Anaphase","Pregnenolone biosynthesis","MyD88 cascade initiated on plasma 
membrane","RUNX2 regulates bone development","Biosynthesis of D-series resolvins","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Recycling
 of bile acids and salts",Eicosanoids,"Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","MECP2 regulates transcription factors","MyD88-independent TLR4 cascade","A
cyl chain remodelling of PC","TP53 Regulates Transcription of Caspase Activators and Caspases","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Nuclear Envelope (N
E) Reassembly","MAP kinase activation","RUNX2 regulates osteoblast differentiation","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Biosynthesis of
 DPAn-3-derived 13-series resolvins","TRIF(TICAM1)-mediated TLR4 signaling","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","IKK complex recrui
tment mediated by RIP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ACAT1,ALOX5,CHUK,IKBKB,PLA2G1B,PPARG,PTGS1,PTGS2,SLC46A1,SLC7A11,TBXAS1}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{sulfasalazine,599-79-1,599791,Azulfidine,Salicylazosulfapyridine,Salazosulfapyridine,Sulphasalazine,Salazopyrin,Asulfidine,Salazopyridin,Accucol,Azopyrin,Sulcolon,Colo-Pleon,ColoPleon,Salazopiridazin
,Azopyrine,Benzosulfa,Reupirin,Salisulf,Salazosulfapyridin,SAM001246530,CPD000059146}

> <pdid>
PD001744

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5339}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 Cl  0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 Cl  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 11 13  1  0
 13  5  1  0
 13 14  2  0
 14  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11843

> <plate>
PLATE 012

> <well>
B3

> <supplier_cmpd_name>
Chloquinan

> <ctcr_id>
3338

> <supplier_cmpd_id>
T0908

> <smiles>
Cc1ccc2c(Cl)cc(Cl)c(O)c2n1

> <pd_targets>
{MAPT,BOTA,RORC,APE1,FFP}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Transcription factor",Protease,"Nuclear receptor","Metallo protease","Nuclear hormone receptor subfamily 1","Metallo protease MAE clan","Nuclear hormone receptor sub
family 1 group F","Metallo protease MH clan","Metallo protease M27 family","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M18 family",Transferase}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Neuronal System",Disease,"Gene expression (Transcription)","Transmission across Chemical Synapses","Infectious disease","RNA Polymerase II Transcription","Neurotransmitter receptors and postsynaptic
 signal transmission","Uptake and actions of bacterial toxins","Generic Transcription Pathway","Activation of NMDA receptors and postsynaptic events","Neurotoxicity of clostridium toxins","Transcripti
onal regulation by RUNX3","Post NMDA receptor activation events","Toxicity of botulinum toxin type A (botA)","RUNX3 Regulates Immune Response and Cell Migration","Activation of AMPK downstream of NMDA
Rs"}

> <broad_targets>
{}

> <broad_moa>
{"other antibiotic"}

> <synonyms>
{Chlorquinaldol,72-80-0,72800,"5,7-Dichloro-8-hydroxyquinaldine","5,7Dichloro8hydroxyquinaldine","5,7-dichloro-2-methylquinolin-8-ol","5,7dichloro2methylquinolin8ol",Chloroquinaldol,"5,7-Dichloro-8-hy
droxy-2-methylquinoline","5,7Dichloro8hydroxy2methylquinoline","5,7-Dichloro-2-methyl-8-quinolinol","5,7Dichloro2methyl8quinolinol",Clorquinaldol,Sterosan,5,7-Dichloro-8-quinaldino,7Dichloro8quinaldin
o,T0908,S4192,212151,Chloquinan,CHLORQUINALDOL}

> <pdid>
PD002113

> <targets>
{}

> <classes>
{antiinfectant,antifungal}

> <pubchem_cids>
{6301}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17  3  1  0
 17 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11844

> <plate>
PLATE 012

> <well>
B4

> <supplier_cmpd_name>
Nalidixic acid

> <ctcr_id>
705

> <supplier_cmpd_id>
T0909

> <smiles>
CCN1C=C(C(O)=O)C(=O)c2ccc(C)nc12

> <pd_targets>
{CYP1A2,LMNA,GYRA,GYRB,RORC,NFKB1,HSD17B10,BLM,KDM4E,ABCC4}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Other cytosolic protein","Epigenetic regulator",Transporter,"Cytochrome P450",Isomerase,"Nuclear receptor",Oxidoreductase,Eraser,"Primary active
 transporter","Cytochrome P450 family 1","Nuclear hormone receptor subfamily 1","Lysine demethylase","ATP-binding cassette","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group F","
Jumonji domain-containing","ABCC subfamily","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","Nuclear hormone receptors","Chromatin modifying enzymes","ATP-binding cassette transporter family","CYP1 family","1F. Retinoic acid-related orphans",
"1.14.11.- Histone demethylases","ABCC subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Gene expression (Transcription)","Immune System","DNA Repair",Hemostasis,"Biological oxidations",Mitotic,"RNA Polymerase II Transcription","Cytokine Signaling in Immune syste
m","Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Platelet activation","signaling and aggregation","Phase I - Functionalization of compounds","M Phase","Generic Transcri
ption Pathway","Signaling by Interleukins","Branched-chain amino acid catabolism","Homology Directed Repair","Response to elevated platelet cytosolic Ca2+","Cytochrome P450 - arranged by substrate typ
e","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3","Interleukin-1 family signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Platelet degra
nulation",Xenobiotics,"Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Interleukin-1 signaling","HDR through Homologous Recombination (HRR)","Aromatic amines can be N-hydroxyla
ted or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reform
ation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{"nalidixic acid",389-08-2,389082,Nalidixate,Nalidixin,Nevigramon,Uronidix,NegGram,Innoxalon,Nalidixan,Nalitucsan,Sicmylon,Unaserus,"Nalidic acid","Nalidixinic acid",Wintomylon,Dixiben,Dixinal,Jicsron
,Nalurin,Naxuril,Nogram,Urisal,Cybis,Nalix,1-,1,T0909,SAM002554914,1500756,"Nalidixic acid",CPD000058264,"NALIDIXIC ACID"}

> <pdid>
PD001597

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{4421}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 12  0  0  1  0            999 V2000
    1.2636   -2.2496    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -3.8976    0.7500    0.0000 C   0  0
   -3.8982    2.2498    0.0000 C   0  0
   -2.5998    3.0004    0.0000 O   0  0
    2.5801    0.0303    0.0000 O   0  0
    5.0636    0.3857    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  6
  8  9  1  0
  8 10  1  0
  8 11  1  0
  2 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11845

> <plate>
PLATE 012

> <well>
B5

> <supplier_cmpd_name>
Terpin Monohydrate

> <ctcr_id>
11070

> <supplier_cmpd_id>
T0910

> <smiles>
C[C@@]1(CC[C@H](CC1)C(C)(C)O)O.O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"TERPIN HYDRATE",2451-01-6,2451016,"Terpin monohydrate","Terpin (hydrate)","p-Menthane-1,8-diol monohydrate","pMenthane1,8diol monohydrate","Terpin cis-form hydrate","Terpin cisform hydrate","4-(2-Hy
droxypropan-2-yl)-1-methylcyclohexanol hydrate","4(2Hydroxypropan2yl)1methylcyclohexanol hydrate",UNII-S3V868548T,UNIIS3V868548T,Cyclohexanemethanol,4-hydroxy-alp,4hydroxyalp,T0910,"Terpin Monohydrate
"}

> <pdid>
PD014460

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{17141}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  0  0            999 V2000
    9.6061   -2.1359    0.0000 Na  0  3
    7.0592   -0.7054    0.0000 C   0  0
    5.9990   -1.7665    0.0000 O   0  0
    6.3872   -3.2163    0.0000 N   0  0
    5.3265   -4.2780    0.0000 C   0  0
    3.8775   -3.8868    0.0000 C   0  0
    2.8152   -4.9458    0.0000 O   0  0
    3.4909   -2.4366    0.0000 N   0  0
    2.0479   -2.0470    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8983   -0.7459    0.0000 O   0  0
   -2.6029   -2.9978    0.0000 O   0  5
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 O   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2570    0.0000 O   0  0
   -5.1937    3.0092    0.0000 C   0  0
    5.7131   -5.7282    0.0000 C   0  0
    7.1061   -6.2493    0.0000 C   0  0
    7.0226   -7.7470    0.0000 S   0  0
    5.5724   -8.1304    0.0000 C   0  0
    5.0302   -9.5289    0.0000 N   0  0
    4.7596   -6.8697    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 10  1  0
 15 16  1  0
 16  9  1  0
 16 17  2  0
 14 18  1  0
 18 19  2  0
 18 20  1  0
 13 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
  5 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31 26  1  0
M  CHG  2   1   1  20  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11846

> <plate>
PLATE 012

> <well>
B6

> <supplier_cmpd_name>
Cefotaxime sodium

> <ctcr_id>
7075

> <supplier_cmpd_id>
T0911

> <smiles>
[Na+].CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)[O-])COC(=O)C)c3csc(N)n3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"CEFOTAXIME SODIUM",64485-93-4,64485934,SCHEMBL9491367,CHEMBL4552387,HMS3259D08,HMS3373G07,MCULE-9988072641,MCULE9988072641,NC00704,NE54506,FT-0603036,FT0603036,A834407,SAM002643511,CPD001551784}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{44134618}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 C   0  0
    3.8971    5.2500    0.0000 C   0  0
    5.1961    6.0001    0.0000 O   0  0
    2.5980    6.0000    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0000    4.5000    0.0000 O   0  0
    0.0000    6.0000    0.0000 O   0  0
    2.5949    7.5009    0.0000 C   0  0
    1.2948    8.2490    0.0000 O   0  0
    3.8927    8.2531    0.0000 N   0  0
    5.1984    3.0023    0.0000 N   0  0
    6.4964    3.7542    0.0000 C   0  0
    5.2010    1.5023    0.0000 C   0  0
    1.2638   -2.2496    0.0000 O   0  0
    8.9971    2.2518    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11  5  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14  3  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  3
 17  2  1  0
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  3
 21 16  1  0
 21 22  1  0
 15 23  1  0
 11 24  1  0
 10 25  1  0
  9 26  1  0
 26 27  2  0
 26 28  1  0
  6 29  1  0
 29 30  1  0
 29 31  1  0
  2 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11847

> <plate>
PLATE 012

> <well>
B7

> <supplier_cmpd_name>
Tetracycline hydrochloride

> <ctcr_id>
803

> <supplier_cmpd_id>
T0912

> <smiles>
CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW14,"TETRACYCLINE HYDROCHLORIDE",64-75-5,64755,"Tetracycline HCl","Achromycin hydrochloride","Tetracycline (hydrochloride)",MFCD00078142,Supramycin,Sustamycin,Sumycin,Telotrex,UNII-P6R62377KV,UNI
IP6R62377KV,Achromycin,Quatrex,P6R62377KV,Bristacycline,Dumocyclin,64-75-,6475,T0912,T0912L,1500566,Prestw-140,"Tetracycline hydrochloride",Tetracycline}

> <pdid>
PD055528

> <targets>
{}

> <classes>
{antiamebic,antirickettsial,antibacterial}

> <pubchem_cids>
{54704426}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 S   0  0
   -1.2948   -3.7517    0.0000 O   0  0
   -1.2973   -2.2519    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8902   -5.2570    0.0000 C   0  0
   -5.1877   -6.0097    0.0000 C   0  0
   -6.4883   -5.2624    0.0000 C   0  0
   -7.7858   -6.0150    0.0000 N   0  0
   -6.4914   -3.7624    0.0000 C   0  0
   -5.1939   -3.0097    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
  6 18  2  0
 18  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11848

> <plate>
PLATE 012

> <well>
B8

> <supplier_cmpd_name>
Sulfamerazine

> <ctcr_id>
2811

> <supplier_cmpd_id>
T0913

> <smiles>
Cc1ccnc(N[S](=O)(=O)c2ccc(N)cc2)n1

> <pd_targets>
{AMPC,MAPT,FOLP}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Hydrolase,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{sulfamerazine,127-79-7,127797,Sulphamerazine,Sulfamerazin,Sulfamethyldiazine,Cremomerazine,Methylsulfazine,Sulfameradine,Mebacid,Mesulfa,Metilsulfadiazin,2-Sulfa-4-methylpyrimidine,2Sulfa4methylpyrim
idine,Methylpyrimal,Metilsulfazin,Sulfamerazina,Sulfamerazinum,Kelamerazi,T0913,1500547,Prestw-694,Sulfamerazine,SULFAMERAZINE}

> <pdid>
PD001749

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5325}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
   10.2865   -1.1327    0.0000 Na  0  3
    7.7858   -6.0150    0.0000 N   0  0
    6.4883   -5.2623    0.0000 C   0  0
    5.1877   -6.0097    0.0000 C   0  0
    3.8902   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1939   -3.0097    0.0000 C   0  0
    6.4914   -3.7623    0.0000 C   0  0
    2.5951   -3.0039    0.0000 S   0  0
    1.2948   -3.7516    0.0000 O   0  0
    1.2973   -2.2519    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  5
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  2  0
 22 13  1  0
M  CHG  2   1   1  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11849

> <plate>
PLATE 012

> <well>
B9

> <supplier_cmpd_name>
Sulfaquinoxaline sodium

> <ctcr_id>
11071

> <supplier_cmpd_id>
T0917

> <smiles>
[Na+].Nc1ccc(cc1)S(=O)(=O)[N-]c1nc2ccccc2nc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"sodium (4-aminophenyl)sulfonyl-quinoxalin-2-yl-azanide","sodium (4aminophenyl)sulfonylquinoxalin2ylazanide","SULFAQUINOXALINE SODIUM",967-80-6,967806,"Sulfaquinoxaline sodium salt","Sulfquinoxaline 
sodium","Sulfaquinoxaline (sodium salt)",Benzenesulfonamide,4-amino-N-2-quinoxalinyl-,4aminoN2quinoxalinyl,T0917,"Sulfaquinoxaline sodium"}

> <pdid>

> <targets>
{Antibiotic,Bacterial,Parasite}

> <classes>
{Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{3693427}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
    5.1893   -7.5096    0.0000 C   0  0
    5.1901   -6.0096    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3032    3.7490    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2153   -4.4912    0.0000 N   0  0
    5.2143   -2.9912    0.0000 C   0  0
    6.5150   -5.2400    0.0000 C   0  0
    2.5909   -6.0072    0.0000 C   0  0
    2.5897   -7.5072    0.0000 C   0  0
    1.2900   -8.2562    0.0000 C   0  0
   -0.0084   -7.5052    0.0000 C   0  0
   -0.0072   -6.0052    0.0000 C   0  0
    1.2924   -5.2562    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19  8  1  0
  3 20  1  0
 20 21  1  0
 20 22  1  0
  3 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11850

> <plate>
PLATE 012

> <well>
B10

> <supplier_cmpd_name>
Trimebutine

> <ctcr_id>
4103

> <supplier_cmpd_id>
T0918

> <smiles>
CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2

> <pd_targets>
{OPRD1,MAPT,MAPK1,KMT2A,MEN1,CYP3A4,LMNA,HIF1A,ALDH1A1,OPRM1,CACNA1A,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,KCNMA1,KCNMB1,KCNMB2,KCNMB3,KCNMB4,KCNN1,KCNN2,KCNN3,KCNN4,CACNA1G,CACN
A1H,CACNA1I,CHRM1,CHRM2,CHRM3,CHRM4}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein",Enzyme,"Epigenetic regulator","Other nuclear protein","Transcription factor","Ion channel","Family A G protein-coupled receptor",Kinase,Reader,"Cytochrom
e P450",Oxidoreductase,"Voltage-gated ion channel","Peptide receptor (family A GPCR)","Protein Kinase",Bromodomain,"Cytochrome P450 family 3","Voltage-gated calcium channel","Small molecule receptor (
family A GPCR)","Short peptide receptor (family A GPCR)","CMGC protein kinase group","Cytochrome P450 family 3A","Monoamine receptor","Opioid receptor","CMGC protein kinase MAPK family","Cytochrome P4
50 3A4","Acetylcholine receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Opioid receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Acetylcholine receptors (mus
carinic)","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Neuronal System","Immune System",Metabolism,"Cell Cycle","Cellular responses to external stimuli","Signaling by GPCR","Transmission across Chemical Synapses","Innate Immune Sys
tem","Metabolism of lipids",Mitotic,"Cellular responses to stress","Biological oxidations","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor C
ascades","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Cellular response to hypoxia","Phase I - Functionalization of compounds","GPCR downstream signalling","Class A/1 (Rhodop
sin-like receptors)","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Oxygen-dependent 
proline hydroxylation of Hypoxia-inducible Factor Alpha","Ethanol oxidation","G alpha (i) signalling events","Peptide ligand-binding receptors","Post NMDA receptor activation events","MyD88 cascade in
itiated on plasma membrane","Biosynthesis of maresins","Mitotic Anaphase","Opioid Signalling","Amine ligand-binding receptors","Activation of AMPK downstream of NMDARs","MAP kinase activation","Biosyn
thesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","G-protein activation","Muscarinic acetylcholine receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclea
r Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{OPRD1,OPRK1,OPRM1}

> <broad_moa>
{"opioid receptor agonist"}

> <synonyms>
{trimebutine,39133-31-8,39133318,"2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate","2(Dimethylamino)2phenylbutyl 3,4,5trimethoxybenzoate","Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2
-phenylbutyl ester","Benzoic acid, 3,4,5trimethoxy, 2(dimethylamino)2phenylbutyl ester","TRIMEBUTINE FREE BASE",3,4,"5-Trimethoxybenzoic acid 2-(dimethylamino)-2-phenylbutyl es","5Trimethoxybenzoic ac
id 2(dimethylamino)2phenylbutyl es",T0918,S2085,Trimebutine}

> <pdid>
PD009062

> <targets>
{"Opioid Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{5573}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6060   -6.0003    0.0000 C   0  0
    2.6061   -7.5003    0.0000 C   0  0
    1.3071   -8.2503    0.0000 C   0  0
    0.0080   -7.5003    0.0000 C   0  0
    0.0080   -6.0003    0.0000 C   0  0
   -1.2910   -8.2504    0.0000 Br  0  0
    3.9051   -8.2502    0.0000 Br  0  0
    3.9051   -5.2503    0.0000 N   0  0
    0.0000    3.0000    0.0000 O   0  0
    6.4058   -2.6250    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14  9  1  0
 13 15  1  0
 11 16  1  0
 10 17  1  0
  3 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11851

> <plate>
PLATE 012

> <well>
B11

> <supplier_cmpd_name>
Ambroxol

> <ctcr_id>
3944

> <supplier_cmpd_id>
T0920

> <smiles>
C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O.Cl

> <pd_targets>
{LMNA,GBA,ALOX15,AMPC,TDP1,TSHR,CYP3A4,CYP2D6,SLC6A4,HIF1A,CYP1A2}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Membrane receptor",Transporter,"Transcription factor",Oxidoreductase,Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450","Electrochemical transporter","P
eptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 2","SLC superfamily of solute carriers","Cytochrome P450 family 1","Glycohormone receptor","Cytochrome P450 family 3
A","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","Cytochrome P450 family 1A","Cytochrome P450 3A4","Cytochrome P450 2D6","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"3.2.1.- Glycosidases","Eicosanoid turnover","G protein-coupled receptors","Cytochrome P450","SLC superfamily of solute carriers",Lipoxygenases,"Glycoprotein hormone re
ceptors","CYP3 family","CYP2 family: drug metabolising subset","SLC6 neurotransmitter transporter family","CYP1 family","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"DNA Repair",Disease,"Neuronal System","Cellular responses to external stimuli",Mitotic,"Metabolism of lipids","DNA Double-Strand Break Repair","Infectious disease","Biologica
l oxidations","Transmission across Chemical Synapses","Cellular responses to stress","M Phase","Sphingolipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Nonhomologous End-
Joining (NHEJ)","Leishmania infection","Phase I - Functionalization of compounds","Neurotransmitter clearance","Cellular response to hypoxia","Mitotic Metaphase and Anaphase","Glycosphingolipid metabo
lism","Biosynthesis of DPA-derived SPMs","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Serotonin clearance from the synap
tic cleft","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infecti
on","Biosynthesis of maresins",Xenobiotics,"Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflammatory cytokines production","Biosy
nthesis of maresin-like SPMs","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CYP3A4}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{RESTW36,"Ambroxol hydrochloride",23828-92-4,23828924,"Ambroxol HCl",Mucoangin,Mucosolvan,Ambroxolhydrochloride,"trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride","trans4((2Amino3,
5dibromobenzyl)amino)cyclohexanol hydrochloride","cis-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride","cis4((2Amino3,5dibromobenzyl)amino)cyclohexanol hydrochloride",UNII-CC995,UNIICC9
95,T0920,T6234,S3064,Prestw-366,Ambroxol}

> <pdid>
PD012068

> <targets>
{Autophagy,Glucosidase}

> <classes>
{Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{108013}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -5.1983    3.0012    0.0000 O   0  0
   -3.9005    5.2525    0.0000 C   0  0
   -5.1984    6.0044    0.0000 C   0  0
   -5.1963    7.5044    0.0000 C   0  0
   -3.8963    8.2525    0.0000 C   0  0
   -2.5983    7.5007    0.0000 C   0  0
   -2.6004    6.0007    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11852

> <plate>
PLATE 012

> <well>
C2

> <supplier_cmpd_name>
Sulfabenzamide

> <ctcr_id>
1868

> <supplier_cmpd_id>
T0921

> <smiles>
Nc1ccc(cc1)[S](=O)(=O)NC(=O)c2ccccc2

> <pd_targets>
{KMT2A,MEN1,LMNA}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{sulfabenzamide,127-71-9,127719,N-Sulfanilylbenzamide,NSulfanilylbenzamide,Sulfabenzide,Sulfabenzoylamide,Sulfabenzid,N-Benzoylsulfanilamide,NBenzoylsulfanilamide,Sulfabenzamid,Sulfabenzamida,N-Sulfam
ylbenzamide,NSulfamylbenzamide,Sulfamylbenzamide,"Benzamide, N-((4-aminophenyl)sulfonyl)-","Benzamide, N((4aminophenyl)sulfonyl)",N-(4-aminophenyl)su,N(4aminophenyl)su,T0921,1500544,Prestw-711,Sulfabe
nzamide,SULFABENZAMIDE}

> <pdid>
PD001752

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5319}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 13  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    0.0007    0.0004    0.0000 O   0  0
    0.0011    1.5002    0.0000 O   0  0
    2.6000    0.0000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 O   0  0
   10.3999    0.0000    0.0000 S   0  0
   10.3999   -1.5000    0.0000 C   0  0
   11.6992    0.7496    0.0000 O   0  0
   11.6988   -0.7502    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 11 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11853

> <plate>
PLATE 012

> <well>
C3

> <supplier_cmpd_name>
Busulfan

> <ctcr_id>
2614

> <supplier_cmpd_id>
T0923

> <smiles>
C[S](=O)(=O)OCCCCO[S](C)(=O)=O

> <pd_targets>
{TSHR,ALDH1A1,KDM4E,LEF,LMNA,ALOX15,MMP9}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Epigenetic regulator","Other nuclear protein","Family A G protein-coupled receptor",Oxidoreductase,Eraser,Protease,"Peptide receptor (family A GPCR)","Lysine demethylase",
"Metallo protease","Glycohormone receptor","Jumonji domain-containing","Metallo protease MAE clan","Metallo protease MAM clan","Metallo protease M34 family","Metallo protease M10A subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Chromatin modifying enzymes","Eicosanoid turnover","Peptidases and proteinases","Glycoprotein hormone receptors","1.14.11.- Histone demethylases",Lipo
xygenases,"MA: Metallo (M) Peptidases","M10: Matrix metallopeptidase"}

> <pathway_reactome>
{Disease,Metabolism,"Cell Cycle","Developmental Biology","Infectious disease","Biological oxidations",Mitotic,"Metabolism of lipids","Nervous system development","Leishmania infection","Phase I - Func
tionalization of compounds","Uptake and actions of bacterial toxins","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Axon guidance","Leishmania parasite growth and survival","Et
hanol oxidation","Uptake and function of anthrax toxins","Mitotic Metaphase and Anaphase","Biosynthesis of DPA-derived SPMs","EPH-Ephrin signaling","Anti-inflammatory response favouring Leishmania par
asite infection","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","EPH-ephrin mediated repulsion of cells","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly",
"Biosynthesis of DPAn-3-derived protectins and resolvins","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA inhibitor"}

> <synonyms>
{busulfan,55-98-1,55981,Myleran,Busulphan,Sulphabutin,Myelosan,Leucosulfan,Busulfex,Citosulfan,Mielucin,Misulban,Mitostan,Myeloleukon,Mylecytan,Sulfabutin,Mablin,Mielevcin,Milecitan,Mielosan,Mileran,"
butane-1,4-diyl dimethanesulfonate","butane1,4diyl dimethanesulfonate",Buzulfan,1,4-Di,4Di,T0923,750,NSC750,SAM002554887,1500152,Prestw-1179,"NSC 750
NSC 750",Busulfan,CPD000058613,BUSULFAN}

> <pdid>
PD002449

> <targets>
{Apoptosis,DNA Alkylator/Crosslinker}

> <classes>
{antineoplastic,alkylating agent,Alkylating agent,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{2478}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11854

> <plate>
PLATE 012

> <well>
C4

> <supplier_cmpd_name>
Benzocaine

> <ctcr_id>
163

> <supplier_cmpd_id>
T0924

> <smiles>
CCOC(=O)c1ccc(N)cc1

> <pd_targets>
{LMNA,CYP3A4,RORC,CYP1A2,SCN10A}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Transcription factor","Ion channel","Cytochrome P450","Nuclear receptor","Voltage-gated ion channel","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1",
"Cytochrome P450 family 1","Voltage-gated sodium channel","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 1A","Cytochrome P450 3A4","Nuclear hormone 
receptor subfamily 1 group F member 3","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Cytochrome P450","Nuclear hormone receptors","Voltage-gated ion channels","CYP3 family","1F. Retinoic acid-related orphans","CYP1 family","Voltage-gated sodium chann
els"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Gene expression (Transcription)","Developmental Biology",Mitotic,"Metabolism of lipids","RNA Polymerase II Transcription","Biological oxidations","Nervous system development"
,"M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","Phase I - Functionalization of compounds","Axon guidance","Mitotic Metaphase and Anaphase","Bios
ynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type","L1CAM interactions","Mitotic Anaphase","Biosynthesis of maresins","RUNX3 Regulates I
mmune Response and Cell Migration",Xenobiotics,"Interaction between L1 and Ankyrins","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-
dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SCN10A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{MLS002153970,ARONIS27057,benzocaine,"Ethyl 4-aminobenzoate","Ethyl 4aminobenzoate",94-09-7,94097,"Ethyl aminobenzoate","Ethyl p-aminobenzoate","Ethyl paminobenzoate",Americaine,Anesthesin,Anaesthesin
,Ethoform,Norcaine,Orthesin,Parathesin,"4-Aminobenzoic acid ethyl ester","4Aminobenzoic acid ethyl ester","Amben ethyl ester",p-Ca,pCa,T0924,1500139,Prestw-712,Benzocaine,BENZOCAINE}

> <pdid>
PD002459

> <targets>
{}

> <classes>
{"anesthetic (topical)"}

> <pubchem_cids>
{2337}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 25  0  0  1  0            999 V2000
    7.5987    0.3727    0.0000 Cl  0  5
    5.0987    0.3727    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  3
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0031    3.0008    0.0000 N   0  3
    1.3032    3.7490    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0  2  0  0  0
   -3.8971    2.2500    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0  1  0  0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -6.4952   -0.7500    0.0000 C   0  0  2  0  0  0
   -7.7942   -1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  1
  9 10  1  0
  8 11  1  0
 11 12  1  6
 12 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  1  6
 16 17  1  0
 17 18  1  6
 17 19  1  0
 19 20  1  0
 20 13  1  0
 20 21  2  0
 15 22  1  0
 23 22  1  1
 23 11  1  0
 23 24  1  0
 24  5  1  0
 24 25  1  6
M  CHG  4   1  -1   2  -1   4   1   9   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11855

> <plate>
PLATE 012

> <well>
C5

> <supplier_cmpd_name>
Spectinomycin dihydrochloride

> <ctcr_id>
169

> <supplier_cmpd_id>
T0788

> <smiles>
[Cl-].[Cl-].C[NH2+][C@@H]1[C@H](O)[C@H]([NH2+]C)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Spectinomycin dihydrochloride",21736-83-4,21736834,"Spectinomycin hydrochloride",actinospectacin,"Spectinomycin HCl","Spectinomycin (dihydrochloride)","Spectinomycin dihydrochloride pentahydrate",CH
EBI:9216,"Spectinomycin hydrochlori",1500538,Prestw-804,"SPECTINOMYCIN HYDROCHLORIDE"}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{64740,3033928,74764319}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 44 49  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -5.5076   -2.9665    0.0000 N   0  0
   -6.9994   -3.1233    0.0000 C   0  0
   -7.8799   -4.3364    0.0000 C   0  0
   -9.3717   -4.1796    0.0000 C   0  0
  -10.2563   -5.3920    0.0000 O   0  0
  -11.7479   -5.2330    0.0000 C   0  0
   -9.9818   -2.8093    0.0000 C   0  0
   -9.1001   -1.5957    0.0000 C   0  0
   -7.6095   -1.7530    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 O   0  0
   -1.3070   -5.2494    0.0000 C   0  0
    2.6003    1.4978    0.0000 O   0  0
    3.8990    0.7455    0.0000 C   0  0
    3.8964   -0.7545    0.0000 O   0  0
    5.2003    1.4932    0.0000 C   0  0
    6.4994    0.7433    0.0000 C   0  0
    7.7985    1.4933    0.0000 C   0  0
    9.0967    0.7402    0.0000 O   0  0
    9.0945   -0.7598    0.0000 C   0  0
    7.7985    2.9933    0.0000 C   0  0
    9.0967    3.7463    0.0000 O   0  0
    9.0946    5.2463    0.0000 C   0  0
    6.4995    3.7433    0.0000 C   0  0
    6.4964    5.2441    0.0000 O   0  0
    5.1963    5.9923    0.0000 C   0  0
    5.2004    2.9933    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 20 21  2  0
 21 11  1  0
 21 14  1  0
 12 22  1  0
 22  8  1  0
 22 23  1  6
 24 23  1  1
 24  6  1  0
 24 25  1  0
 25  3  1  0
 25 26  1  1
 26 27  2  0
 26 28  1  0
 28 29  1  0
  4 30  1  1
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 35 38  2  0
 38 39  1  0
 39 40  1  0
 38 41  1  0
 41 42  1  0
 42 43  1  0
 41 44  2  0
 44 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11856

> <plate>
PLATE 012

> <well>
C6

> <supplier_cmpd_name>
Reserpine

> <ctcr_id>
854

> <supplier_cmpd_id>
T0791

> <smiles>
CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6

> <pd_targets>
{ABCB1,SLC18A2,NORA,KDM4E,HSD17B10,ALDH1A1,PMP22,MAPK1,NPSR1,TSHR,NFO,CASP1,LMNA,KMT2A,MEN1,CHRM1,POLB,SLC18A1,ALOX15,GMNN,NS1,LEF,THPO,HBB,ABCB11,SCN1A,SCN2A,SCN3A,L3MBTL1,BLM,ABCG2,MAPT,CYP3A4,CASP7
,ABCB1B,ABCB1A,ABCC2,OPRM1,ALD}

> <pathway_gtopdb>
{Transporter,"Unclassified protein","Epigenetic regulator",Enzyme,"Membrane receptor","Other nuclear protein","Secreted protein","Ion channel","Other cytosolic protein","Primary active transporter","E
lectrochemical transporter",Eraser,Oxidoreductase,Kinase,"Family A G protein-coupled receptor",Hydrolase,Protease,Reader,"Voltage-gated ion channel","Cytochrome P450","ATP-binding cassette","SLC super
family of solute carriers","Lysine demethylase","Protein Kinase","Peptide receptor (family A GPCR)","Cysteine protease",Bromodomain,"Small molecule receptor (family A GPCR)","Metallo protease","Voltag
e-gated sodium channel","Methyl-lysine/arginine binding protein","Cytochrome P450 family 3","ABCB subfamily","SLC18 family of vesicular amine transporters","Jumonji domain-containing","CMGC protein ki
nase group","Short peptide receptor (family A GPCR)","Glycohormone receptor","Cysteine protease CD clan","Monoamine receptor","Metallo protease MAE clan","MBT domain","ABCG subfamily","Cytochrome P450
 family 3A","ABCC subfamily","CMGC protein kinase MAPK family","Neuropeptide receptor","Cysteine protease C14 family","Acetylcholine receptor","Metallo protease M34 family","Cytochrome P450 3A4","Opio
id receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Transporters,Enzymes,Receptors,"ATP-binding cassette transporter family","SLC superfamily of solute carriers","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Pepti
dases and proteinases","Eicosanoid turnover","Cytochrome P450","ABCB subfamily","SLC18 family of vesicular amine transporters","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK fa
milies","Neuropeptide S receptor","Glycoprotein hormone receptors","CD: Cysteine (C) Peptidases","Acetylcholine receptors (muscarinic)",Lipoxygenases,"ABCG subfamily","CYP3 family","ABCC subfamily","O
pioid receptors","Mitogen-activated protein kinases (MAP kinases)","C14: Caspase","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Developmental Biology","Immune System",Disease,"Gene expression (Transcription)","Cell Cycle","Signal Transduction","DNA Repair","Transport of small molecules",Hemostasi
s,"Programmed Cell Death","Abacavir transport and metabolism","Transmission across Chemical Synapses","Metabolism of amino acids and derivatives","Biological oxidations","Nervous system development","
Innate Immune System","Infectious disease","RNA Polymerase II Transcription",Mitotic,"Signaling by GPCR","Base Excision Repair","SLC-mediated transmembrane transport","Metabolism of lipids","Platelet 
activation","signaling and aggregation","DNA Double-Strand Break Repair",Apoptosis,"Disorders of transmembrane transporters","Abacavir transmembrane transport","Neurotransmitter release cycle","Branch
ed-chain amino acid catabolism","Phase I - Functionalization of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Receptor Cascades","Leishmania infection","Generi
c Transcription Pathway","M Phase","GPCR ligand binding","Resolution of Abasic Sites (AP sites)","Transport of bile salts and organic acids","metal ions and amine compounds","Biosynthesis of specializ
ed proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Uptake and actions of bacterial toxins","Platelet Aggregation (Plug Formation)","Neutrophil degranulation","Metabolism of ster
oids","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Intrinsic Pathway for Apoptosis","ABC transporter disorders","GPCR downstream signalling","Dopamine 
Neurotransmitter Release Cycle","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase
","Class A/1 (Rhodopsin-like receptors)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Na+/Cl- dependent neurotransmitter transporters","Biosynthesis of DPA-derived S
PMs","G1/S Transition","Uptake and function of anthrax toxins","Bile acid and bile salt metabolism","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA re
ceptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Apoptotic factor-mediated response","Defective ABCC2 causes DJS","G alpha (i) signalling events","MyD88 cascade initiated on plasma
 membrane","Anti-inflammatory response favouring Leishmania parasite infection","TP53 Regulates Transcription of Cell Death Genes","Mitotic Anaphase","Amine ligand-binding receptors","PCNA-Dependent L
ong Patch Base Excision Repair","Biosynthesis of DPAn-3 SPMs","Activation of the pre-replicative complex","Synthesis of bile acids and bile salts","Regulation of TP53 Activity","HDR through Homologous
 Recombination (HRR)","Post NMDA receptor activation events","Biosynthesis of maresins","Cytochrome c-mediated apoptotic response","Opioid Signalling","MAP kinase activation","ADORA2B mediated anti-in
flammatory cytokines production","TP53 Regulates Transcription of Caspase Activators and Caspases","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Biosynthesis of DPAn-3-deriv
ed protectins and resolvins","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Activity through Methylation","Homologous DNA Pairing and Strand Exchange","Acti
vation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Activation of caspases through apoptosome-mediated cleavage","G-protein activation","MAPK targets/ Nuclear events mediated by 
MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{SLC18A1,SLC18A2}

> <broad_moa>
{"vesicular monoamine transporter inhibitor"}

> <synonyms>
{reserpine,50-55-5,50555,Serpalan,Serpasil,Serpivite,Apoplon,Hypersil,Alserin,Elserpine,Hiserpia,Raunervil,Raupasil,Rausedil,Rausedyl,Rauwasedin,Reserpin,Serpanray,Resine,Rivasin,Sandril,Serpate,(-)-R
eserpine,()Reserpine,Rau-Sed,RauSed,Ascoserpina,Austrapine,Bioserpine,E,T0791,1500526,Prestw-875,Reserpine,RESERPINE}

> <pdid>
PD001766

> <targets>
{Autophagy,Monoamine Transporter}

> <classes>
{antihypertensive,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{5770}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  1  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 S   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
    1.3000   -0.7500    0.0000 O   0  0
    5.1000    3.2866    0.0000 C   0  0
    6.1594    4.3460    0.0000 C   0  0
    7.5769    3.9432    0.0000 C   0  0
    7.9500    2.4660    0.0000 N   0  0
    9.3675    2.4660    0.0000 C   0  0
   10.3523    1.4662    0.0000 C   0  0  2  0  0  0
    9.0989    0.6456    0.0000 C   0  0
    7.0099    0.0487    0.0000 C   0  0  2  0  0  0
    7.9500   -0.8764    0.0000 C   0  0
    9.3675   -0.8764    0.0000 N   0  0
    9.7107   -2.4282    0.0000 C   0  0
   11.1431   -2.8460    0.0000 C   0  0
   12.2175   -1.8015    0.0000 C   0  0
   11.8593   -0.3393    0.0000 C   0  0
   10.3523    0.0487    0.0000 C   0  0  1  0  0  0
    7.0099    1.4662    0.0000 C   0  0  1  0  0  0
    5.4879    1.8243    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 11 10  1  1
 11 12  1  0
 13 12  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 20 19  1  6
 20 11  1  0
 20 15  1  0
 13 21  1  0
 21  9  1  0
 21 22  1  1
 22  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11857

> <plate>
PLATE 012

> <well>
C7

> <supplier_cmpd_name>
(-)-Sparteine sulfate pentahydrate

> <ctcr_id>
1847

> <supplier_cmpd_id>
T0792

> <smiles>
OS(=O)(=O)O.C1CCN2C[C@@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"SPARTEINE SULFATE",SR-05000001541,SR05000001541,"Lupinidine sulfate salt",SPECTRUM300548,HMS1923G15,HMS2091A17,Pharmakon1600-00300548,Pharmakon160000300548,299-39-8,299398,NSC755834,CCG-212458,CCG21
2458,NSC-755834,SR-05000001541-1,SR050000015411,T0792,300548,"(-)-Sparteine sulfate pentahydrate"}

> <pdid>

> <targets>
{}

> <classes>
{oxytocic}

> <pubchem_cids>
{16667748}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 39  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0  1  0  0  0
    0.0127    6.0039    0.0000 N   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2088    5.9860    0.0000 N   0  0
    3.9020    3.7405    0.0000 C   0  0  2  0  0  0
    5.2008    2.9882    0.0000 O   0  0
    6.5020    3.7360    0.0000 C   0  0  1  0  0  0
    6.5021    5.2361    0.0000 O   0  0
    7.8011    5.9861    0.0000 C   0  0  2  0  0  0
    7.7980    7.4869    0.0000 C   0  0
    6.4979    8.2351    0.0000 O   0  0
    9.1002    5.2361    0.0000 C   0  0  1  0  0  0
   10.3992    5.9861    0.0000 O   0  0
    9.1002    3.7361    0.0000 C   0  0  2  0  0  0
   10.3992    2.9861    0.0000 N   0  0
    7.8011    2.9861    0.0000 C   0  0  1  0  0  0
    7.8012    1.4861    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0  1  0  0  0
    2.5953    1.4950    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
   14.1998    4.1174    0.0000 O   0  0
   14.1998    2.6174    0.0000 S   0  0
   14.1998    1.1174    0.0000 O   0  0
   12.9006    1.8678    0.0000 O   0  0
   15.4991    1.8678    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  6
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  6
 18 19  1  0
 17 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  1  6
 22 24  1  0
 24 15  1  0
 24 25  1  1
 13 26  1  0
 26  7  1  0
 26 27  1  1
  5 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  1  6
 30 32  1  0
 32  3  1  0
 32 33  1  1
 34 35  1  0
 35 36  1  0
 35 37  2  0
 35 38  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11858

> <plate>
PLATE 012

> <well>
C8

> <supplier_cmpd_name>
Kanamycin sulfate

> <ctcr_id>
3389

> <supplier_cmpd_id>
T0793

> <smiles>
NC[C@H]1O[C@H](OC2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.O[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Kanamycin A sulfate",SR-05000001660,SR05000001660,25389-94-0,25389940,SPECTRUM1500360,HMS1920H19,HMS2091P09,Pharmakon1600-01500360,Pharmakon160001500360,CCG-40106,CCG40106,NSC757068,NSC-757068,SR-05
000001660-1,SR050000016601,SR-05000001660-3,SR050000016603,SR-05000001660-5,SR050000016605,T0793,1500360,"Kanamycin sulfate","KANAMYCIN A SULFATE"}

> <pdid>
PD009763

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{16667684}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    5.0632   -3.3789    0.0000 Br  0  5
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  3
    1.2638   -2.2496    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2948   -3.7517    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -2.5930   -4.5047    0.0000 O   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1891   -6.0097    0.0000 C   0  0
   -5.1870   -7.5097    0.0000 C   0  0
   -3.8869   -8.2578    0.0000 C   0  0
   -2.5889   -7.5060    0.0000 C   0  0
   -2.5911   -6.0060    0.0000 C   0  0
   -5.1943   -3.0089    0.0000 C   0  0
   -6.4920   -3.7612    0.0000 C   0  0
   -7.7924   -3.0134    0.0000 C   0  0
   -7.7950   -1.5134    0.0000 C   0  0
   -6.4973   -0.7612    0.0000 C   0  0
   -5.1969   -1.5089    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 13 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11859

> <plate>
PLATE 012

> <well>
C9

> <supplier_cmpd_name>
Mepenzolate Bromide

> <ctcr_id>
2332

> <supplier_cmpd_id>
T0794

> <smiles>
[Br-].C[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3

> <pd_targets>
{CHRM2,CHRM4,CHRM3,SLC22A1,CHRM1}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Family A G protein-coupled receptor","Electrochemical transporter","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Monoamine receptor"
,"SLC22 family of organic cation and anion transporters","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,Transporters,"G protein-coupled receptors","SLC superfamily of solute carriers","Acetylcholine receptors (muscarinic)","SLC22 family of organic cation and anion transporters","Organic catio
n transporters (OCT)"}

> <pathway_reactome>
{"Signal Transduction","Transport of small molecules","Signaling by GPCR","SLC-mediated transmembrane transport","GPCR ligand binding","Transport of bile salts and organic acids","metal ions and amine
 compounds","Class A/1 (Rhodopsin-like receptors)","Organic cation/anion/zwitterion transport","Amine ligand-binding receptors","Organic cation transport","Muscarinic acetylcholine receptors"}

> <broad_targets>
{}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"MEPENZOLATE BROMIDE",76-90-4,76904,Cantil,Cantilaque,Colibantil,Gastropidil,Cantilon,Colopiril,Delevil,Eftoron,Tralanta,Trancolon,Colum,"3-(2-Hydroxy-2,2-diphenylacetoxy)-1,1-dimethylpiperidin-1-ium
 bromide","3(2Hydroxy2,2diphenylacetoxy)1,1dimethylpiperidin1ium bromide","Mepenzolate (Bromide)","JB 340",N-Met,NMet,T0794,SAM002554910,1500383,Prestw-653,"Mepenzolate Bromide",CPD000058832,"Mepenzol
ate bromide"}

> <pdid>
PD009364

> <targets>
{}

> <classes>
{anticholinergic}

> <pubchem_cids>
{6461}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8963    3.7531    0.0000 C   0  0
   -3.8942    5.2539    0.0000 S   0  0
   -5.1924    6.0070    0.0000 C   0  0
   -5.1903    7.5078    0.0000 C   0  0
   -6.4867    8.2624    0.0000 C   0  0
   -6.4815    9.7624    0.0000 C   0  0
   -5.1799   10.5079    0.0000 C   0  0
   -3.8834    9.7534    0.0000 C   0  0
   -3.8886    8.2534    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 S   0  0
    1.2810    2.2196    0.0000 O   0  0
   -0.0353    4.4996    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
  8 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 13 23  1  0
 23 24  1  0
 24  7  1  0
 24 25  2  0
 24 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11860

> <plate>
PLATE 012

> <well>
C10

> <supplier_cmpd_name>
Benzthiazide

> <ctcr_id>
6385

> <supplier_cmpd_id>
T0782

> <smiles>
N[S](=O)(=O)c1cc2c(cc1Cl)N=C(CSCc3ccccc3)N[S]2(=O)=O

> <pd_targets>
{ABCB11,TSHR,CYP2D6,CYP3A4,KDM4E,CYP2C9,ALDH1A1,FFP,KMT2A,MEN1,PKM,ALD,SLC12A3,CA1,CA2,CA4,CA9,CA12,CA13,CA14,CA3,CA5A,CA5B,CA6,CA7}

> <pathway_gtopdb>
{Transporter,"Membrane receptor",Enzyme,"Epigenetic regulator","Primary active transporter","Family A G protein-coupled receptor","Cytochrome P450",Eraser,Oxidoreductase,Transferase,Reader,"Electroche
mical transporter",Lyase,"ATP-binding cassette","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Cytochrome P450 family 3","Lysine demethylase",Bromodomain,"SLC superfamily of solute car
riers","ABCB subfamily","Glycohormone receptor","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Jumonji domain-containing","Cytochrome P450 family 2C","SLC12 family of cation-coupled chloride
 transporters","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 2C9"}

> <pathway_chembl>
{Transporters,Receptors,Enzymes,"ATP-binding cassette transporter family","G protein-coupled receptors","Cytochrome P450","Chromatin modifying enzymes","2.7.1.40 Pyruvate kinases","SLC superfamily of 
solute carriers","Carbonic anhydrases","ABCB subfamily","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","CYP3 family","1.14.11.- Histone demethylases","SLC12 family of cation-
coupled chloride transporters"}

> <pathway_reactome>
{Metabolism,Disease,"Immune System","Transport of small molecules","Cellular responses to external stimuli","Metabolism of lipids","Infectious disease","Biological oxidations","Metabolism of carbohydr
ates","Disorders of transmembrane transporters","Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","Cellular responses to stress","Reversible hydration of carbon dioxide","Metabol
ism of steroids","Leishmania infection","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Glucose metabolism","SLC transporter disorders","Signali
ng by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","Bile acid and bile salt metabolism","Leishmania parasite growth and survival","Cytochrome P
450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Ethanol oxidation",Glycolysis,"Defective SLC12A3 causes Gitelman syndrome (GS)","Interleukin-12 family signaling","Regulation of g
ene expression by Hypoxia-inducible Factor","Synthesis of bile acids and bile salts","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Biosynthesis of maresins","Interl
eukin-12 signaling","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Biosynthesis of maresin-like SP
Ms","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{91-33-8,91338,Benzothiazide,Aquatag,Dihydrex,Lemazide,Fovane,Freeuril,Diucen,Edemex,Exosalt,Proaqua,Urese,Exna,Diucene,Regulon,"Pfizer 1393",Benzotiazida,Benzthiazidum,3-Benzylthiomethyl-6-chloro-7-s
ulfamoyl-1,3Benzylthiomethyl6chloro7sulfamoyl1,2,"4-benzothiadiazine 1","4benzothiadiazine 1",1,1500141,Prestw-824,BENZTHIAZIDE,Benzthiazide}

> <pdid>
PD002458

> <targets>
{}

> <classes>
{antihypertensive,diuretic}

> <pubchem_cids>
{2343}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    9.9857   -0.0431    0.0000 H   0  3
    7.4857   -0.0431    0.0000 Cl  0  5
    4.9852    2.6764    0.0000 C   0  0
    3.8856    1.6562    0.0000 N   0  0
    4.2194    0.1938    0.0000 C   0  0
    3.1198   -0.8265    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.4522    2.0983    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  7  1  0
 22 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11861

> <plate>
PLATE 012

> <well>
C11

> <supplier_cmpd_name>
Mianserin hydrochloride

> <ctcr_id>
961

> <supplier_cmpd_id>
T0783

> <smiles>
[H+].[Cl-].CN1CCN2C(C1)c3ccccc3Cc4ccccc24

> <pd_targets>
{ADRA1A,ADRA2A,TP53,CYP3A4,HTR6,SLC6A4,HTR7,HTR1B,DRD3,TYR1,HRH1,DRD2,ADRA2C,FFP,HTR2A,HTR2C,CHRM5,ADRA1B,ADRA1D,ADRA2B,KMT2A,MEN1,PMP22,HTR1D,HTR1A,HTR1E,HRH2,HTR3A,HTR3B,HTR3C,HTR3D,HTR3E,HTR2B,BLM,
ALD,HPGD,SCN1A,SCN2A,SCN3A,DRD4,HTT,SLC6A2,ABCB11,HTR1F,LMNA,ALDH1A1,LPAR1,CHRM2,CHRM3,CHRM4,CHRM1,HRH4,OPRK1,SLC6A3,DRD1,DRD5,TSHR,CYP2D6,CYP2C9,CYP1A2,KDM4E,CYP2C19}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,Transporter,"Epigenetic regulator","Unclassified protein","Ion channel","Other nuclear protein","Family A G protein-coupled receptor","Cytochrome P45
0","Electrochemical transporter",Transferase,Reader,"Ligand-gated ion channel","Voltage-gated ion channel","Primary active transporter",Oxidoreductase,"Small molecule receptor (family A GPCR)","Cytoch
rome P450 family 3","SLC superfamily of solute carriers",Bromodomain,"5HT3 receptor","Voltage-gated sodium channel","ATP-binding cassette","Peptide receptor (family A GPCR)","Monoamine receptor","Cyto
chrome P450 family 3A","SLC06 neurotransmitter transporter family","ABCB subfamily","Lipid-like ligand receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Adrenergic receptor","Cytochr
ome P450 3A4","Serotonin receptor","Dopamine receptor","Trace amine receptor","Histamine receptor","Acetylcholine receptor","EDG receptor","Opioid receptor",Eraser,"Cytochrome P450 family 2","Cytochro
me P450 family 1","Lysine demethylase","Glycohormone receptor","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Jumonji domain-containing","Cytochrome P450 2D6","Cy
tochrome P450 2C9","Cytochrome P450 1A1","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Eicosanoid turnover","ATP-binding cassette transporter family","Lig
and-gated ion channels","CYP3 family","5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","Dopamine receptors","Histamine receptors",Adrenoceptors,"Acetylcholine receptors (musc
arinic)","Prostaglandin synthases","ABCB subfamily","5-HT<sub>3</sub> receptors","Lysophospholipid (LPA) receptors","Opioid receptors","Monoamine transporter subfamily","Chromatin modifying enzymes","
Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","CYP1 family","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,"Neuronal System","Signal Transduction","Developmental Biology","DNA Repair","Gene expression (Transcription)","Cell Cycle Checkpoints","Metabolism of lipids","Infecti
ous disease","Transmission across Chemical Synapses","Signaling by GPCR","Nervous system development","DNA Double-Strand Break Repair","RNA Polymerase II Transcription",Mitotic,"Biological oxidations"
,"Disorders of transmembrane transporters","G1/S DNA Damage Checkpoints","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Neurotransmitter clearance","GPCR ligand bi
nding","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Generic Transcription Pathway","Metabolism of steroids","M Phase","Phase I - Functionalization of co
mpounds","SLC transporter disorders","p53-Dependent G1/S DNA damage checkpoint","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Serotonin clearance from the synaptic clef
t","Class A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by MECP2","Bile acid and bile salt metabolism","Mito
tic Metaphase and Anaphase","Ethanol oxidation","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","p53-Dependent G1 DNA Damage Re
sponse","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","HDR through Homologous Recombination (HRR)","Biosynthesis of D
-series resolvins","Regulation of MECP2 expression and activity","Synthesis of bile acids and bile salts","Mitotic Anaphase","Lysosphingolipid and LPA receptors","MECP2 regulates neuronal receptors an
d channels","Stabilization of p53","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors","Dopamine receptors","Histamine receptors",Adreno
ceptors,"Muscarinic acetylcholine receptors","Homologous DNA Pairing and Strand Exchange","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Aut
odegradation of the E3 ubiquitin ligase COP1","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Cytochrome P450 - arranged by substra
te type",Xenobiotics,"CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,HRH1,HRH2,HTR2A,HTR2B,HTR2C,HTR6,HTR7}

> <broad_moa>
{"serotonin receptor antagonist"}

> <synonyms>
{"Mianserin hydrochloride",21535-47-7,21535477,"Mianserin HCl","Mianserine hydrochloride",Tolvon,"ORG GB 94","Mianserin (hydrochloride)","mianserine HCl",MLS000069681,Athymil,Lerivon,SMR000058472,Bolv
idon,MFCD00055072,Tolvin,CHEBI:31843,S,T0783,S1382,2300292,Prestw-99,"MIANSERIN HYDROCHLORIDE"}

> <pdid>
PD009326

> <targets>
{Others}

> <classes>
{"Neuronal Signaling","5HT antagonist"}

> <pubchem_cids>
{68551,657192}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0136   -6.0070    0.0000 C   0  0
    1.2894   -5.2638    0.0000 O   0  0
   -0.0210   -7.5070    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11862

> <plate>
PLATE 012

> <well>
D2

> <supplier_cmpd_name>
Tolfenamic Acid

> <ctcr_id>
5585

> <supplier_cmpd_id>
T0784

> <smiles>
Cc1c(Cl)cccc1Nc2ccccc2C(O)=O

> <pd_targets>
{TTR,AKR1C3,HIF1A,KMT2A,MEN1,CYP2C9,MAPT,AR,LMNA,ALD,CYP3A4,PLA2G1B,FABP2,CYP2C19,ATG4B,HPGD,USP2,CYP1A2,FTL,RORC,PTGS1,PTGS2}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,"Transcription factor","Epigenetic regulator","Other cytosolic protein","Other nuclear protein","Auxiliary transport protein","Unclassified protein",Reader,"Cytochrome P450"
,"Nuclear receptor",Hydrolase,"Fatty acid binding protein family",Protease,Oxidoreductase,Bromodomain,"Cytochrome P450 family 2","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 3","Cyst
eine protease","Cytochrome P450 family 1","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 family 3A","Cysteine protea
se CA clan","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 3 group C member 4","Cytochrome P450 3A4","Cytochrome P
450 2C19","Cysteine protease C19 family","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,Transthyretin,"Eicosanoid turnover","Cytochrome P450","Nuclear hormone receptors","Glycerophospholipid turnover","Fatty acid-binding proteins","Peptidases an
d proteinases","Prostaglandin synthases","CYP2 family: drug metabolising subset","Steroid hormone receptors","CYP3 family","Phospholipase A<sub>2</sub>","CA: Cysteine (C) Peptidases","CYP1 family","1F
. Retinoic acid-related orphans",Cyclooxygenase,"3C. 3-Ketosteroid receptors","C54: Aut2 peptidase","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Cellular responses to external stimuli","Neuronal System","Gene expression (Transcription)","Cell Cycle",Autophagy,"Vesicle-mediated transport","Signaling by GPCR","
Metabolism of lipids","Cellular responses to stress","Biological oxidations","Transmission across Chemical Synapses","RNA Polymerase II Transcription",Mitotic,Macroautophagy,"Membrane Trafficking","GP
CR downstream signalling","Metabolism of steroids","Cellular response to hypoxia","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Generic 
Transcription Pathway","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Phospholipid metabolism","Triglyceride metabolism","trans-Golgi Network Vesicle Budding","Fatty acid metab
olism","G alpha (i) signalling events","Bile acid and bile salt metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","A
ctivation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Glycerophospholipid biosynthesis","Trigl
yceride catabolism","Transcriptional Regulation by TP53","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX3","Arachidonic acid metabolism","Biosynthesis of DPA-derived SPMs","V
isual phototransduction","Synthesis of bile acids and bile salts",Xenobiotics,"Post NMDA receptor activation events","RUNX2 regulates bone development","Mitotic Anaphase","Biosynthesis of maresins","A
cyl chain remodelling of PC","Biosynthesis of D-series resolvins","Regulation of TP53 Activity","RUNX3 Regulates Immune Response and Cell Migration","Synthesis of Prostaglandins (PG) and Thromboxanes 
(TX)","Biosynthesis of DPAn-3 SPMs","The canonical retinoid cycle in rods (twilight vision)","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","CYP2E1 reactions","Activation of AMPK d
ownstream of NMDARs","RUNX2 regulates osteoblast differentiation","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Regulation of TP53 Expression and Degradation","Aromatic amine
s can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{}

> <broad_moa>
{"cyclooxygenase inhibitor","prostanoid receptor antagonist"}

> <synonyms>
{RESTW20,"tolfenamic acid",13710-19-5,13710195,Clotam,Tolfedine,"2-((3-Chloro-2-methylphenyl)amino)benzoic Acid","2((3Chloro2methylphenyl)amino)benzoic Acid","N-(3-Chloro-2-methylphenyl)anthranilic ac
id","N(3Chloro2methylphenyl)anthranilic acid","GEA 6414","Acido tolfenamico","Acide tolfenamique","Acidum tolfenamicum",2-((3-Chloro-2-methylphenyl),2((3Chloro2methylphenyl),T0784,1501198,Prestw-205,"
Tolfenamic Acid","TOLFENAMIC ACID","Tolfenamic acid"}

> <pdid>
PD001455

> <targets>
{}

> <classes>
{antiinflammatory,analgesia}

> <pubchem_cids>
{610479}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  1  0            999 V2000
    5.1894   -6.0108    0.0000 C   0  0
    3.8917   -5.2586    0.0000 N   0  0
    2.5915   -6.0067    0.0000 C   0  0
    3.8934   -3.7577    0.0000 C   0  0
    2.5949   -3.0050    0.0000 C   0  0
    2.5966   -1.5042    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    5.1956   -1.5125    0.0000 N   0  0
   10.3023   -0.3804    0.0000 O   0  0
   10.3023   -1.8804    0.0000 C   0  0
    9.0030   -2.6300    0.0000 O   0  0
   11.6023   -2.6304    0.0000 C   0  0
   12.9023   -1.8804    0.0000 C   0  0
   12.9037   -0.3796    0.0000 C   0  0
   11.6051    0.3712    0.0000 O   0  0
   14.2030    0.3700    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
  6 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11863

> <plate>
PLATE 012

> <well>
D3

> <supplier_cmpd_name>
Dexchlorpheniramine Maleate

> <ctcr_id>
2298

> <supplier_cmpd_id>
T0785

> <smiles>
CN(C)CC[C@@H](c1ccc(Cl)cc1)c2ccccn2.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Dexchlorpheniramine maleate",2438-32-6,2438326,"2438 32 6","(+)-Chlorpheniramine maleate","(+)Chlorpheniramine maleate","(+) Chlorpheniramine maleate",Polaramine,"d-Chlorpheniramine maleate","dChlor
pheniramine maleate","d Chlorpheniramine ma",SAM001246557,CPD000471617}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5281070}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    6.6043    3.6378    0.0000 Br  0  5
    0.0887   -2.2858    0.0000 C   0  0
    0.1097   -0.7860    0.0000 N   0  3
    1.4440   -1.4074    0.0000 C   0  0
    1.1881    0.0000    0.0000 C   0  0
    0.0000    0.5484    0.0000 C   0  0
   -1.5537    0.0000    0.0000 C   0  0
   -1.3709   -1.4257    0.0000 C   0  0
    0.0000    2.1386    0.0000 C   0  0
    0.3656    1.0236    0.0000 C   0  0
   -0.3229    3.5920    0.0000 O   0  0
    0.7840    4.6055    0.0000 C   0  0
    2.2142    4.1534    0.0000 O   0  0
    0.4607    6.0711    0.0000 C   0  0
    1.8909    5.6190    0.0000 O   0  0
    1.5676    7.0846    0.0000 C   0  0
    2.9980    6.6329    0.0000 C   0  0
    4.1043    7.6459    0.0000 C   0  0
    3.7803    9.1105    0.0000 C   0  0
    2.3499    9.5621    0.0000 C   0  0
    1.2436    8.5492    0.0000 C   0  0
   -0.9703    6.5234    0.0000 C   0  0
   -2.0769    5.5108    0.0000 C   0  0
   -3.5072    5.9629    0.0000 C   0  0
   -3.8308    7.4276    0.0000 C   0  0
   -2.7241    8.4402    0.0000 C   0  0
   -1.2939    7.9881    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10  3  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 14 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11864

> <plate>
PLATE 012

> <well>
D4

> <supplier_cmpd_name>
Clidinium bromide

> <ctcr_id>
3162

> <supplier_cmpd_id>
T0786

> <smiles>
[Br-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4

> <pd_targets>
{CHRM2,CHRM3,AMPC,CHRM1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Family A G protein-coupled receptor",Hydrolase,"Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM1,CHRM3}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"CLIDINIUM BROMIDE",3485-62-9,3485629,"Clidinium (bromide)",Quarzan,"Ro 2-3773","Ro 23773","Clidinii bromidum","Bromuro de clidinio","Bromure de clidinium","3-Hydroxy-1-methylquinuclidinium bromide b
enzilate","3Hydroxy1methylquinuclidinium bromide benzilate","Quinuclidinol methylbromide, benzilate",1-M,1M,T0786,1500192,Prestw-822,"Clidinium bromide"}

> <pdid>
PD009727

> <targets>
{}

> <classes>
{anticholinergic}

> <pubchem_cids>
{19004}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 43 47  0  0  1  0            999 V2000
   -3.9277   -9.7248    0.0000 C   0  0
   -3.9224   -8.2248    0.0000 C   0  0  2  0  0  0
   -2.6208   -7.4793    0.0000 O   0  0
   -2.6155   -5.9793    0.0000 C   0  0  1  0  0  0
   -1.3117   -5.2360    0.0000 O   0  0
   -0.0156   -5.9928    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
    1.2935   -3.7495    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    6.4923    3.7567    0.0000 O   0  0
    3.8943    3.7525    0.0000 C   0  0
    3.8919    5.2525    0.0000 O   0  0
    2.5964    3.0004    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0  1  0  0  0
    5.1932   -3.0130    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0  1  0  0  0
    5.1828   -6.0130    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    2.5796   -7.5040    0.0000 O   0  0
   -3.9120   -5.2248    0.0000 C   0  0  1  0  0  0
   -3.9068   -3.7248    0.0000 O   0  0
   -5.2137   -5.9703    0.0000 C   0  0  2  0  0  0
   -6.5101   -5.2158    0.0000 O   0  0
   -5.2189   -7.4703    0.0000 C   0  0  1  0  0  0
   -6.5205   -8.2158    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  6
  5  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 14  1  0
 21 22  1  0
 22 11  1  0
 22 23  2  0
 12 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  2  0
 31 24  1  0
  9 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  1
 34 36  1  0
 36  7  1  0
 36 37  1  6
  4 38  1  0
 38 39  1  6
 38 40  1  0
 40 41  1  1
 40 42  1  0
 42  2  1  0
 42 43  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11865

> <plate>
PLATE 012

> <well>
D5

> <supplier_cmpd_name>
Rutin

> <ctcr_id>
7806

> <supplier_cmpd_id>
T0795

> <smiles>
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O

> <pd_targets>
{XDH,NA,ADRA2C,ALB,KDM1A,ACHE,TGR,PRSS1,PRSS2,PRSS3,ADRA2A,AKR1B1,POLB,GAA,MAPK1,EPHX2,ALD,NANH,KDM4E,MAPT,NMUR2,CYP3A4,L3MBTL1,APEX1,RECQL,AMPC,DYRK1A}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Secreted protein","Epigenetic regulator","Other cytosolic protein",Oxidoreductase,Hydrolase,"Family A G protein-coupled receptor",Eraser,Protease,Kinase,"Cytochrome P450",
"Small molecule receptor (family A GPCR)","Lysine demethylase","Serine protease","Protein Kinase","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Monoamine receptor","Lysine-specific de
methylase","Serine protease PA clan","CMGC protein kinase group","Serine protease SC clan","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Adrenergic 
receptor","Serine protease S1A subfamily","CMGC protein kinase MAPK family","Serine protease S33 family","Neuromedin U receptor","Cytochrome P450 3A4","CMGC protein kinase ERK1",Reader,"Methyl-lysine/
arginine binding protein","MBT domain","CMGC protein kinase DYRK family","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"1.-.-.- Oxidoreductases","G protein-coupled receptors","Chromatin modifying enzymes","Acetylcholine turnover","3.2.1.- Glycosidases","Kinases (EC 2.7.x.x)",Hydrolases,"Cytochrome P
450",Adrenoceptors,"1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuromedin U receptors","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfam
ily","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Dyrk1 subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","DNA Repair",Disease,"Immune System","Neuronal System","Metabolism of nucleotides","Signaling by GPCR","Metabolism of lipids","Intracellular signaling by second messe
ngers","Base Excision Repair","Diseases of metabolism","Innate Immune System","Transmission across Chemical Synapses","Nucleobase catabolism","GPCR ligand binding","Metabolism of steroids","PIP3 activ
ates AKT signaling","Phospholipid metabolism","Resolution of Abasic Sites (AP sites)","Diseases of carbohydrate metabolism","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving medi
ators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Purine catabolism","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","PTEN Regulation","Glyce
rophospholipid biosynthesis","Metabolism of steroid hormones","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycogen storage diseases","Toll Like Receptor 5 (TLR5) Ca
scade","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Amine ligand-binding receptors","Recycling of bile acids and salts","Regulation of PTEN gene transcrip
tion","Synthesis of PC","Pregnenolone biosynthesis","PCNA-Dependent Long Patch Base Excision Repair","Glycogen storage disease type II (GAA)","MyD88 cascade initiated on plasma membrane","Biosynthesis
 of maresins","Post NMDA receptor activation events","Peptide ligand-binding receptors",Adrenoceptors,"MAP kinase activation","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SP
Ms","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated","Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway"
,"Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity through Methylation","Cell Cycle",Mitotic,"Mitotic G1 phase and G1/S transition","G0 and Early G1"}

> <broad_targets>
{AKR1C3}

> <broad_moa>
{antioxidant,"capillary stabilizing agent","nitric oxide scavenger"}

> <synonyms>
{SW2192401,"SW219240 1",BRD-K22924152-001-01-4,BRDK22924152001014,"BRD K22924152 001 01 4",S2350,Rutin}

> <pdid>
PD001996

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{129009988}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 23  0  0  0  0            999 V2000
    2.5855    3.0016    0.0000 O   0  0
    2.5912    1.5016    0.0000 C   0  0
    3.8933    0.7554    0.0000 C   0  0
    5.1897    1.5099    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4964    0.7591    0.0000 O   0  0
    7.8003   -1.4887    0.0000 C   0  0
    9.0983   -0.7368    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16  7  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11866

> <plate>
PLATE 012

> <well>
D6

> <supplier_cmpd_name>
Lactulose

> <ctcr_id>
2689

> <supplier_cmpd_id>
T0799

> <smiles>
OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(=O)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{FT-0619326,FT0619326,FT-0628139,FT0628139,S1511,Lactulose}

> <pdid>
PD012024

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{3278275}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  2  1  0
 18  6  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11867

> <plate>
PLATE 012

> <well>
D7

> <supplier_cmpd_name>
Antrapurol

> <ctcr_id>
176

> <supplier_cmpd_id>
T0800

> <smiles>
Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12

> <pd_targets>
{FFP,MAPT,KMT2A,MEN1,HSD17B10,MAPK1,HTT,ALDH1A1,RORC,HPGD,ALOX15,LMNA,TSHR,RXRA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator",Transferase,Reader,Bromodomain,"Unclassified protein","Transcription factor","Other nuclear protein","Membrane receptor",Oxidoreductase,Kinase,
"Nuclear receptor","Family A G protein-coupled receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 2","CMGC protein
 kinase group","Nuclear hormone receptor subfamily 1 group F","Glycohormone receptor","Nuclear hormone receptor subfamily 2 group B","CMGC protein kinase MAPK family","Nuclear hormone receptor subfami
ly 1 group F member 3","Nuclear hormone receptor subfamily 2 group B member 1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Eicosanoid turnover","G protein-coupled receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orp
hans","Prostaglandin synthases",Lipoxygenases,"Glycoprotein hormone receptors","2B. Retinoid X receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs",Metabolism,"Immune System","Gene expression (Transcription)","Cell Cycle",Disease,"Metabolism of amino acids and derivatives","Innate Immun
e System","RNA Polymerase II Transcription","Biological oxidations","Metabolism of lipids",Mitotic,"Infectious disease","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Generic Tr
anscription Pathway","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Leishmania infection","Metabolism of steroids","Toll Like Recepto
r 5 (TLR5) Cascade","Transcriptional Regulation by MECP2","Ethanol oxidation","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Mitotic Metap
hase and Anaphase","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","MyD88 cascade initiated on plasma membrane","Regulation of MECP2 expression and activity","RUNX3 Regu
lates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Sy
nthesis of bile acids and bile salts","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines
 production","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targe
ts","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{laxative}

> <synonyms>
{danthron,"1,8-Dihydroxyanthraquinone","1,8Dihydroxyanthraquinone",117-10-2,117102,Chrysazin,Dantron,Antrapurol,Dorbane,Istizin,Laxanthreen,Diaquone,Laxanorm,Altan,"1,8-Dihydroxyanthracene-9,10-dione"
,"1,8Dihydroxyanthracene9,10dione",Laxipurin,Zwitsalax,Danivac,Dionone,Duolax,Laxipur,9,10-Anthracenedione,10Anthracenedione,1,8-dih,8dih,T0800,NSC7210,211468,"NSC 7210",DANTHRON,LTAN}

> <pdid>
PD000118

> <targets>
{AMPK,Autophagy,Bacterial,Virus Protease}

> <classes>
{cathartic,Anti-infection,Autophagy,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{2950}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

122132  0  0  1  0            999 V2000
   -1.1502   -3.7659    0.0000 O   0  0
    0.1404   -3.0015    0.0000 C   0  0
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    1.4144   -0.7372    0.0000 C   0  0
    2.7217   -1.4728    0.0000 C   0  0
    2.7383   -2.9727    0.0000 C   0  0
    4.0456   -3.7082    0.0000 O   0  0
    1.4477   -3.7371    0.0000 C   0  0
    1.4643   -5.2370    0.0000 O   0  0
    1.4009    0.7635    0.0000 C   0  0
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    2.6933    1.5265    0.0000 O   0  0
    2.6798    3.0272    0.0000 C   0  0
    1.3725    3.7629    0.0000 C   0  0
    1.3559    5.2628    0.0000 C   0  0
    2.6465    6.0271    0.0000 C   0  0
    3.9538    5.2916    0.0000 C   0  0
    5.2445    6.0559    0.0000 O   0  0
    3.9704    3.7916    0.0000 C   0  0
    5.2777    3.0561    0.0000 O   0  0
    0.0494    6.0015    0.0000 C   0  0
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    0.0350    7.5023    0.0000 O   0  0
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   -1.2860    9.7417    0.0000 C   0  0  1  0  0  0
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   -0.0040   12.0016    0.0000 C   0  0  2  0  0  0
    1.2915   12.7592    0.0000 O   0  0
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    3.8915   12.7745    0.0000 C   0  0
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    6.4843   14.2836    0.0000 C   0  0
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    6.4896   12.7836    0.0000 C   0  0
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    9.0998    8.2857    0.0000 C   0  0
   10.4014    7.5403    0.0000 C   0  0
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   11.6926    9.7948    0.0000 C   0  0
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    5.1932   12.0291    0.0000 C   0  0
   -1.3087   12.7417    0.0000 C   0  0  2  0  0  0
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    1.2814   14.2586    0.0000 O   0  0
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   -1.3320   17.2473    0.0000 C   0  0
   -1.3372   18.7473    0.0000 C   0  0
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   -0.0408   19.5018    0.0000 C   0  0
   -0.0461   21.0018    0.0000 O   0  0
    1.2608   18.7564    0.0000 C   0  0
    2.5595   19.5087    0.0000 O   0  0
    3.8608   18.7610    0.0000 C   0  0
    3.8635   17.2610    0.0000 O   0  0
    5.1595   19.5133    0.0000 C   0  0
    6.4612   18.7679    0.0000 C   0  0
    7.7576   19.5224    0.0000 C   0  0
    9.0593   18.7770    0.0000 O   0  0
    7.7524   21.0224    0.0000 C   0  0
    9.0488   21.7770    0.0000 O   0  0
    6.4507   21.7679    0.0000 C   0  0
    6.4455   23.2679    0.0000 O   0  0
    5.1543   21.0134    0.0000 C   0  0
    1.2661   17.2564    0.0000 C   0  0
   -2.6020   11.9818    0.0000 C   0  0  1  0  0  0
   -3.9060   12.7250    0.0000 O   0  0
   -3.9152   14.2258    0.0000 C   0  0
   -2.6206   14.9834    0.0000 O   0  0
   -5.2191   14.9690    0.0000 C   0  0
   -6.5156   14.2145    0.0000 C   0  0
   -7.8173   14.9600    0.0000 C   0  0
   -9.1137   14.2054    0.0000 O   0  0
   -7.8225   16.4600    0.0000 C   0  0
   -9.1242   17.2054    0.0000 O   0  0
   -6.5261   17.2145    0.0000 C   0  0
   -6.5283   18.7154    0.0000 O   0  0
   -5.2301   19.4685    0.0000 C   0  0
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   -5.2323   20.9693    0.0000 C   0  0
   -3.9359   21.7239    0.0000 C   0  0
   -3.9411   23.2239    0.0000 C   0  0
   -2.6447   23.9784    0.0000 O   0  0
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   -5.2480   25.4694    0.0000 O   0  0
   -6.5392   23.2148    0.0000 C   0  0
   -7.8408   23.9603    0.0000 O   0  0
   -6.5340   21.7149    0.0000 C   0  0
   -5.2245   16.4691    0.0000 C   0  0
   -2.5906   10.4819    0.0000 C   0  0  2  0  0  0
   -3.8862    9.7243    0.0000 O   0  0
   -5.1906   10.4667    0.0000 C   0  0
   -5.1993   11.9667    0.0000 O   0  0
   -6.4862    9.7092    0.0000 C   0  0
   -7.7909   10.4493    0.0000 C   0  0
   -9.0843    9.6895    0.0000 C   0  0
  -10.3889   10.4297    0.0000 O   0  0
   -9.0729    8.1895    0.0000 C   0  0
  -10.3663    7.4298    0.0000 O   0  0
   -7.7683    7.4494    0.0000 C   0  0
   -7.7539    5.9486    0.0000 O   0  0
   -6.4474    5.2099    0.0000 C   0  0
   -5.1554    5.9719    0.0000 O   0  0
   -6.4330    3.7091    0.0000 C   0  0
   -5.1284    2.9689    0.0000 C   0  0
   -5.1170    1.4689    0.0000 C   0  0
   -3.8123    0.7288    0.0000 O   0  0
   -6.4103    0.7091    0.0000 C   0  0
   -6.3990   -0.7908    0.0000 O   0  0
   -7.7150    1.4493    0.0000 C   0  0
   -9.0083    0.6894    0.0000 O   0  0
   -7.7264    2.9492    0.0000 C   0  0
   -6.4749    8.2091    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
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  6  7  1  0
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  8  2  1  0
  8  9  1  0
  4 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
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 15 21  1  0
 21 22  2  0
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 23 24  1  0
 25 24  1  6
 25 26  1  0
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 27 28  1  1
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
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 35 37  1  0
 37 38  1  0
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 27 51  1  0
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 85 86  1  0
 86 87  1  0
 87 88  2  0
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 89 90  2  0
 90 91  1  0
 91 92  1  0
 91 93  2  0
 93 94  1  0
 93 95  1  0
 95 96  1  0
 95 97  2  0
 97 89  1  0
 85 98  2  0
 98 79  1  0
 75 99  1  0
 99 25  1  0
 99100  1  1
100101  1  0
101102  2  0
101103  1  0
103104  2  0
104105  1  0
105106  1  0
105107  2  0
107108  1  0
107109  1  0
109110  1  0
110111  1  0
111112  2  0
111113  1  0
113114  2  0
114115  1  0
115116  1  0
115117  2  0
117118  1  0
117119  1  0
119120  1  0
119121  2  0
121113  1  0
109122  2  0
122103  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11868

> <plate>
PLATE 012

> <well>
D8

> <supplier_cmpd_name>
Tannic acid

> <ctcr_id>
3740

> <supplier_cmpd_id>
T0801

> <smiles>
Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@H](OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)[C@H](OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)[C@@H](OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)
c9)c8)[C@@H]3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10

> <pd_targets>
{DLAT,CA1,TST,GROES,GROL,HSPD1,HSPE1,AKR1B1,CA6,HMGCR,L3MBTL1,LTC4S,ALOX15,MAPK14,CA2,TGR,AMPC,MAPK1,MAPK3,USP2,CYP1A2,FYN,TBXAS1,SLCO1B1,CYP2C9,SLCO1B3,LCK,PDE5A,ANO1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Epigenetic regulator",Transporter,"Ion channel",Lyase,Transferase,Oxidoreductase,Reader,Kinase,Hydrolase,Protease,"Cytochrome P450","Electroch
emical transporter",Phosphodiesterase,"Other ion channel","Methyl-lysine/arginine binding protein","Protein Kinase","Cysteine protease","Cytochrome P450 family 1","Cytochrome P450 family 5","SLC super
family of solute carriers","Cytochrome P450 family 2","Phosphodiesterase 5","Chloride channel","MBT domain","CMGC protein kinase group","Cysteine protease CA clan","Cytochrome P450 family 1A","TK prot
ein kinase group","Cytochrome P450 family 5A","SLC21/SLCO family of organic anion transporting polypeptides","Cytochrome P450 family 2C","Phosphodiesterase 5A","Calcium-activated chloride channel","CM
GC protein kinase MAPK family","Cysteine protease C19 family","Cytochrome P450 1A1","Tyrosine protein kinase Src family","Cytochrome P450 5A1","Cytochrome P450 2C9","CMGC protein kinase p38 subfamily"
,"CMGC protein kinase ERK1","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Carbonic anhydrases","1.-.-.- Oxidoreductases","Lanosterol biosynthesis pathway","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Peptidases and proteinase
s","Cytochrome P450","Catalytic receptors","SLC superfamily of solute carriers","Cyclic nucleotide turnover/signalling","Other ion channels","Leukotriene and lipoxin metabolism",Lipoxygenases,"CMGC: C
ontaining CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C) Peptidases","CYP1 family","Receptor kinases",CYP5,"CYP7 and CYP8 families","SLCO family of organic anion transporting polypeptides","CYP2 fami
ly: drug metabolising subset",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Chloride channels","Mitogen-activated protein kinases (MAP kinases)","C19: Ubiquitin-specific protease","TK: Tyrosine
 kinase","Calcium activated chloride channel","p38 subfamily","ERK subfamily","Non-receptor tyrosine kinases (nRTKs)","Src family"}

> <pathway_reactome>
{Disease,"Immune System",Metabolism,"Gene expression (Transcription)","Transport of small molecules",Hemostasis,"Infectious disease","Cytokine Signaling in Immune system","Metabolism of amino acids an
d derivatives","Metabolism of lipids","Reversible hydration of carbon dioxide","RNA Polymerase II Transcription","Innate Immune System","O2/CO2 exchange in erythrocytes","Biological oxidations","Plate
let homeostasis","Ion channel transport","Infection with Mycobacterium tuberculosis","Signaling by Interleukins","Sulfur amino acid metabolism","Metabolism of steroids","Generic Transcription Pathway"
,"Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Erythrocytes take up carbon dioxide and release oxygen","Phase I - Functionalization of compounds","HIV Infe
ction","Nitric oxide stimulates guanylate cyclase","Stimuli-sensing channels","Latent infection - Other responses of Mtb to phagocytosis","Interleukin-12 family signaling","Degradation of cysteine and
 homocysteine","Metabolism of steroid hormones","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional Regulation by TP53","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-d
erived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","Host Interactions of HIV factors","Bile acid and bile salt metabolism","cGMP effects","Cell redox hom
eostasis","Interleukin-12 signaling","Sulfide oxidation to sulfate","Pregnenolone biosynthesis","Activation of gene expression by SREBF (SREBP)","Regulation of TP53 Activity","Biosynthesis of DHA-deri
ved sulfido conjugates","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane",Xenobiotics,"The role of Nef in HIV-1 replication and disease pathogenesis",Eicosanoids,"Recycling of
 bile acids and salts","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Regulation of TP53 Activity through Methylation","Biosynthesis of maresin conjugates in tis
sue regeneration (MCTR)","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","Regulation of TP53 Expression and Degradation","Aromatic amines can be N-hydroxylated or N-d
ealkylated by CYP1A2","Nef and signal transduction","CYP2E1 reactions","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","MAPK targets/ Nuclear events me
diated by MAP kinases","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ANO1}

> <broad_moa>
{"PARG inhibitor"}

> <synonyms>
{KBioGR_001056,KBioGR001056,KBioGR-001056,"KBioGR 001056",Spectrum3_001616,Spectrum3001616,Spectrum3-001616,"Spectrum3 001616",Spectrum4_000588,Spectrum4000588,Spectrum4-000588,"Spectrum4 000588",Spec
trum5_001292,Spectrum5001292,Spectrum5-001292,"Spectrum5 001292","TANNIC ACID",Glycerite,1401-55-4,1401554,SR-05000001967,SR05000001967,Spectrum_001585,Spectrum001585,Spectrum-001585,"Spectrum 001585"
,SpecPlus_000817,SpecPlus000817,SpecPlus-000817,"SpecPlus 000817",Spectrum2_000543,Spectrum2000543,Spectrum2-000543,"Spectrum2 000543",KBioSS_002065,KBioSS002065,KBioSS-002065,"KBioSS 002065",DivK1c_0
06913,DivK1c006913,DivK1c-006913,"DivK1c 006913",SPECTRUM1504105,SPBio_000585,SPBio000585,SPBio-000585,"SPBio 000585",CHEMBL3039201,SCHEMBL,T0801,1504105,"Tannic acid"}

> <pdid>
PD001283

> <targets>
{Potassium Channel}

> <classes>
{nonspecific enzyme/receptor blocker,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{16134267}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 17  0  0  0  0            999 V2000
   11.4894   -3.3822    0.0000 H   0  3
    8.9894   -3.3822    0.0000 Cl  0  5
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7601    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11869

> <plate>
PLATE 012

> <well>
D9

> <supplier_cmpd_name>
Procaine hydrochloride

> <ctcr_id>
3911

> <supplier_cmpd_id>
T0802

> <smiles>
[H+].[Cl-].CCN(CC)CCOC(=O)c1ccc(N)cc1

> <pd_targets>
{ALD,NFO,BLM,NPSR1,CYP2D6,CHRM1,TSHR,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,RYR2,RYR1,GRIN3A,HTR3A,SLC6A3,CHRNA2,KCNMA1,KCNMB1,KCNMB2,KCNMB3,KCNMB4,KCNN1,KCNN2,KCNN3,KCNN4,PLA2G
4A,ASPG,MAOA,MAOB,DNMT1,DNMT3A}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel",Transporter,"Epigenetic regulator",Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450","Voltage-gated ion channel","Ligand-gated ion channel","E
lectrochemical transporter",Oxidoreductase,Writer,Reader,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Voltage-gated sodium channel","Ryanodi
ne receptor","Ionotropic glutamate receptor","5HT3 receptor","SLC superfamily of solute carriers","Nicotinic acetylcholine receptor","DNA methyltransferase","Methyl-lysine/arginine binding protein","S
hort peptide receptor (family A GPCR)","Cytochrome P450 family 2D","Monoamine receptor","Glycohormone receptor","NMDA receptor","SLC06 neurotransmitter transporter family","Nicotinic acetylcholine rec
eptor alpha subunit","PWWP domain","Neuropeptide receptor","Cytochrome P450 2D6","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Cytochrome P450","Voltage-gated ion channels","Ligand-gated ion channels","SLC superfamily of solute carriers","Glyceropho
spholipid turnover","3.1.1.- Carboxylic Ester Hydrolases","2.1.1.- Methyltransferases","Neuropeptide S receptor","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","Glycopr
otein hormone receptors","Ryanodine receptors","Voltage-gated sodium channels","Ionotropic glutamate receptors","5-HT<sub>3</sub> receptors","SLC6 neurotransmitter transporter family","Nicotinic acety
lcholine receptors","Phospholipase A<sub>2</sub>","Monoamine transporter subfamily"}

> <pathway_reactome>
{"DNA Repair",Disease,Metabolism,"Signal Transduction","Muscle contraction","Developmental Biology","Neuronal System","Metabolism of proteins","DNA Double-Strand Break Repair","Infectious disease","Bi
ological oxidations","Signaling by GPCR","Cardiac conduction","Nervous system development","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Metabolism of amino acids 
and derivatives","Post-translational protein modification","Homology Directed Repair","Leishmania infection","Phase I - Functionalization of compounds","GPCR ligand binding","Ion homeostasis","Axon gu
idance","Neurotransmitter receptors and postsynaptic signal transmission","SLC transporter disorders","GPCR downstream signalling","Aspartate and asparagine metabolism",SUMOylation,"HDR through Homolo
gous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","L1CAM intera
ctions","Activation of NMDA receptors and postsynaptic events","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Acetylcholine binding and downstream events","G alpha (i) signalling e
vents","SUMO E3 ligases SUMOylate target proteins","HDR through Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Amine ligand-binding r
eceptors","Interaction between L1 and Ankyrins","Assembly and cell surface presentation of NMDA receptors","Postsynaptic nicotinic acetylcholine receptors","Opioid Signalling","SUMOylation of DNA meth
ylation proteins","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Muscarinic acetylcholine receptors","Highly calcium permeab
le postsynaptic nicotinic acetylcholine receptors","G-protein mediated events","Presynaptic phase of homologous DNA pairing and strand exchange","PLC beta mediated events","Ca-dependent events","phosp
ho-PLA2 pathway"}

> <broad_targets>
{CHRNA2,GRIN3A,HTR3A,KCNMA1,KCNMB1,KCNMB2,KCNMB3,KCNMB4,KCNN1,KCNN2,KCNN3,KCNN4,MAOA,MAOB,RYR1,RYR2,SCN10A,SLC6A3}

> <broad_moa>
{"HMGCR inhibitor"}

> <synonyms>
{"PROCAINE HYDROCHLORIDE",51-05-8,51058,"Procaine Hcl","2-(diethylamino)ethyl 4-aminobenzoate hydrochloride","2(diethylamino)ethyl 4aminobenzoate hydrochloride","Procaine (hydrochloride)",Allocaine,Sc
urocaine,"Novocaine hydrochloride",UNII-95URV01IDQ,UNII95URV01IDQ,"Benzoic acid",4-amino-,4amino,"2-(diethylamino)ethyl est","2(diethylamino)ethyl est",T0029,SAM002554920,1500504,Prestw-41,Procaine,CP
D000718771,"Procaine hydrochloride"}

> <pdid>
PD010059

> <targets>
{DNA/RNA Synthesis,Histone Demethylase}

> <classes>
{anesthetic (local),Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{5795,15939510,43833393,16057736,45489743}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 16  0  0  1  0            999 V2000
   10.9509   -1.0370    0.0000 Cl  0  5
    1.0161   -3.6157    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 C   0  0  2  0  0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
    2.6394    0.8543    0.0000 C   0  0
    3.7533   -0.1515    0.0000 C   0  0
    3.5751   -1.6281    0.0000 C   0  0
    4.9433   -2.2430    0.0000 N   0  0
    5.9509   -1.1317    0.0000 C   0  0
    5.2054    0.1699    0.0000 N   0  0
    5.8121    1.5417    0.0000 C   0  0
    8.4509   -1.0370    0.0000 H   0  3
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  8  9  2  0
  5 10  1  6
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
 15 16  1  0
M  CHG  2   1  -1  17   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11870

> <plate>
PLATE 012

> <well>
D10

> <supplier_cmpd_name>
(+)-Pilocarpine hydrochloride

> <ctcr_id>
1532

> <supplier_cmpd_id>
T0804

> <smiles>
[Cl-].CC[C@H]1[C@H](COC1=O)Cc2cncn2C.[H+]

> <pd_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,CYP3A4,LMNA,PMP22,MAPT,KDM4E,BLM,MACHR-A,CYP2A13,CYP2A6,CYP2C9}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor",Enzyme,"Other nuclear protein","Unclassified protein"
,"Other cytosolic protein","Epigenetic regulator","Cytochrome P450",Eraser,"Cytochrome P450 family 3","Lysine demethylase","Cytochrome P450 family 2","Cytochrome P450 family 3A","Jumonji domain-contai
ning","Cytochrome P450 family 2A","Cytochrome P450 3A4","Cytochrome P450 2A6","Cytochrome P450 family 2C","Cytochrome P450 2C9"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)",Enzymes,"Cytochrome P450","Chromatin modifying enzymes","CYP3 family","1.14.11.- Histone demethylases","CYP2 family: dru
g metabolising subset"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine receptors",Metabolism,"Cell Cycle","D
evelopmental Biology","Neuronal System","DNA Repair","Metabolism of lipids",Mitotic,"Nervous system development","Transmission across Chemical Synapses","DNA Double-Strand Break Repair","Biological ox
idations","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Neurotransmitter receptors and postsynaptic signal tra
nsmission","Homology Directed Repair","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic even
ts","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","Biosynthesis of maresins","Mitotic Anaphase","Post NMDA receptor activ
ation events","HDR through Homologous Recombination (HRR)",Xenobiotics,"Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Homologous DNA 
Pairing and Strand Exchange","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{ST023894,"Pilocarpine monohydrochloride",MCULE-3540263793,MCULE3540263793,"MCULE 3540263793","Pilocarpine hydrochloride",54-71-7,54717,"54 71 7","(+)-Pilocarpine hydrochloride","(+)Pilocarpine hydroc
hloride","(+) Pilocarpine hydrochloride","Pilocarpine HCl",Almocarpine,Pilocarpal,Pilocar,Salagen,"Pilocar SMP",Pilomiotin,Pil,T0804,SAM001246962,CPD000059053}

> <pdid>
PD007685

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{24207492,657364,44656245,5909}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 34  0  0  1  0            999 V2000
   17.9985   -0.0001    0.0000 Cl  0  5
    3.8841    3.7529    0.0000 C   0  0
    5.1855    3.0070    0.0000 C   0  0
    5.1912    1.5062    0.0000 O   0  0
    6.4933    0.7599    0.0000 C   0  0
    7.7897    1.5144    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0  2  0  0  0
    7.8003   -1.4887    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
   11.6994   -0.7342    0.0000 C   0  0
   12.9984   -1.4841    0.0000 C   0  0
   12.9985   -2.9841    0.0000 C   0  0
   11.6994   -3.7342    0.0000 C   0  0
   10.4004   -2.9842    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    3.8964    0.7545    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3032   -3.7490    0.0000 O   0  0
   15.4985   -0.0001    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  7 16  1  0
 16 17  1  0
 17 18  1  6
 17 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 28 29  1  0
 29 30  1  0
 30 21  1  0
 30 31  1  6
 31 32  1  0
 31 33  2  0
M  CHG  2   1  -1  34   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11871

> <plate>
PLATE 012

> <well>
D11

> <supplier_cmpd_name>
Quinapril hydrochloride

> <ctcr_id>
5895

> <supplier_cmpd_id>
T0805

> <smiles>
[Cl-].CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(O)=O.[H+]

> <pd_targets>
{ACE,ABCB11}

> <pathway_gtopdb>
{Enzyme,Transporter,Protease,"Primary active transporter","Metallo protease","ATP-binding cassette","Metallo protease MAE clan","ABCB subfamily","Metallo protease M2 family"}

> <pathway_chembl>
{Enzymes,Transporters,"Peptidases and proteinases","ATP-binding cassette transporter family","MA: Metallo (M) Peptidases","ABCB subfamily","M2: Angiotensin-converting  (ACE and ACE2)"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Peptide hormone metabolism","Metabolism of lipids","Metabolism of Angiotensinogen to Angiotensins","Metabolism of steroids","Bile acid and bile salt metabolism","
Synthesis of bile acids and bile salts","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{ACE}

> <broad_moa>
{"angiotensin converting enzyme inhibitor"}

> <synonyms>
{82586-55-8,82586558,"82586 55 8",Accupril,Accuprin,"QUINAPRIL HCL",Acequin,Quinazil,Korec,Hemokvin,Lidaltrin,Acuitel,Ectren,Conan,"Quinapril (hydrochloride)",Accupro,CI-906,CI906,"CI 906",Accuretic,U
NII-33067B3N2M,UNII33067B3N2M,"UNII 33067B3N2M","Quinapril  hydrochloride",CHEBI:8714,T0805,SAM002589972,1503076,Prestw-927,"Quinapril hydrochloride",CPD000499582,"Quinapril HCl","QUINAPRIL HYDROCHLOR
IDE"}

> <pdid>
PD009666

> <targets>
{}

> <classes>
{antihypertensive,"ACE inhibitor"}

> <pubchem_cids>
{66916691,54891}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 33  0  0  0  0            999 V2000
    7.6048    5.6130    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9985    0.0000 N   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 N   0  0
   -2.6016    7.4994    0.0000 C   0  0
   -1.3011    8.2485    0.0000 C   0  0
   -1.2986    9.7493    0.0000 C   0  0
    0.0020   10.4984    0.0000 C   0  0
    0.0067   11.9984    0.0000 C   0  0
    1.3080   12.7444    0.0000 C   0  0
    2.6048   11.9904    0.0000 C   0  0
    2.6001   10.4904    0.0000 C   0  0
    1.2988    9.7444    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 F   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
    5.1048    5.6130    0.0000 Cl  0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 13 23  1  0
 23 24  1  0
 24 10  1  0
  9 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11872

> <plate>
PLATE 012

> <well>
E2

> <supplier_cmpd_name>
Flunarizine dihydrochloride

> <ctcr_id>
11074

> <supplier_cmpd_id>
T0806

> <smiles>
Cl.Fc1ccc(cc1)C(N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(F)cc1.Cl

> <pd_targets>
{PMP22,OPRK1,LMNA,NPSR1,KMT2A,MEN1,GMNN,OPRM1,BLM,OPRD1,NFO,CACNA1H,CYP2J2,SCN1A,SCN2A,SCN3A,DRD2,CACNA1I,SKA,CYP2D6,ADRA1A,ADRA1B,CACNA1G,CNR1,KCNK2,MAPT,ADORA3,ADRA2A,ADRA2C,DRD3,SLC6A3,HTR1A,HTR2A,
HRH1,CHRM1,HTR2B,SLC6A2,CHRM4,CACNA1B,CACNA2D1,CACNB1,ADRA1D,ADRA2B,SLC6A4,CHRM3,CHRM5,SIGMAR1,HTR2C,KCNH2,CALM1}

> <pathway_gtopdb>
{"Unclassified protein","Membrane receptor","Other nuclear protein","Epigenetic regulator",Enzyme,"Ion channel","Other cytosolic protein",Transporter,"Family A G protein-coupled receptor",Reader,Hydro
lase,"Voltage-gated ion channel",Kinase,"Cytochrome P450","Electrochemical transporter","Peptide receptor (family A GPCR)",Bromodomain,"Voltage-gated calcium channel","Voltage-gated sodium channel","S
mall molecule receptor (family A GPCR)","Cytochrome P450 family 2","Potassium channels","SLC superfamily of solute carriers","Short peptide receptor (family A GPCR)","Monoamine receptor","Cytochrome P
450 family 2D","Lipid-like ligand receptor (family A GPCR)","Two-pore domain potassium channel","Nucleotide-like receptor (family A GPCR)","SLC06 neurotransmitter transporter family","Voltage-gated po
tassium channel","Opioid receptor","Neuropeptide receptor","Dopamine receptor","Cytochrome P450 2D6","Adrenergic receptor","Cannabinoid receptor","Adenosine receptor","Serotonin receptor","Histamine r
eceptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,Transporters,"Other protein targets","G protein-coupled receptors","Voltage-gated ion channels","Cytochrome P450","SLC superfamily of solute carriers","Sigma receptor
s","Opioid receptors","Neuropeptide S receptor","Voltage-gated calcium channels","CYP2 family: drug metabolising subset","Dopamine receptors",Adrenoceptors,"Voltage-gated sodium channels","Cannabinoid
 receptors","Potassium channels","Adenosine receptors","SLC6 neurotransmitter transporter family","5-Hydroxytryptamine receptors","Histamine receptors","Acetylcholine receptors (muscarinic)","Two P do
main potassium channels","Monoamine transporter subfamily","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Developmental Biology","Gene expression (Transcription)","Cell Cycle",Disease,"Signal Transduction","DNA Repair",Metabolism,"Neuronal System","Muscle contraction","Nervous system development","RNA P
olymerase II Transcription",Mitotic,"Infectious disease","Signaling by GPCR","DNA Double-Strand Break Repair","Biological oxidations","Potassium Channels","Transmission across Chemical Synapses","Diso
rders of transmembrane transporters","Cardiac conduction","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Generic Transcription Pathway","M Phase","Leishmania infection","Mitotic G1 
phase and G1/S transition","GPCR downstream signalling","Homology Directed Repair","GPCR ligand binding","Axon guidance","Phase I - Functionalization of compounds","Tandem pore domain potassium channe
ls","Neurotransmitter receptors and postsynaptic signal transmission","SLC transporter disorders","Neurotransmitter clearance","SARS-CoV Infections","Presynaptic depolarization and calcium channel ope
ning","Phase 3 - rapid repolarisation","Transcriptional Regulation by MECP2","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","G1/S Transition","G alpha (i) signalling events
","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like receptors)","NCAM signaling for neurite out-growth","Cytochrome P450 - arranged by substrate 
type","L1CAM interactions","TWIK related potassium channel (TREK)","Activation of NMDA receptors and postsynaptic events","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Defective S
LC6A2 causes orthostatic intolerance (OI)","Serotonin clearance from the synaptic cleft","Potential therapeutics for SARS","MECP2 regulates neuronal receptors and channels","Mitotic Anaphase","Anti-in
flammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","Opioid Signalling","HDR through Homologous Recombination (HRR)","Peptide ligand-binding recept
ors","NCAM1 interactions","Fatty acids","Amine ligand-binding receptors",Xenobiotics,"Interaction between L1 and Ankyrins","Post NMDA receptor activation events","Nucleotide-like (purinergic) receptor
s","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","G-protein activation","Homologous DNA Pairing and Strand Exchange","Dopamine receptors","CYP2E1 reactio
ns",Adrenoceptors,"Activation of AMPK downstream of NMDARs","Adenosine P1 receptors","Serotonin receptors","Histamine receptors","Muscarinic acetylcholine receptors","CREB1 phosphorylation through NMD
A receptor-mediated activation of RAS signaling","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Ras activation upon Ca2+ influx th
rough NMDA receptor"}

> <broad_targets>
{CACNA1G,CACNA1H,CACNA1I,CALM1,HRH1}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"flunarizine hydrochloride",30484-77-6,30484776,"30484 77 6","Flunarizine 2HCl","Flunarizine HCl",Sibelium,"1-(Bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine dihydrochloride","1(Bis(4fluorophenyl)me
thyl)4cinnamylpiperazine dihydrochloride","1 (Bis(4 fluorophenyl)methyl) 4 cinnamylpiperazine dihydrochloride","Flunarizine (dihydrochloride)",UNII-C111,UNIIC111,"UNII C111",T0806,"Flunarizine dihydro
chloride"}

> <pdid>
PD009365

> <targets>
{"Calcium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{5282407}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 16  0  0  0  0            999 V2000
   12.9003   -0.7504    0.0000 Cl  0  0
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11873

> <plate>
PLATE 012

> <well>
E3

> <supplier_cmpd_name>
Propitocaine hydrochloride

> <ctcr_id>
2267

> <supplier_cmpd_id>
T0796

> <smiles>
Cl.CCCNC(C)C(=O)Nc1ccccc1C

> <pd_targets>
{LMNA,GAA,HPGD,MAPT,SCN1A,SCN2A,SCN3A,SCN10A,SCN11A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,CYP1A2,CHRM1}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Other cytosolic protein","Ion channel","Membrane receptor",Hydrolase,"Voltage-gated ion channel","Cytochrome P450","Family A G protein-coupled receptor","Voltage-gated
 sodium channel","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 1A1","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"3.2.1.- Glycosidases","Eicosanoid turnover","Voltage-gated ion channels","Cytochrome P450","G protein-coupled receptors","Prostaglandin synthases","Voltage-gated sod
ium channels","CYP1 family","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Cell Cycle",Disease,Metabolism,"Neuronal System","Developmental Biology","Signal Transduction",Mitotic,"Diseases of metabolism","Metabolism of lipids","Transmission across Chemical Synapses","Nervou
s system development","Biological oxidations","Signaling by GPCR","M Phase","Diseases of carbohydrate metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptor
s and postsynaptic signal transmission","Axon guidance","Phase I - Functionalization of compounds","GPCR ligand binding","Mitotic Metaphase and Anaphase","Glycogen storage diseases","Biosynthesis of D
HA-derived SPMs","Activation of NMDA receptors and postsynaptic events","L1CAM interactions","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Mitotic Anaphase","G
lycogen storage disease type II (GAA)","Biosynthesis of D-series resolvins","Post NMDA receptor activation events","Interaction between L1 and Ankyrins",Xenobiotics,"Amine ligand-binding receptors","N
uclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors","Initiation of Nuclea
r Envelope (NE) Reformation"}

> <broad_targets>
{SCN5A}

> <broad_moa>
{"local anesthetic"}

> <synonyms>
{2-(Propylamino)-O-Propionotoluididmonohydrochloride,2(Propylamino)OPropionotoluididmonohydrochloride,AKOS026749949,Xylonest,CHEBI:32053,"2-(Propylamino)-o-propionotoluidide hydrochloride","2(Propylam
ino)opropionotoluidide hydrochloride","2-(Propylamino)-o-propionotoluidide monohydrochloride","2(Propylamino)opropionotoluidide monohydrochloride","alpha-Propylamine-2-methyl-propionanilide hydr","alp
haPropylamine2methylpropionanilide hydr",T0796,SAM002264640,1503270,Prestw-199,"Propitocaine hydrochloride",CPD000058506,"PRILOCAINE HYDROCHLORIDE","Prilocaine hydrochloride"}

> <pdid>
PD009832

> <targets>
{}

> <classes>
{"anesthetic (local)"}

> <pubchem_cids>
{68805528,53262280,92163}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    7.5993   -1.6061    0.0000 C   0  0
    8.4849   -2.8168    0.0000 N   0  0
    7.8797   -4.1902    0.0000 C   0  0
    8.7644   -5.4025    0.0000 N   0  0
   10.2567   -5.2435    0.0000 C   0  0
   11.7483   -5.0845    0.0000 N   0  0
    6.3873   -4.3492    0.0000 N   0  0
    5.5026   -3.1368    0.0000 C   0  0
    4.0102   -3.2959    0.0000 C   0  0
    3.1255   -2.0835    0.0000 S   0  0
    1.6332   -2.2426    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  3  0
  3  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 12  2  0
 16 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11874

> <plate>
PLATE 012

> <well>
E4

> <supplier_cmpd_name>
Cimetidine

> <ctcr_id>
3832

> <supplier_cmpd_id>
T0797

> <smiles>
CNC(NC#N)=NCCSCc1nc[nH]c1C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{cimetidine,51481-61-9,51481619,Tagamet,Eureceptor,Tametin,Dyspamet,Ulcedine,Acinil,Cimetag,Tratul,Ulcedin,Acibilin,Gastromet,Cimetum,Edalene,Ulcimet,Ulcomet,Cimal,Ulhys,"Tagamet Hb","Cimetidine Hcl",
"Tagamet Hb 200",SKF-92334,SKF92334,Cimetidina,Ulcomedina,Val,902,S1845,SAM002554892,1500684,Prestw-26,Cimetidine,Cimetidine,CPD001370748,CIMETIDINE}

> <pdid>

> <targets>
{""}

> <classes>
{antiulcer,"Neuronal Signaling"}

> <pubchem_cids>
{2756}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    2.2090   -0.3353    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990    1.7500    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -1.7321    2.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0  1  0  0  0
    2.3308   -3.9672    0.0000 O   0  0
    2.4266   -1.7302    0.0000 C   0  0  1  0  0  0
    2.7095   -0.7710    0.0000 O   0  0
    3.4182   -2.8395    0.0000 C   0  0
    4.8815   -2.5100    0.0000 O   0  0
    2.9720   -4.2725    0.0000 C   0  0
    3.9887   -5.3754    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  3
 16 17  1  0
 17  6  1  0
 17 11  1  0
 17 18  1  1
  8 19  1  0
 19  2  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  6
 21 23  1  0
 23  2  1  0
 23 24  1  6
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11875

> <plate>
PLATE 012

> <well>
E5

> <supplier_cmpd_name>
Triamcinolone

> <ctcr_id>
5578

> <supplier_cmpd_id>
T0798

> <smiles>
C[C@]12C[C@H](O)[C@@]3(F)C(CCC4=CC(=O)C=C[C@]34C)C1C[C@@H](O)[C@]2(O)C(=O)CO

> <pd_targets>
{BLM,CYP3A4,LMNA,HIF1A,NFKB1,TGR,CYP2J2,NR3C1,HSD17B10,PMP22,ABCC1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Other cytosolic protein","Unclassified protein",Transporter,"Cytochrome P450","Nuclear receptor",Oxidoreductase,"Primary active transporter","Cy
tochrome P450 family 3","Nuclear hormone receptor subfamily 3","ATP-binding cassette","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 3 group C","ABCC subfamily","Cytochrome P450 3A4",
"Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","Nuclear hormone receptors","ATP-binding cassette transporter family","CYP3 family","CYP2 family: drug metabolising subset","Steroid hormone receptors
","ABCC subfamily","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"DNA Repair",Metabolism,"Cell Cycle","Cellular responses to external stimuli","Immune System","Gene expression (Transcription)","Developmental Biology","DNA Double-Strand Break Repair","Metabolism of
 lipids",Mitotic,"Cellular responses to stress","Cytokine Signaling in Immune system","Biological oxidations","RNA Polymerase II Transcription","Metabolism of amino acids and derivatives","Nervous sys
tem development","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Cellular response to hypoxia","Signaling by Interleukins","Phase I - Functionalizatio
n of compounds","Generic Transcription Pathway","Branched-chain amino acid catabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Fatty acid metabolism","HDR through Homologous 
Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","In
terleukin-1 family signaling","Cytochrome P450 - arranged by substrate type","FOXO-mediated transcription","Arachidonic acid metabolism","HDR through Homologous Recombination (HRR)","Biosynthesis of m
aresins","Mitotic Anaphase","Interleukin-1 signaling","Fatty acids","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Synthesis of Leukotrienes (LT) and Eoxins (EX)","H
omologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Presynaptic phase of homologous DNA pair
ing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{"9alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione","9alphaFluoro11beta,16alpha,17,21tetrahydroxy1,4pregnadiene3,20dione",Spectrum_000302,Spectrum000302,Spectrum-000302,"Spec
trum 000302",Spectrum2_000949,Spectrum2000949,Spectrum2-000949,"Spectrum2 000949",Spectrum3_001367,Spectrum3001367,Spectrum3-001367,"Spectrum3 001367",Spectrum4_000363,Spectrum4000363,Spectrum4-000363
,"Spectrum4 000363",Spectrum5_001192,Spectrum5001192,Spectrum5-001192,"Spectrum5 001192",BSPBio_002894,BSPBio002894,BSPBio-002894,"BSPBio 002894",KBioGR_000825,KBioGR000825,KBioGR-000825,"KBioGR 00082
5",KBioSS_000782,KBioSS000782,KBioSS-000782,"KBioSS 000782",DivK1c_000340,DivK1c000340,DivK1c-000340,"DivK1c 000340",SPECTRUM1500586,SPBio_00,SPBio00,SPBio-00,"SPBio 00",1500586,TRIAMCINOLONE}

> <pdid>
PD002110

> <targets>
{}

> <classes>
{glucocorticoid}

> <pubchem_cids>
{5702125}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 13  0  0  1  0            999 V2000
   21.6999    0.3750    0.0000 Cl  0  5
   19.1999    0.3750    0.0000 Cl  0  5
    3.9032   -2.2490    0.0000 C   0  0
    2.6031   -1.5008    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0  2  0  0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    3.9000    0.7500    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 N   0  0
    9.0999    0.7500    0.0000 C   0  0  2  0  0  0
    9.1030    2.2508    0.0000 C   0  0
   10.4031    2.9990    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6992    0.7496    0.0000 O   0  0
   16.6999    0.3750    0.0000 H   0  3
   14.1999    0.3750    0.0000 H   0  3
  3  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
M  CHG  4   1  -1   2  -1  17   1  18   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11876

> <plate>
PLATE 012

> <well>
E6

> <supplier_cmpd_name>
Ethambutol dihydrochloride

> <ctcr_id>
6175

> <supplier_cmpd_id>
T0810

> <smiles>
[Cl-].[Cl-].CC[C@H](CO)NCCN[C@H](CC)CO.[H+].[H+]

> <pd_targets>
{LMNA,FFP,ABCC3,EMBC,EMBB,EMBA}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,Transporter,Transferase,"Primary active transporter","ATP-binding cassette","ABCC subfamily"}

> <pathway_chembl>
{Transporters,"ATP-binding cassette transporter family","ABCC subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Mitotic,"Metabolism of lipids","M Phase","Metabolism of steroids","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism","Mitotic Anaphase","Recycling of bile a
cids and salts","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{"Ethambutol 2HCl",1070-11-7,1070117,"1070 11 7",C10H24N2O2.2HCl,22196-75-4,22196754,"22196 75 4",MFCD00216025,Prestwick_208,Prestwick208,Prestwick-208,"Prestwick 208","Ethambutol Hydrochloride,(S)",A
RONIS24117,SCHEMBL9949005,C,Prestw-28,"Ethambutol dihydrochloride"}

> <pdid>
PD003004

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6419929}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    9.5862   -3.2909    0.0000 C   0  0
    8.1609   -2.8234    0.0000 C   0  0
    7.8525   -1.3573    0.0000 N   0  0
    8.8523   -0.2390    0.0000 C   0  0
    8.0978    1.0574    0.0000 C   0  0
    6.6317    0.7404    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
    0.0000    3.0008    0.0000 S   0  0
   -1.2993    3.7504    0.0000 O   0  0
   -0.0007    4.5008    0.0000 O   0  0
    1.2993    3.7521    0.0000 C   0  0
    1.2992    5.2521    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
 18 19  1  0
 19 20  1  0
 14 21  1  0
 21 22  2  0
 21 23  2  0
 21 24  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11877

> <plate>
PLATE 012

> <well>
E7

> <supplier_cmpd_name>
Amisulpride

> <ctcr_id>
2986

> <supplier_cmpd_id>
T0811

> <smiles>
CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)[S](=O)(=O)CC

> <pd_targets>
{TSHR,ALOX15,FFP,LMNA,DRD2,MAPK1,DRD3,ADRA2A,ADRA2B,ADRA2C,HTR2A,HTR2B,HTR7,HTR1A,HTR1B,HTR1D,HTR1E,HTR1F,HTR2C,HTR3A,HTR3B,HTR3C,HTR3D,HTR3E,HTR4,HTR5A,HTR6}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein","Family A G protein-coupled receptor",Oxidoreductase,Transferase,Kinase,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)"
,"Protein Kinase","Glycohormone receptor","Monoamine receptor","CMGC protein kinase group","Dopamine receptor","CMGC protein kinase MAPK family","Adrenergic receptor","Serotonin receptor","CMGC protei
n kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Glycoprotein hormone receptors",Lipoxygenases,"Dopamine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK 
families","5-Hydroxytryptamine receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Disease,Metabolism,"Cell Cycle","Signal Transduction","Immune System","Infectious disease","Metabolism of lipids",Mitotic,"Signaling by GPCR","Innate Immune System","Leishmania infection","Biosynthes
is of specialized proresolving mediators (SPMs)","M Phase","GPCR ligand binding","Toll-like Receptor Cascades","Leishmania parasite growth and survival","Biosynthesis of DPA-derived SPMs","Mitotic Met
aphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Toll Like Receptor 5 (TLR5) Cascade","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","Mi
totic Anaphase","Amine ligand-binding receptors","MyD88 cascade initiated on plasma membrane","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of DPAn-3-derived protectins and r
esolvins","Nuclear Envelope (NE) Reassembly","Dopamine receptors","MAP kinase activation","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated
 by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{DRD2}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{amisulpride,71675-85-9,71675859,Solian,Aminosultopride,Deniban,Amisulprida,"DAN 2163",Amisulpridum,DAN-2163,DAN2163,C17H27N3O4S,"Amisulpride free base",APD421,4-Amino-N-((1-ethyl-2-pyrrolidinyl)methy
l)-5-(ethylsulfonyl)-o-anisamide,4AminoN((1ethyl2pyrrolidinyl)methyl)5(ethylsulfonyl)oanisamide,CHEBI:64045,"71675-85-9 (fr","71675859 (fr",T0811,S1280,SAM001246639,Prestw-1217,Amisulpride,CPD00044930
9}

> <pdid>
PD001316

> <targets>
{Dopamine Receptor}

> <classes>
{Neuronal Signaling,GPCR/G Protein}

> <pubchem_cids>
{2159}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 20  0  0  0  0            999 V2000
   15.4003   -1.1250    0.0000 H   0  3
   12.9003   -1.1250    0.0000 Cl  0  5
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0964    0.7636    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 12  1  0
 21 16  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11878

> <plate>
PLATE 012

> <well>
E8

> <supplier_cmpd_name>
Propranolol hydrochloride

> <ctcr_id>
2371

> <supplier_cmpd_id>
T0812

> <smiles>
[H+].[Cl-].CC(C)NCC(O)COc1cccc2ccccc12

> <pd_targets>
{PMP22,LMNA,AMPC,APEX1,NFKB1,LEF,HTR2A,HTR2B,HTR2C,CYP2D6,CHRM1,THPO,CYP1A2,HSD17B10,ADRB2,SLC10A1,SCN1A,SCN2A,SCN3A,TSHR,HTR1B,CACNA1S,HTR1A,MAPK1,TP53,CYP2D26,CYP2C9,ADRB1,SLC6A4,SIGMAR1,CACNA1C,CAC
NA1D,ALDH1A1,ADRB3,KCNH2,DRD2,ABCB1,SCN5A,HTR6,SLC22A1,HTR5A,HTR1D,HTR1F}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein",Enzyme,"Other cytosolic protein","Membrane receptor",Transporter,"Ion channel","Transcription factor",Hydrolase,Protease,"Family A G protein-coupled rec
eptor","Cytochrome P450",Oxidoreductase,"Electrochemical transporter","Voltage-gated ion channel",Kinase,"Metallo protease","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Cytoch
rome P450 family 1","SLC superfamily of solute carriers","Voltage-gated sodium channel","Peptide receptor (family A GPCR)","Voltage-gated calcium channel","Protein Kinase","Metallo protease MAE clan",
"Monoamine receptor","Cytochrome P450 family 2D","Cytochrome P450 family 1A","SLC10 family of sodium-bile acid co-transporters","Glycohormone receptor","CMGC protein kinase group","Cytochrome P450 fam
ily 2C","SLC06 neurotransmitter transporter family","Metallo protease M34 family","Serotonin receptor","Cytochrome P450 2D6","Acetylcholine receptor","Cytochrome P450 1A1","Adrenergic receptor","CMGC 
protein kinase MAPK family","Cytochrome P450 2D2","Cytochrome P450 2C9","CMGC protein kinase ERK1","Primary active transporter","Potassium channels","ATP-binding cassette","Voltage-gated potassium cha
nnel","ABCB subfamily","SLC22 family of organic cation and anion transporters","Dopamine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Other protein targets","Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Voltage-gated ion channels","Kinases (EC 2.
7.x.x)","Sigma receptors","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","CYP1 family",Adrenoceptors,"SLC10 family of sodium-bile acid co-transporters","Glycoprotein ho
rmone receptors","5-Hydroxytryptamine receptors","Voltage-gated calcium channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC6 neurotransmitter transporter family","Mitogen-activated protein 
kinases (MAP kinases)","Monoamine transporter subfamily","ERK subfamily","ATP-binding cassette transporter family","Potassium channels","Dopamine receptors","ABCB subfamily","Voltage-gated sodium chan
nels","SLC22 family of organic cation and anion transporters","Voltage-gated potassium channels","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","DNA Repair","Immune System",Disease,Metabolism,"Signal Transduction",Hemostasis,"Neuronal System","Nervous system development",Mitotic,"Base Excision Repair","Cy
tokine Signaling in Immune system","Infectious disease","Biological oxidations","Signaling by GPCR","Platelet activation","signaling and aggregation","Metabolism of amino acids and derivatives","Metab
olism of lipids","Innate Immune System","Cell Cycle Checkpoints","Transmission across Chemical Synapses","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Resolution of Abasi
c Sites (AP sites)","Signaling by Interleukins","Uptake and actions of bacterial toxins","Phase I - Functionalization of compounds","GPCR ligand binding","Platelet Aggregation (Plug Formation)","Branc
hed-chain amino acid catabolism","Leishmania infection","Metabolism of steroids","Axon guidance","Toll-like Receptor Cascades","G1/S DNA Damage Checkpoints","Neurotransmitter clearance","SARS-CoV Infe
ctions","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Interleukin-1 family signaling","Uptake and function of anthrax toxins","Cytoch
rome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","NCAM signaling for neurite out-growth","T
oll Like Receptor 5 (TLR5) Cascade","p53-Dependent G1/S DNA damage checkpoint","Serotonin clearance from the synaptic cleft","Potential therapeutics for SARS","Mitotic Anaphase","PCNA-Dependent Long P
atch Base Excision Repair","Interleukin-1 signaling",Xenobiotics,"Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Recycling of bile acids and salt
s","NCAM1 interactions","MyD88 cascade initiated on plasma membrane","p53-Dependent G1 DNA Damage Response","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","CYP2E1 reac
tions","Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors","MAP kina
se activation","Stabilization of p53","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MA
PK targets","ERKs are inactivated","Muscle contraction","Transport of small molecules","Cardiac conduction","Abacavir transport and metabolism","SLC-mediated transmembrane transport","Phase 3 - rapid 
repolarisation","Abacavir transmembrane transport","Transport of bile salts and organic acids","metal ions and amine compounds","Ethanol oxidation","L1CAM interactions","Organic cation/anion/zwitterio
n transport","Interaction between L1 and Ankyrins","Organic cation transport","Dopamine receptors"}

> <broad_targets>
{ADRB1,HTR1A,HTR5A,SLC10A1}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{Efektolol,"Propranolol hydrochloride",318-98-9,318989,"Propranolol Hcl",Inderal,Anaprilin,Avlocardyl,Berkolol,Caridolol,Herzbase,Inderalici,Naprilin,Pronovan,Dociton,Ikopal,Kemi,"Beta Neg","InnoPran 
XL","Propranolol chloride",Inderex,propranol,S4076,SAM002699889,1505270,"Propranolol HCl",CPD000059167,"PROPRANOLOL HYDROCHLORIDE (+/-)"}

> <pdid>
PD007086

> <targets>
{"Adrenergic Receptor"}

> <classes>
{antianginal,"GPCR & G Protein",antiarrhythmic,antihypertensive}

> <pubchem_cids>
{62882,43834240,25137848}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
   -0.4763   -3.7706    0.0000 C   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.8949   -4.8318    0.0000 O   0  0
    1.6281   -2.2462    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 N   0  0
    0.0000    2.7742    0.0000 S   0  0
   -1.2993    3.5238    0.0000 N   0  0
    1.2985    3.5251    0.0000 O   0  0
   -0.0007    4.2742    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  2  0
  7 10  1  0
 10 11  1  0
 10 12  2  0
 10 13  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11879

> <plate>
PLATE 012

> <well>
E9

> <supplier_cmpd_name>
Acetazolamide

> <ctcr_id>
5697

> <supplier_cmpd_id>
T0813

> <smiles>
CC(=O)Nc1sc(nn1)[S](N)(=O)=O

> <pd_targets>
{CA1,CA2,CA9,CA12,CA14,CA3,CA7,CA4,CA15,NCE103,MTCA1,CA13,THRB,CAH1,CA11,CA6,CA5A,MTCA2,CA5B,AMPC,BLM,CAH2,CYNT,CTS1,KMT2A,MEN1,1272966,AQP1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Epigenetic regulator",Lyase,"Nuclear receptor",Hydrolase,Reader,"Nuclear hormone receptor subfamily 1",Bromodomain,"Nuclear hormone receptor subf
amily 1 group A","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Carbonic anhydrases","Nuclear hormone receptors","Other ion channels","1A. Thyroid hormone receptors",Aquaporins}

> <pathway_reactome>
{"Immune System","Transport of small molecules","Cellular responses to external stimuli",Metabolism,"Metabolism of proteins","DNA Repair","Cytokine Signaling in Immune system","O2/CO2 exchange in eryt
hrocytes","Cellular responses to stress","Reversible hydration of carbon dioxide","Post-translational protein modification","DNA Double-Strand Break Repair","Aquaporin-mediated transport","Signaling b
y Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia",SUMOylation,"Homology Directed Repair","Passive transport by Aquaporins","Interleukin-12 family 
signaling","Regulation of gene expression by Hypoxia-inducible Factor","SUMO E3 ligases SUMOylate target proteins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interl
eukin-12 signaling","SUMOylation of intracellular receptors","HDR through Homologous Recombination (HRR)","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Homologo
us DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{AQP1,CA1,CA12,CA14,CA2,CA3,CA4,CA7}

> <broad_moa>
{"carbonic anhydrase inhibitor"}

> <synonyms>
{RESTW,acetazolamide,59-66-5,59665,Diamox,"N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide","N(5Sulfamoyl1,3,4thiadiazol2yl)acetamide",Acetazolamid,Acetamox,Diacarb,Glaupax,Defiltran,Nephramide,Cidamex
,Diluran,Edemox,Dehydratin,Diuramid,Diutazol,Duiramid,Eumicton,Natrionex,Nephramid,Phonurit,Diakarb,Do,T0813,SAM002554883,1500102,Prestw-3,Acetazolamide,CPD000058394,ACETAZOLAMIDE}

> <pdid>
PD002491

> <targets>
{Autophagy,Carbonic Anhydrase}

> <classes>
{carbonic anhydrase inhibitor,antiglaucoma,diuretic,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{1986}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 26  0  0  1  0            999 V2000
    9.7271    3.0702    0.0000 O   0  0
    7.2271    3.0702    0.0000 O   0  0
    4.7271    3.0702    0.0000 O   0  0
    0.1194   -2.3933    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    2.2393   -0.8534    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.8796    2.4866    0.0000 C   0  0
   -0.6484    3.9634    0.0000 N   0  0
   -1.8159    4.9065    0.0000 C   0  0
   -3.2155    4.3669    0.0000 O   0  0
   -1.5838    6.3893    0.0000 C   0  0
   -0.1842    6.9289    0.0000 N   0  0
   -2.7513    7.3324    0.0000 C   0  0
   -2.5215    8.8147    0.0000 C   0  0
   -3.6902    9.7549    0.0000 C   0  0
   -5.0888    9.2129    0.0000 C   0  0
   -5.3187    7.7306    0.0000 C   0  0
   -4.1500    6.7904    0.0000 C   0  0
   -2.0931    1.6049    0.0000 C   0  0
   -3.5746    1.8395    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -3.1247   -2.0836    0.0000 O   0  0
   -1.0255   -3.6140    0.0000 O   0  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
  9 21  1  0
 21 22  2  0
 21 23  1  0
 23  8  1  0
 23 24  1  0
 24  5  1  0
 24 25  1  6
 25 26  2  0
 25 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11880

> <plate>
PLATE 012

> <well>
E10

> <supplier_cmpd_name>
Ampicillin Trihydrate

> <ctcr_id>
7920

> <supplier_cmpd_id>
T0814

> <smiles>
O.O.O.CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2[C@H]1C(=O)O

> <pd_targets>
{LMNA,KDM4E,TSHR,TDP1,RECQL,POLB,TEK,HPGD,AMPC,HSD17B10,ALD,GLA,BLM,CYP3A4,SLC15A2,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PBP2A,PBP1B,PBP3,PBPA,PENA}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator","Membrane receptor",Enzyme,Transporter,"Unclassified protein",Eraser,"Family A G protein-coupled receptor",Hydrolase,Protease,Kinase,Oxidoreductase,"Cyt
ochrome P450","Electrochemical transporter","Lysine demethylase","Peptide receptor (family A GPCR)","Cysteine protease","Protein Kinase","Cytochrome P450 family 3","SLC superfamily of solute carriers"
,"Serine protease","Jumonji domain-containing","Glycohormone receptor","Cysteine protease CA clan","TK protein kinase group","Cytochrome P450 family 3A","SLC15 family of peptide transporters","Serine 
protease SE clan","Cysteine protease C1A family","Tyrosine protein kinase Tie family","Cytochrome P450 3A4","Serine protease S11 family"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","G protein-coupled receptors","Catalytic receptors","Eicosanoid turnover","Cytochrome P450","SLC superfamily of solute carriers","1.14.11.
- Histone demethylases","Glycoprotein hormone receptors","Receptor kinases","Prostaglandin synthases","CYP3 family","SLC15 family of peptide transporters","TK: Tyrosine kinase","Receptor tyrosine kina
ses (RTKs)","Type XII RTKs: TIE family of angiopoietin receptors"}

> <pathway_reactome>
{"Cell Cycle",Disease,"DNA Repair","Signal Transduction",Metabolism,"Transport of small molecules",Mitotic,"Infectious disease","DNA Double-Strand Break Repair","Base Excision Repair","MAPK family sig
naling cascades","Metabolism of lipids","Metabolism of amino acids and derivatives","SLC-mediated transmembrane transport","M Phase","Leishmania infection","Nonhomologous End-Joining (NHEJ)","Resoluti
on of Abasic Sites (AP sites)","MAPK1/MAPK3 signaling","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Sphingolipid metabolism","Homology Directed R
epair","Transport of inorganic cations/anions and amino acids/oligopeptides","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Resolution of AP sites via the multiple-nucleot
ide patch replacement pathway","RAF/MAP kinase cascade","Biosynthesis of DHA-derived SPMs","Glycosphingolipid metabolism","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)",
"Proton/oligopeptide cotransporters","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","PCNA-Dependent Long Patch Base Excision Repair","Biosynthesis of D-series 
resolvins","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing 
and Strand Exchange","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{W219370,SW219370-1,SW2193701,A16408,S4148,"Ampicillin Trihydrate"}

> <pdid>
PD010040

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{135391157}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -5.1983    3.0012    0.0000 O   0  0
   -3.9005    5.2525    0.0000 N   0  0
   -5.2002    6.0029    0.0000 C   0  0
   -5.2034    7.5029    0.0000 C   0  0
   -6.5039    8.2502    0.0000 C   0  0
   -7.8014    7.4976    0.0000 C   0  0
   -7.7984    5.9976    0.0000 C   0  0
   -6.4978    5.2502    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11881

> <plate>
PLATE 012

> <well>
E11

> <supplier_cmpd_name>
Acetohexamide

> <ctcr_id>
1426

> <supplier_cmpd_id>
T0816

> <smiles>
CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2

> <pd_targets>
{LMNA,TSHR,THRB,BLM,ALDH1A1,CHRM1,AMPC,ABCC8,KCNJ11,KCNJ1}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor","Transcription factor",Enzyme,"Ion channel","Family A G protein-coupled receptor","Nuclear receptor",Oxidoreductase,Hydrolase,"Voltage-gated ion channel","
Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Potassium channels","Glycohormone receptor","Nuclear hormone receptor subfamily 1 gr
oup A","Monoamine receptor","Inwardly rectifying potassium channel","Nuclear hormone receptor subfamily 1 group A member 2","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Nuclear hormone receptors","Voltage-gated ion channels","Glycoprotein hormone receptors","1A. Thyroid hormone receptors","Acetylcholine recepto
rs (muscarinic)","Potassium channels","Inwardly rectifying potassium channels"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Metabolism of proteins","DNA Repair",Metabolism,"Signal Transduction","Neuronal System",Mitotic,"Infectious disease","Post-translational protein modification","DNA Double-Strand
 Break Repair","Biological oxidations","Signaling by GPCR","Potassium Channels","M Phase","Leishmania infection",SUMOylation,"Homology Directed Repair","Phase I - Functionalization of compounds","GPCR
 ligand binding","Inwardly rectifying K+ channels","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","SUMO E3 ligases SUMOylate target proteins","HDR through Homologous Recomb
ination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Potassium transport channels","Mitotic Anaphase","Anti-inflammatory response favouring Leish
mania parasite infection","SUMOylation of intracellular receptors","HDR through Homologous Recombination (HRR)","Amine ligand-binding receptors","Nuclear Envelope (NE) Reassembly","ADORA2B mediated an
ti-inflammatory cytokines production","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologo
us DNA pairing and strand exchange"}

> <broad_targets>
{ABCC8,KCNJ1,KCNJ10,KCNJ11}

> <broad_moa>
{"ATP channel blocker"}

> <synonyms>
{acetohexamide,968-81-0,968810,Dymelor,Acetohexamid,Gamadiabet,Dimelor,Hypoglicil,Metaglucina,Tsiklamid,Dimelin,Minoral,Ordimel,Acetohexamida,Acetohexamidum,1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea
,1(4acetylphenyl)sulfonyl3cyclohexylurea,N-(p-Acetylphenylsulfonyl)-N'-cyclohexylurea,N(pAcetylphenylsulfonyl)N'cyclohexylurea,1-(,1(,T0816,1505425,Prestw-55,Acetohexamide,ACETOHEXAMIDE}

> <pdid>
PD000420

> <targets>
{Others}

> <classes>
{antidiabetic,Others}

> <pubchem_cids>
{1989}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -0.0072    7.5009    0.0000 F   0  0
    1.2954    5.2529    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    2.5981    3.0050    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11882

> <plate>
PLATE 012

> <well>
F2

> <supplier_cmpd_name>
Diflunisal

> <ctcr_id>
4014

> <supplier_cmpd_id>
T0808

> <smiles>
OC(=O)c1cc(ccc1O)c2ccc(F)cc2F

> <pd_targets>
{DHFR,LMNA,KDM4E,ALDH1A1,CA2,HSD17B10,KMT2A,MEN1,SLC12A5,TTR,CA1,ALB,HIF1A,ALD,HPGD,PTGS2,RORC,SLC22A6,PTGS1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Epigenetic regulator",Transporter,"Secreted protein","Transcription factor",Oxidoreductase,Eraser,Lyase,Reader,"Electrochemical transporter","Nuclear receptor","Lysine
 demethylase",Bromodomain,"SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1","Jumonji domain-containing","SLC12 family of cation-coupled chloride transporters","Nuclear hormon
e receptor subfamily 1 group F","SLC22 family of organic cation and anion transporters","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Transporters,"Other protein targets",Receptors,"1.-.-.- Oxidoreductases","Chromatin modifying enzymes","Carbonic anhydrases","SLC superfamily of solute carriers",Transthyretin,"Eicosanoid tur
nover","Nuclear hormone receptors","1.14.11.- Histone demethylases","SLC12 family of cation-coupled chloride transporters","Prostaglandin synthases",Cyclooxygenase,"1F. Retinoic acid-related orphans",
"SLC22 family of organic cation and anion transporters","Organic anion transporters (OATs)"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Transport of small molecules","Signal Transduction","Immune System","Cellular responses to external stimuli","Gene expression (Transcription)",Mitotic,"Biological oxidations"
,"O2/CO2 exchange in erythrocytes","Metabolism of amino acids and derivatives","SLC-mediated transmembrane transport","Signaling by GPCR","Cytokine Signaling in Immune system","Metabolism of lipids","
Cellular responses to stress","RNA Polymerase II Transcription","Mitotic G1 phase and G1/S transition","M Phase","Phase I - Functionalization of compounds","Erythrocytes take up carbon dioxide and rel
ease oxygen","Branched-chain amino acid catabolism","Transport of inorganic cations/anions and amino acids/oligopeptides","GPCR downstream signalling","Signaling by Interleukins","Metabolism of steroi
ds","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","Transport of bile salts and organic acids","metal ions and amine compoun
ds","Fatty acid metabolism","G1/S Transition","Mitotic Metaphase and Anaphase","Ethanol oxidation","Cation-coupled Chloride cotransporters","G alpha (i) signalling events","Interleukin-12 family signa
ling","Bile acid and bile salt metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Transcripti
onal regulation by RUNX3","Organic cation/anion/zwitterion transport","Arachidonic acid metabolism","G1/S-Specific Transcription","Mitotic Anaphase","Visual phototransduction","Interleukin-12 signalin
g","Recycling of bile acids and salts","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3 SPMs","RUNX3 Regulates Immune Response and Cell Migration","Organic anion transport","Synthesis of P
rostaglandins (PG) and Thromboxanes (TX)","Nuclear Envelope (NE) Reassembly","The canonical retinoid cycle in rods (twilight vision)","Gene and protein expression by JAK-STAT signaling after Interleuk
in-12 stimulation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"prostanoid receptor antagonist"}

> <synonyms>
{22494-42-4,22494424,Dolobid,Dolobis,Fluniget,Flovacil,Fluodonil,Adomal,Flustar,"5-(2,4-Difluorophenyl)salicylic acid","5(2,4Difluorophenyl)salicylic acid",MK-647,MK647,"5-(2,4-difluorophenyl)-2-hydro
xybenzoic acid","5(2,4difluorophenyl)2hydroxybenzoic acid",Diflusinal,"MK 647","2-(Hydroxy)-5-(2,4-difluorophenyl)benzoic acid","2(Hydroxy)5(2,4difluorophenyl)benzoic acid",T0808,SAM002554896,1500245,
Prestw-39,Diflunisal,CPD000058723,DIFLUNISAL}

> <pdid>
PD002374

> <targets>
{}

> <classes>
{analgesic,antiinflammatory}

> <pubchem_cids>
{3059}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 C   0  0
    5.1932    3.0131    0.0000 O   0  0
    3.8863    5.2585    0.0000 C   0  0
    5.1828    6.0130    0.0000 C   0  0
    5.1775    7.5130    0.0000 C   0  0
    3.8759    8.2585    0.0000 C   0  0
    2.5795    7.5040    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    1.2883    5.2495    0.0000 O   0  0
    1.2934    3.7495    0.0000 C   0  0
    0.4291    3.2465    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    2.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15  5  1  0
 15 16  2  0
  3 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25  2  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11883

> <plate>
PLATE 012

> <well>
F3

> <supplier_cmpd_name>
Dicumarol

> <ctcr_id>
4134

> <supplier_cmpd_id>
T0809

> <smiles>
OC1=C(CC2=C(O)c3ccccc3OC2=O)C(=O)Oc4ccccc14

> <pd_targets>
{CYP2C9,NQO1,CYP2C19,CYP1A2,FABI,PCSK7,KMT2A,MEN1,AKR1B1,ALDH1A1,CYP3A4,HISG,TP53,ABCB11,LMNA,TSHR,MAPK1,GPR35,VKORC1,CRYZ}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor",Transporter,"Other nuclear protein","Membrane receptor","Cytochrome P450",Oxidoreductase,Protease,Reader,Transferase,"Primary active transporter",
"Family A G protein-coupled receptor",Hydrolase,Kinase,"Cytochrome P450 family 2","Cytochrome P450 family 1","Serine protease",Bromodomain,"Cytochrome P450 family 3","ATP-binding cassette","Peptide re
ceptor (family A GPCR)","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Serine protease SB clan","Cytochrome P450 family 3A","ABCB s
ubfamily","Glycohormone receptor","CMGC protein kinase group","Carboxylic acid receptor","Cytochrome P450 2C9","Cytochrome P450 2C19","Cytochrome P450 1A1","Serine protease S8B subfamily","Cytochrome 
P450 3A4","CMGC protein kinase MAPK family","Kynurenic acid receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Cytochrome P450","Peptidases and proteinases","1.-.-.- Oxidoreductases","ATP-binding cassette transporter family","G protein-coupled receptors","Kinases (EC 2.7.x.x)",
"CYP2 family: drug metabolising subset","CYP1 family","SB: Serine (S) Peptidases","CYP3 family","ABCB subfamily","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Orpha
n and other 7TM receptors","S8: Subtilisin","Mitogen-activated protein kinases (MAP kinases)","Class A Orphans","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Immune System","Signal Transduction","Biological oxidations","Metabolism of amino acids and derivatives","Metabolism of lipids","Cell Cycle Checkpoints",Mitotic,"Infe
ctious disease","Innate Immune System","Signaling by GPCR","Metabolism of vitamins and cofactors","Phase I - Functionalization of compounds","Metabolism of polyamines","Metabolism of steroids","Biosyn
thesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpoints","M Phase","Leishmania infection","Toll-like Receptor Cascades","GPCR ligand binding","Metabolism of fat-soluble vitam
ins","Cytochrome P450 - arranged by substrate type","Regulation of ornithine decarboxylase (ODC)","Metabolism of steroid hormones","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","p53-Dependent
 G1/S DNA damage checkpoint","Bile acid and bile salt metabolism","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin
-like receptors)","Metabolism of vitamin K",Xenobiotics,"Pregnenolone biosynthesis","Biosynthesis of maresins","p53-Dependent G1 DNA Damage Response","Synthesis of bile acids and bile salts","Mitotic 
Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated b
y CYP1A2","Biosynthesis of maresin-like SPMs","Stabilization of p53","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-in
flammatory cytokines production","MAP kinase activation","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by M
AP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CRYZ,NQO1,VKORC1}

> <broad_moa>
{"NADPH inhibitor"}

> <synonyms>
{RESTW78,dicumarol,dicoumarol,66-76-2,66762,Bishydroxycoumarin,dicoumarin,melitoxin,bis-hydroxycoumarin,bishydroxycoumarin,Antitrombosin,Baracoumin,Dicoumal,Dicumarine,Acadyl,Acavyl,Dicuman,Dicumol,Tr
ombosan,Dufalone,Kumoran,Temparin,Cumid,Cuma,"Dicumaol R",3,3'-Methylenebis(4,3'Methylenebis(4,T0809,1500239,Prestw-785,Dicumarol,DICUMAROL}

> <pdid>
PD002380

> <targets>
{PDHK}

> <classes>
{anticoagulant,Metabolic Enzyme/Protease}

> <pubchem_cids>
{54676038}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 17  0  0  0  0            999 V2000
   21.8999    0.3750    0.0000 Br  0  5
   19.3999    0.3750    0.0000 Br  0  5
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    1.3000    2.2500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 N   0  3
   16.8992    0.7496    0.0000 C   0  0
   15.5999   -1.5000    0.0000 C   0  0
   16.8988   -0.7502    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
M  CHG  4   1  -1   2  -1   4   1  17   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11884

> <plate>
PLATE 012

> <well>
F4

> <supplier_cmpd_name>
Decamethonium bromide

> <ctcr_id>
4663

> <supplier_cmpd_id>
T0818

> <smiles>
[Br-].[Br-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C

> <pd_targets>
{NFKB1,ACHE,CHRM1,HSD17B10,LMNA,CHRM2,CHRNA4,HRH3,KDM4E,CHRNB2,APEX1,CHRNA2,CHRNA1,CHRNB1,CHRND,CHRNE,CHRNG}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Membrane receptor","Other nuclear protein","Ion channel","Epigenetic regulator",Hydrolase,"Family A G protein-coupled receptor",Oxidoreductase,"Ligand-gated ion chan
nel",Eraser,"Small molecule receptor (family A GPCR)","Nicotinic acetylcholine receptor","Lysine demethylase","Monoamine receptor","Nicotinic acetylcholine receptor alpha subunit","Jumonji domain-cont
aining","Acetylcholine receptor","Histamine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Acetylcholine turnover","G protein-coupled receptors","Ligand-gated ion channels","Chromatin modifying enzymes","Acetylcholine receptors (muscarinic)","Nicotinic ace
tylcholine receptors","Histamine receptors","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Immune System",Metabolism,"Signal Transduction","Cell Cycle","Neuronal System","DNA Repair","Cytokine Signaling in Immune system","Metabolism of lipids","Signaling by GPCR","Metabolism of amino acid
s and derivatives",Mitotic,"Transmission across Chemical Synapses","Base Excision Repair","Signaling by Interleukins","Phospholipid metabolism","GPCR ligand binding","Branched-chain amino acid catabol
ism","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Resolution of Abasic Sites (AP sites)","Interleukin-1 family signaling","Glycerophospholipid biosynthesis","Class A/1 
(Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase","Acetylcholine binding and downstream events","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Interleukin-1
 signaling","Synthesis of PC","Amine ligand-binding receptors","Mitotic Anaphase","Postsynaptic nicotinic acetylcholine receptors","PCNA-Dependent Long Patch Base Excision Repair","MAP3K8 (TPL2)-depen
dent MAPK1/3 activation","Muscarinic acetylcholine receptors","Nuclear Envelope (NE) Reassembly","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Histamine receptors","Initia
tion of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CHRNA2,CHRNA3,CHRNA4,CHRNA6}

> <broad_moa>
{"cholinergic receptor antagonist"}

> <synonyms>
{"DECAMETHONIUM BROMIDE",541-22-0,541220,"Decamethonium dibromide","Decamethonium (Bromide)",Syncurine,Decacuran,"Decamethylene bis(trimethylammonium bromide)",UNII-55C6RK944K,UNII55C6RK944K,"Decameth
onium  bromide","Decamethylenebis(trimethylammonium br",T0818,S4072,1505991,Prestw-968,"Decamethonium bromide","Decamethonium Bromide"}

> <pdid>
PD004518

> <targets>
{AChR,nAChR}

> <classes>
{neuromuscular blocker,Neuronal Signaling,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{10921}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 35  0  0  0  0            999 V2000
    1.9438   -6.2113    0.0000 C   0  0
    0.7315   -5.3280    0.0000 C   0  0
   -0.6572   -5.8951    0.0000 C   0  0
    2.0426   -4.5993    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2212   -2.3711    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0
   -0.3667   -4.3062    0.0000 O   0  0
    0.3660   -4.4677    0.0000 C   0  0
    1.2564   -4.9229    0.0000 O   0  0
   -1.0967   -4.8038    0.0000 C   0  0
   -1.5376   -6.2375    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  3
 16 17  1  0
 17 11  1  0
 17 18  1  0
 17 19  1  0
 19  8  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24  7  1  0
 24 25  1  0
 24 26  1  0
 26  5  1  0
 26 27  1  0
 27  2  1  0
 26 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11885

> <plate>
PLATE 012

> <well>
F5

> <supplier_cmpd_name>
Triamcinolone acetonide

> <ctcr_id>
25

> <supplier_cmpd_id>
T0820

> <smiles>
CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO

> <pd_targets>
{RORC,HIF1A,PGR,NR3C1,LMNA,AMPC}

> <pathway_gtopdb>
{"Transcription factor","Other nuclear protein",Enzyme,"Nuclear receptor",Hydrolase,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1 
group F","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfam
ily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cellular responses to external stimuli","Cell Cycle","RNA Polymerase II Transcription","Cellular responses to stress",Mitotic,"Generic Transcription Pathway","Cellu
lar response to hypoxia","M Phase","Transcriptional regulation by RUNX3","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","FOXO-mediated transcription","Mitotic Metaphase and
 Anaphase","RUNX3 Regulates Immune Response and Cell Migration","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","
Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{NR3C1,SERPINA6}

> <broad_moa>
{"glucocorticoid receptor agonist",immunosuppressant}

> <synonyms>
{Kenalog,Extracort,Acetospan,Kenalone,Nasacort,Vetalog,Kenacort-A,KenacortA,"Kenacort A","Triamonide 40","Triamsinolone acetonide","Triamcinolone Acetonide-D6","Triamcinolone AcetonideD6","Triamcinolo
ne Acetonide D6",TAC-3,TAC3,"TAC 3",MLS002638825,Ftorocort,Volonimat,"Ledercort cream","Panolog ointment","Mytrex (Salt/Mix",T0820,S1628,"Triamcinolone acetonide","Triamcinolone Acetonide"}

> <pdid>
PD002109

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{633097}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 17  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.6901   -3.0050    0.0000 O   0  0
    8.9894   -2.2554    0.0000 P   0  0
    8.9894   -0.7554    0.0000 O   0  0
    8.9894   -3.7554    0.0000 O   0  0
   10.2887   -3.0050    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11886

> <plate>
PLATE 012

> <well>
F6

> <supplier_cmpd_name>
Iproniazid Phosphate

> <ctcr_id>
2330

> <supplier_cmpd_id>
T0821

> <smiles>
CC(C)NNC(=O)c1ccncc1.O[P](O)(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW17,"Iproniazid phosphate",305-33-9,305339,"Iproniazide phosphate","N'-Isopropylisonicotinohydrazide phosphate","N'Isopropylisonicotinohydrazide phosphate","Isoproniazid phosphate","Marsilid phos
phate","Iproniazid (phosphate)","Iproniazid dihydrogen phosphate",UNII-8DE00V62TV,UNII8DE00V62TV,1-Isonicotinyl-2-isop,1Isonicotinyl2isop,T0821,Prestw-176,"Iproniazid Phosphate"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{9367}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    3.6547   -7.2645    0.0000 N   0  0
    2.1626   -7.4186    0.0000 C   0  0
    1.5505   -8.7881    0.0000 O   0  0
    1.2830   -6.2026    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 S   0  0
   -0.7500   -1.0323    0.0000 S   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11887

> <plate>
PLATE 012

> <well>
F7

> <supplier_cmpd_name>
Thioctamide

> <ctcr_id>
2410

> <supplier_cmpd_id>
T0823

> <smiles>
NC(=O)CCCCC1CCSS1

> <pd_targets>
{KMT2A}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","RUNX1 regulates genes involved in megakaryocyte differentiat
ion and platelet function"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{lipoamide,Thioctamide,940-69-2,940692,"thioctic acid amide","5-(1,2-Dithiolan-3-yl)pentanamide","5(1,2Dithiolan3yl)pentanamide","Vitamin N","alpha-Lipoic acid amide","alphaLipoic acid amide",3206-73-
3,3206733,"dl-6,8-Thioctamide","dl6,8Thioctamide",Lipamide,Lipoacin,Lipoamid,Lipozyme,DL-lipoamide,DLlipoamide,(+/-)-alpha-Lipoamide,(+/)alphaLipoamide,Thioctamid,1,2-,2,T0823,1505740,LIPOAMIDE}

> <pdid>
PD000306

> <targets>
{Endogenous Metabolite}

> <classes>
{hepatoprotectant,Metabolic Enzyme/Protease}

> <pubchem_cids>
{863}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 S   0  0
   -1.3164   -2.2191    0.0000 O   0  0
    1.3163   -2.2193    0.0000 O   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    4.0312    5.2379    0.0000 S   0  0
    5.4984    5.5498    0.0000 C   0  0
    6.1085    6.9201    0.0000 C   0  0
    6.2484    4.2507    0.0000 C   0  0
    5.2447    3.1360    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
 12 14  2  0
  3 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 18  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11888

> <plate>
PLATE 012

> <well>
F8

> <supplier_cmpd_name>
Meloxicam

> <ctcr_id>
6694

> <supplier_cmpd_id>
T0826

> <smiles>
CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3sc(C)cn3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{meloxicam,71125-38-7,71125387,Mobic,Metacam,Movalis,Mobicox,"Meloxicam (Mobic)",Mobec,Movatec,Parocin,"Meloxicamum (Latin)","UH-AC 62XX","UHAC 62XX",Meloxicamum,UNII-VG2QF83CGL,UNIIVG2QF83CGL,UHAC-62
XX,UHAC62XX,C14H13N3O4S2,VG2QF83CGL,CHEMBL599,MLS000028587,CHEBI:6741,MFCD00868752,NCGC0,T0826,SAM002589991,Prestw-369,Meloxicam,CPD000718800}

> <pdid>
PD001257

> <targets>
{Apoptosis,Autophagy,COX}

> <classes>
{Apoptosis,Autophagy,Immunology/Inflammation}

> <pubchem_cids>
{54677470}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 39  0  0  0  0            999 V2000
    6.3990    0.1833    0.0000 Na  0  3
    3.8716   -8.2615    0.0000 N   0  0
    2.5765   -7.5048    0.0000 C   0  0
    1.2738   -8.2484    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  3
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.0479    2.0470    0.0000 C   0  0
   -3.4910    2.4366    0.0000 N   0  0
   -3.8776    3.8868    0.0000 C   0  0
   -2.8152    4.9458    0.0000 O   0  0
   -5.3265    4.2780    0.0000 C   0  0
   -5.7131    5.7282    0.0000 C   0  0
   -7.1607    6.1213    0.0000 C   0  0
   -7.5442    7.5714    0.0000 C   0  0
   -6.4800    8.6286    0.0000 C   0  0
   -5.0324    8.2356    0.0000 C   0  0
   -4.6490    6.7854    0.0000 C   0  0
   -6.3873    3.2162    0.0000 S   0  0
   -7.4479    2.1556    0.0000 O   0  5
   -5.9993    1.7673    0.0000 O   0  0
   -7.8362    3.6042    0.0000 O   0  0
   -0.7488    2.7970    0.0000 C   0  0
   -0.3606    4.2459    0.0000 O   0  0
    2.6003    1.4978    0.0000 C   0  0
    2.6029    2.9978    0.0000 O   0  5
    3.8983    0.7459    0.0000 O   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 20 27  1  0
 27 28  1  0
 27 29  2  0
 27 30  2  0
 16 31  1  0
 31 12  1  0
 31 32  2  0
 11 33  1  0
 33 34  1  0
 33 35  2  0
  8 36  1  0
 36 37  2  0
 37  5  1  0
M  CHG  4   1   1   8   1  28  -1  34  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11889

> <plate>
PLATE 012

> <well>
F9

> <supplier_cmpd_name>
Cefsulodine sodium

> <ctcr_id>
213

> <supplier_cmpd_id>
T0827

> <smiles>
[Na+].NC(=O)c1cc[n+](CC2=C(N3C(SC2)C(NC(=O)C(c4ccccc4)[S]([O-])(=O)=O)C3=O)C([O-])=O)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"cefsulodin sodium",SPECTRUM1502029,CHEMBL1565861,HMS501M10,HMS2092P07,CCG-39429,CCG39429,AKOS026749960,NCGC00016134-02,NCGC0001613402,NCGC00096007-01,NCGC0009600701,DB-052079,DB052079,FT-0603025,FT0
603025,A-8920,A8920,T0827,1502029,"Cefsulodine sodium","CEFSULODIN SODIUM"}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5702183}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 59 62  0  0  0  0            999 V2000
    0.2226    2.7400    0.0000 C   0  0
   -0.2925    1.3312    0.0000 O   0  0
    0.6699    0.1795    0.0000 C   0  0
    0.1568   -1.2300    0.0000 C   0  0
   -1.3203   -1.4907    0.0000 O   0  0
    1.1219   -2.3794    0.0000 C   0  0
    2.6000   -2.1193    0.0000 C   0  0
    3.1131   -0.7097    0.0000 O   0  0
    3.5651   -3.2686    0.0000 O   0  0
    5.0432   -3.0085    0.0000 C   0  0
    5.5563   -1.5990    0.0000 C   0  0
    6.0083   -4.1579    0.0000 C   0  0
    7.4864   -3.8978    0.0000 C   0  0
    7.9995   -2.4882    0.0000 C   0  0
    7.0344   -1.3388    0.0000 C   0  0
    7.5474    0.0707    0.0000 C   0  0
    6.5823    1.2201    0.0000 C   0  0
    7.0985    2.6294    0.0000 O   0  0
    8.5769    2.8879    0.0000 C   0  0
    9.0949    4.2956    0.0000 C   0  0
   10.5730    4.5510    0.0000 C   0  0
   11.5332    3.3986    0.0000 C   0  0
   11.0153    1.9909    0.0000 C   0  0
   11.9755    0.8385    0.0000 C   0  0
    9.5372    1.7355    0.0000 O   0  0
   13.0116    3.6572    0.0000 N   0  0
   13.5275    5.0656    0.0000 C   0  0
   13.9738    2.5064    0.0000 C   0  0
    5.1042    0.9600    0.0000 C   0  0
    4.5912   -0.4496    0.0000 C   0  0
    4.1391    2.1094    0.0000 C   0  0
    2.6610    1.8492    0.0000 C   0  0
    1.6987    3.0009    0.0000 C   0  0
    2.2140    4.4105    0.0000 C   0  0
    1.2522    5.5615    0.0000 O   0  0
    2.1480    0.4397    0.0000 C   0  0
    1.6317   -0.9696    0.0000 O   0  0
    0.1533   -1.2281    0.0000 C   0  0
   -1.1432   -0.4736    0.0000 O   0  0
   -2.4448   -1.2191    0.0000 C   0  0
   -3.7412   -0.4646    0.0000 C   0  0
   -2.4500   -2.7191    0.0000 C   0  0
   -3.9284   -2.9776    0.0000 O   0  0
   -4.8922   -1.8272    0.0000 C   0  0
   -6.3702   -2.0834    0.0000 C   0  0
   -7.3312   -0.9316    0.0000 C   0  0
   -8.2647    0.2425    0.0000 C   0  0
   -7.8149   -2.3515    0.0000 O   0  0
   -6.8142    0.4765    0.0000 C   0  0
   -7.7751    1.6282    0.0000 O   0  0
   -5.3362    0.7328    0.0000 C   0  0
   -4.8192    2.1409    0.0000 C   0  0
   -4.3753   -0.4190    0.0000 O   0  0
   -1.1536   -3.4736    0.0000 C   0  0
    0.1481   -2.7281    0.0000 C   0  0
    1.4445   -3.4826    0.0000 O   0  0
   -1.1557   -4.9744    0.0000 N   0  0
    0.1418   -5.7271    0.0000 C   0  0
   -2.4560   -5.7222    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 19  1  0
 22 26  1  0
 26 27  1  0
 26 28  1  0
 17 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 32 36  1  0
 36  3  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  1  0
 46 49  1  0
 49 50  1  0
 49 51  1  0
 51 52  1  0
 51 53  1  0
 53 44  1  0
 42 54  1  0
 54 55  1  0
 55 38  1  0
 55 56  1  0
 54 57  1  0
 57 58  1  0
 57 59  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11890

> <plate>
PLATE 012

> <well>
F10

> <supplier_cmpd_name>
Spiramycin

> <ctcr_id>
2814

> <supplier_cmpd_id>
T0819

> <smiles>
COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C

> <pd_targets>
{RPLC}

> <pathway_gtopdb>
{}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"bacterial 50S ribosomal subunit inhibitor"}

> <synonyms>
{"Spiramycin I",spiramycin,"spiramycin (undefined stereochemistry)",24916-50-5,24916505,8025-81-8,8025818,Spiramycins,BCP31237,FT-0657527,FT0657527,Q13023033,T0819,Prestw-745,S4082,Spiramycin}

> <pdid>
PD007444

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5266}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 19  0  0  0  0            999 V2000
   12.7985   -0.3712    0.0000 H   0  3
   10.2985   -0.3712    0.0000 Cl  0  5
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Br  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Br  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
 13 14  1  0
  4 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11891

> <plate>
PLATE 012

> <well>
F11

> <supplier_cmpd_name>
Bromhexine hydrochloride

> <ctcr_id>
5914

> <supplier_cmpd_id>
T0828

> <smiles>
[H+].[Cl-].CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2

> <pd_targets>
{HTT,CYP3A4,LMNA,RORC,TMPRSS2,ABCB11,SIGMAR1,CYP2D6,SLC6A4}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Other nuclear protein","Transcription factor",Transporter,"Membrane receptor","Cytochrome P450","Nuclear receptor",Protease,"Primary active transporter","Electrochemica
l transporter","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Serine protease","ATP-binding cassette","Cytochrome P450 family 2","SLC superfamily of solute carriers","Cytochrome P4
50 family 3A","Nuclear hormone receptor subfamily 1 group F","ABCB subfamily","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","Cytochrome P450 3A4","Nuclear hormone receptor su
bfamily 1 group F member 3","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Cytochrome P450","Nuclear hormone receptors","Peptidases and proteinases","ATP-binding cassette transporter family","Sigma receptors","SLC supe
rfamily of solute carriers","CYP3 family","1F. Retinoic acid-related orphans","PA: Serine (S) Peptidases","ABCB subfamily","CYP2 family: drug metabolising subset","SLC6 neurotransmitter transporter fa
mily","S1: Chymotrypsin","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Cell Cycle",Disease,"Neuronal System","RNA Polymerase II Transcription","Metabolism of lipids",Mitotic,"Infectious disease","Biological oxidations","Tran
smission across Chemical Synapses","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","SARS-CoV Infections","Metabolism of steroids","Phase I - Funct
ionalization of compounds","Neurotransmitter clearance","Transcriptional Regulation by MECP2","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3",
"SARS-CoV-1 Infection","Bile acid and bile salt metabolism","Potential therapeutics for SARS","Cytochrome P450 - arranged by substrate type","Serotonin clearance from the synaptic cleft","Regulation o
f MECP2 expression and activity","Biosynthesis of maresins","Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Attachment and Entry","Synthesis of bile acids and bile salts",Xeno
biotics,"Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions","Initiation of Nuclear Envelope
 (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"mucolytic agent"}

> <synonyms>
{RESTW124,SCHEMBL10704011,"N-Cyclohexyl- N-methyl-(2-amino-3,5-dibrombenzyl)-ammonium-chlorid","NCyclohexyl Nmethyl(2amino3,5dibrombenzyl)ammoniumchlorid","Bromhexine hydrochloride",611-75-6,611756,"B
romhexine HCl",Auxit,"Bromohexine hydrochloride","Bromhexine (hydrochloride)",Broncokin,Viscolyt,2,4-Dibromo-6-((cycloh,4Dibromo6((cycloh,T0828,1503107,Prestw-1246,"BROMHEXINE HYDROCHLORIDE"}

> <pdid>
PD009404

> <targets>
{Autophagy,HIV,SARS-CoV}

> <classes>
{expectorant,Anti-infection,Autophagy}

> <pubchem_cids>
{43833350,5702220}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.1250   -4.3735    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 10 14  1  0
 14  7  2  0
 14 15  1  0
 15  2  1  0
 15 16  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11892

> <plate>
PLATE 012

> <well>
G2

> <supplier_cmpd_name>
Etofylline

> <ctcr_id>
745

> <supplier_cmpd_id>
T0829

> <smiles>
CN1C(=O)N(C)c2ncn(CCO)c2C1=O

> <pd_targets>
{AMPC,LMNA,ADORA2B}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor",Hydrolase,"Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Adenosine rece
ptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Adenosine receptors"}

> <pathway_reactome>
{"Cell Cycle",Disease,Mitotic,"Infectious disease","M Phase","Leishmania infection","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Mitotic Anaphase","Anti-inflammatory res
ponse favouring Leishmania parasite infection","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADORA1}

> <broad_moa>
{"adenosine receptor antagonist"}

> <synonyms>
{ETOFYLLINE,519-37-9,519379,7-(2-Hydroxyethyl)theophylline,7(2Hydroxyethyl)theophylline,Aethophyllinum,Oxyphylline,Cordalin,Ascorphylline,Dilaphyllin,Oxytheonyl,Oxyethyltheophylline,Frekaphyllin,Skler
odormal,Soluphylline,Bio-phylline,Biophylline,"Phyllocormin N",Corophyllin-N,CorophyllinN,T0829,2300357,Prestw-172,Etofylline,7-HYDROXYETHYLTHEOPHYLLINE}

> <pdid>
PD000042

> <targets>
{Others}

> <classes>
{bronchodilator,PDE inhibitor,vasodilator,Others}

> <pubchem_cids>
{1892}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 S   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -5.1985   -2.9860    0.0000 Cl  0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -2.6160   -7.4949    0.0000 Cl  0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0127   -6.0039    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  2  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11893

> <plate>
PLATE 012

> <well>
G3

> <supplier_cmpd_name>
Bithionol

> <ctcr_id>
8196

> <supplier_cmpd_id>
T0830

> <smiles>
Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O

> <pd_targets>
{CASP7,KMT2A,MEN1,RECQL,KDM4E,HSD17B10,RORC,FTL,TP53,CYP3A4,MAPK1,ALOX12,CASP1,LEF,MAPT,ALOX15,HPGD,HIF1A,TSHR,ALDH1A1,NR1I2,LMNA,MCL1,THRB,KCNT1,ESR2,AMPC,BLM,MAPK14,HTT,ESR1,ENV,GROES,GROL,S1PR1,POL
B,HSPD1,HSPE1,NAPEPLD,ADRA2B,SLC6A2,HTR2B,HTR2C,ADORA3,ADORA2A,ADRA2A,LCK,HTR1A,SLC22A1,SLC47A2,ADRA2C,OPRM1,SLC22A3,SLC47A1,DRD3,ERBB2,TACR2,SLC6A3,SLC22A2,EGFR,TBXAS1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Unclassified protein","Other cytosolic protein","Membrane receptor","Other nuclear protein","Surface antigen",Transporter,Protease,Reader,Eraser,
Oxidoreductase,"Nuclear receptor","Cytochrome P450",Kinase,"Family A G protein-coupled receptor",Hydrolase,Phosphodiesterase,"Electrochemical transporter","Cysteine protease",Bromodomain,"Lysine demet
hylase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Protein Kinase","Metallo protease","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 3","Small molecule 
receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 5","Cysteine protease CD clan","Jumonji domain-containing","Cysteine protease CA clan","Nuclear hormone receptor 
subfamily 1 group F","Cytochrome P450 family 3A","CMGC protein kinase group","Metallo protease MAE clan","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone recepto
r subfamily 1 group A","Nuclear hormone receptor subfamily 3 group A","Lipid-like ligand receptor (family A GPCR)","Monoamine receptor","SLC06 neurotransmitter transporter family","Nucleotide-like rec
eptor (family A GPCR)","TK protein kinase group","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and toxin extrusion transporters","Short peptide receptor (family A 
GPCR)","Cytochrome P450 family 5A","Cysteine protease C14 family","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","CMGC protein kinase MAPK
 family","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group I member 2","Metallo protease M1 family","Nuclear hormone receptor subfamily 1 group A member 2","Nuclear hormone rec
eptor subfamily 3 group A member 2","Nuclear hormone receptor subfamily 3 group A member 1","EDG receptor","Adrenergic receptor","Serotonin receptor","Adenosine receptor","Tyrosine protein kinase Src 
family","Opioid receptor","Dopamine receptor","Tyrosine protein kinase EGFR family","Neurokinin receptor","Cytochrome P450 5A1","CMGC protein kinase ERK1","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Ion channels",Transporters,"Peptidases and proteinases","Chromatin modifying enzymes","Nuclear hormone receptors","Cytochrome P450","Kinases (EC 2.7.x.x)","
Eicosanoid turnover","G protein-coupled receptors","B-cell lymphoma 2 (Bcl-2) protein family","Voltage-gated ion channels","Anti-infective targets","Endocannabinoid turnover","SLC superfamily of solut
e carriers","Catalytic receptors","CD: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Lipox
ygenases,"Prostaglandin synthases","Glycoprotein hormone receptors","1I. Vitamin D receptor-like receptors","1A. Thyroid hormone receptors","Potassium channels","Steroid hormone receptors","Lysophosph
olipid (S1P) receptors","Viral protein targets","<i>N</i>-Acylethanolamine turnover",Adrenoceptors,"SLC6 neurotransmitter transporter family","5-Hydroxytryptamine receptors","Adenosine receptors","Rec
eptor kinases","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and toxin extrusion transporters","Opioid receptors","Dopamine receptors","Tachykinin receptors",CYP5,
"CYP7 and CYP8 families","C14: Caspase","Mitogen-activated protein kinases (MAP kinases)","Calcium- and sodium-activated potassium channels","3A. Estrogen receptors","Coronavirus (CoV) proteins","Mono
amine transporter subfamily","TK: Tyrosine kinase","Organic cation transporters (OCT)","ERK subfamily","p38 subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Src f
amily","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Programmed Cell Death",Metabolism,"Gene expression (Transcription)","Vesicle-mediated transport","Cell Cycle","Immune System",Disease,"Neuronal System","Cellular responses to external stimuli","Meta
bolism of proteins","Signal Transduction","DNA Repair","Transport of small molecules","Developmental Biology",Apoptosis,"Metabolism of amino acids and derivatives","RNA Polymerase II Transcription","M
embrane Trafficking","Cell Cycle Checkpoints","Metabolism of lipids","Innate Immune System","Infectious disease","Transmission across Chemical Synapses","Cellular responses to stress","Biological oxid
ations","Post-translational protein modification",Mitotic,"Cytokine Signaling in Immune system","Intracellular signaling by second messengers","DNA Double-Strand Break Repair","Signaling by GPCR","Bas
e Excision Repair","Disorders of transmembrane transporters","SLC-mediated transmembrane transport","Nervous system development","Intrinsic Pathway for Apoptosis","Branched-chain amino acid catabolism
","Generic Transcription Pathway","trans-Golgi Network Vesicle Budding","G1/S DNA Damage Checkpoints","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Uptake 
and actions of bacterial toxins","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","Leishmania infection","Phase I - Functionalization of compounds",SUMO
ylation,"M Phase","Signaling by Interleukins","PIP3 activates AKT signaling","Homology Directed Repair","GPCR ligand binding","SARS-CoV Infections","Resolution of Abasic Sites (AP sites)","GPCR downst
ream signalling","SLC transporter disorders","HIV Infection","Transport of bile salts and organic acids","metal ions and amine compounds","Axon guidance","Apoptotic factor-mediated response","Transcri
ptional regulation by RUNX3","Golgi Associated Vesicle Biogenesis","p53-Dependent G1/S DNA damage checkpoint","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of 
DPA-derived SPMs","Transcriptional Regulation by TP53","Uptake and function of anthrax toxins","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline hydroxylation of Hypoxia
-inducible Factor Alpha","Leishmania parasite growth and survival","Ethanol oxidation","SUMO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaphase","Interleukin-4 and Interleukin-13 si
gnaling","Negative regulation of the PI3K/AKT network","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by MECP2","Transcriptional regulation b
y RUNX1","Class A/1 (Rhodopsin-like receptors)","SARS-CoV-1 Infection","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G alpha (i) signalling events","Defective SLC6A2 
causes orthostatic intolerance (OI)","Host Interactions of HIV factors","Organic cation/anion/zwitterion transport","Semaphorin interactions","Defective SLC6A3 causes Parkinsonism-dystonia infantile (
PKDYS)","G alpha (q) signalling events","Cytochrome P450 - arranged by substrate type","Cytochrome c-mediated apoptotic response","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1
 DNA Damage Response","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of Cell Death Genes","Post NMDA receptor activ
ation events","Biosynthesis of D-series resolvins","Anti-inflammatory response favouring Leishmania parasite infection","SUMOylation of intracellular receptors","Mitotic Anaphase",PI5P,"PP2A and IER3 
Regulate PI3K/AKT Signaling","HDR through Homologous Recombination (HRR)","Regulation of MECP2 expression and activity","RUNX1 regulates estrogen receptor mediated transcription","Lysosphingolipid and
 LPA receptors","SARS-CoV-1 Genome Replication and Transcription","PCNA-Dependent Long Patch Base Excision Repair","Visual phototransduction","Amine ligand-binding receptors","Nucleotide-like (puriner
gic) receptors","The role of Nef in HIV-1 replication and disease pathogenesis","Organic cation transport","Opioid Signalling","Sema4D in semaphorin signaling","Peptide ligand-binding receptors","Gast
rin-CREB signalling pathway via PKC and MAPK",Eicosanoids,"Activation of caspases through apoptosome-mediated cleavage","Stabilization of p53","Biosynthesis of maresin-like SPMs","MAP kinase activatio
n","Biosynthesis of DPAn-3-derived maresins","TP53 Regulates Transcription of Caspase Activators and Caspases","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and 
resolvins","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Replication of the SARS-CoV-1 genome","The canonic
al retinoid cycle in rods (twilight vision)",Adrenoceptors,"Serotonin receptors","Adenosine P1 receptors","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapter
s","G-protein activation","Dopamine receptors","Sema4D induced cell migration and growth-cone collapse","Tachykinin receptors bind tachykinins","EGFR Transactivation by Gastrin","Autodegradation of th
e E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","
Biosynthesis of A2E","implicated in retinal degradation","Nef Mediated CD4 Down-regulation","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","ERKs are inactivated"}

> <broad_targets>
{ESR1,ESR2,MCL1}

> <broad_moa>
{"autotaxin inhibitor"}

> <synonyms>
{bithionol,97-18-7,97187,Actamer,"2,2'-Thiobis(4,6-dichlorophenol)","2,2'Thiobis(4,6dichlorophenol)",Lorothidol,Bithin,Bitin,"Bithionol sulfide",Bithionolate,Bidiphen,Bisoxyphen,Bitionol,Lorothiodol,N
eopellis,Nobacter,"Vancide BL","Usaf B-22","Usaf B22","Bis(2-hydroxy-3,5-dichlorophenyl) sulfide","Bis(2hydroxy3,5dichlorophenyl) sulfide",Bi,T0830,S4552,Bithionol}

> <pdid>
PD002451

> <targets>
{cAMP}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{2406}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 42  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    1.2941   -3.7520    0.0000 C   0  0
    1.2894   -5.2521    0.0000 C   0  0
   -0.0120   -5.9981    0.0000 C   0  0
   -1.3087   -5.2440    0.0000 C   0  0
   -2.6123   -5.9877    0.0000 O   0  0
   -3.9086   -5.2314    0.0000 C   0  0
   -5.2123   -5.9751    0.0000 C   0  0
   -6.5086   -5.2188    0.0000 N   0  0
   -7.8115   -5.9621    0.0000 C   0  0
   -6.5013   -3.7189    0.0000 C   0  0
   -1.3040   -3.7440    0.0000 C   0  0
   -0.0027   -2.9981    0.0000 C   0  0
   10.2915   -1.5124    0.0000 O   0  0
   10.2915   -3.0124    0.0000 C   0  0
    8.9922   -3.7620    0.0000 O   0  0
   11.5915   -3.7624    0.0000 C   0  0
   12.8915   -3.0124    0.0000 C   0  0
   14.1900   -3.7632    0.0000 O   0  0
   12.8929   -1.5115    0.0000 C   0  0
   14.1929   -0.7615    0.0000 C   0  0
   15.4914   -1.5124    0.0000 O   0  0
   14.1943    0.7385    0.0000 O   0  0
   12.8927   -4.5423    0.0000 C   0  0
   11.5940   -5.2930    0.0000 O   0  0
   14.1918   -5.2921    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  3 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 20 27  1  0
 27 28  2  0
 28 17  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 33 39  1  0
 39 40  1  0
 39 41  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11894

> <plate>
PLATE 012

> <well>
G4

> <supplier_cmpd_name>
Tamoxifen Z-isomer citrate

> <ctcr_id>
5844

> <supplier_cmpd_id>
T0835

> <smiles>
CC/C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCCN(C)C)cc3.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"RESTW 14",Tamoxan,Tamoxene,Tamoxin,Tamox,MLS001055370,"Tamoxifen citrate",54965-24-1,54965241,"54965 24 1",Istubal,"Tamoxifen (Citrate)","Tamoxifen citrate salt",UNII-7FRV7310N6,UNII7FRV7310N6,"UNII
 7FRV7310N6",C32H37NO8,"ICI 46474","ICI 46,474","Tamoxifen Citrate (Nolvadex)","54965-24-1 (citrate)","54965241 (citrate)","54965 24 1 (citrate)",7FRV7310N,T0835,180973,S1972,NSC180973,1500557,Prestw-
146,"NSC 180973
NSC 180973","Tamoxifen Z-isomer citrate","Tamoxifen Citrate","TAMOXIFEN CITRATE"}

> <pdid>

> <targets>
{Estrogen/progestogen Receptor,Apoptosis,Autophagy,Estrogen Receptor/ERR,HSP}

> <classes>
{antineoplastic,Endocrinology & Hormones,SERM,estrogen antagonist,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease,Others}

> <pubchem_cids>
{25010734,2733525}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  0
   -3.8990   -0.7455    0.0000 S   0  0
   -3.8964    0.7545    0.0000 O   0  0
   -2.5988    0.0025    0.0000 O   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -5.2034   -2.9932    0.0000 C   0  0
   -6.5040   -3.7406    0.0000 C   0  0
   -7.8015   -2.9879    0.0000 C   0  0
   -9.1020   -3.7352    0.0000 N   0  0
   -7.7984   -1.4879    0.0000 C   0  0
   -6.4978   -0.7406    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
  7 19  2  0
 19  3  1  0
 19 20  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11895

> <plate>
PLATE 012

> <well>
G5

> <supplier_cmpd_name>
Sulfadoxine

> <ctcr_id>
2230

> <supplier_cmpd_id>
T0836

> <smiles>
COc1ncnc(N[S](=O)(=O)c2ccc(N)cc2)c1OC

> <pd_targets>
{PPPK-DHPS}

> <pathway_gtopdb>
{Enzyme,Transferase,Oxidoreductase}

> <pathway_chembl>
{"Other protein targets","Anti-infective targets","Antimalarial targets","Folate biosynthesis enzymes"}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"dihydropteroate synthase inhibitor"}

> <synonyms>
{SULFADOXINE,2447-57-6,2447576,Sulphadoxine,Sulforthomidine,"4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide","4aminoN(5,6dimethoxypyrimidin4yl)benzenesulfonamide",Fanasil,Sulphormethoxine,S
ulfadoxin,Sulfadoxina,Sulfadoxinum,Fanzil,"Ro 4-4393","Ro 44393",Benzenesulfonamide,4-amino-N-(5,4aminoN(5,6-dimethoxy-4-pyri,6dimethoxy4pyri,T0836,Prestw-1094,Sulfadoxine}

> <pdid>
PD000200

> <targets>
{Antibiotic,HIV,Parasite}

> <classes>
{Anti-infection}

> <pubchem_cids>
{17134}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.5517    0.8722    0.0000 O   0  0
   -7.5554    1.9869    0.0000 C   0  0
   -6.8054    3.2859    0.0000 C   0  0
   -5.3382    2.9741    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  7 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  2  0
 11 19  1  0
 19 20  2  0
 20  5  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11896

> <plate>
PLATE 012

> <well>
G6

> <supplier_cmpd_name>
Furosemide

> <ctcr_id>
3070

> <supplier_cmpd_id>
T0837

> <smiles>
N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl

> <pd_targets>
{CA5B,CA13,ALDH1A1,CISD1,GPR35,CA5A,CA4,CA1,CA2,CA9,CA14,CA12,CA7,ACPS,CA6,SLC12A1,SLC12A2,HSD11B1,SLC10A1,SLCO2A1,SLC22A6}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor",Transporter,Lyase,Oxidoreductase,"Family A G protein-coupled receptor",Transferase,"Electrochemical transporter","Small molecule receptor (family A G
PCR)","SLC superfamily of solute carriers","Carboxylic acid receptor","SLC12 family of cation-coupled chloride transporters","SLC10 family of sodium-bile acid co-transporters","SLC21/SLCO family of or
ganic anion transporting polypeptides","SLC22 family of organic cation and anion transporters","Kynurenic acid receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Carbonic anhydrases","G protein-coupled receptors","SLC superfamily of solute carriers","1.-.-.- Oxidoreductases","Orphan and other 7TM receptors","SLC12 family of cat
ion-coupled chloride transporters","SLC10 family of sodium-bile acid co-transporters","SLCO family of organic anion transporting polypeptides","SLC22 family of organic cation and anion transporters","
Class A Orphans","Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Transport of small molecules","Immune System","Cellular responses to external stimuli",Disease,"Reversible hydration of carbon dioxide","Biological oxidations","Sign
aling by GPCR","O2/CO2 exchange in erythrocytes","Cytokine Signaling in Immune system","Cellular responses to stress","Disorders of transmembrane transporters","SLC-mediated transmembrane transport","
Metabolism of lipids","Phase I - Functionalization of compounds","GPCR ligand binding","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins","Cellular response to hypoxi
a","SLC transporter disorders","Transport of inorganic cations/anions and amino acids/oligopeptides","Metabolism of steroids","Transport of bile salts and organic acids","metal ions and amine compound
s","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Interleukin-12 family signaling","Regulation of gene expression by Hypoxia-inducible Factor","Defective SLC12A1 causes Bartter syndrome 1
 (BS1)","Cation-coupled Chloride cotransporters","Metabolism of steroid hormones","Bile acid and bile salt metabolism","Defective SLCO2A1 causes primary","autosomal recessive hypertrophic osteoarthrop
athy 2 (PHOAR2)","Organic cation/anion/zwitterion transport","Interleukin-12 signaling","Glucocorticoid biosynthesis","Recycling of bile acids and salts","Organic anion transport","Gene and protein ex
pression by JAK-STAT signaling after Interleukin-12 stimulation"}

> <broad_targets>
{CA2,GPR35,SLC12A1,SLC12A2}

> <broad_moa>
{diuretic}

> <synonyms>
{furosemide,54-31-9,54319,Frusemide,Lasix,Furosemid,Furanthril,Errolon,Fusid,Aisemide,Beronald,Desdemin,Frusemin,Fuluvamide,Furanthryl,Furantril,Fursemide,Lowpstron,Macasirool,Prefemin,Rosemide,Trofur
it,Fulsix,Furesis,Katlex,Lasilix,Radonna,Seguril,T0837,SAM002264614,1500310,Prestw-341,Furosemide,CPD000058202,FUROSEMIDE}

> <pdid>
PD002324

> <targets>
{}

> <classes>
{antihypertensive,diuretic}

> <pubchem_cids>
{3440,118985385}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    1.7978   -5.7203    0.0000 C   0  0
    2.5497   -4.4224    0.0000 S   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    0.0127    6.0039    0.0000 Cl  0  0
    2.6108    5.9949    0.0000 C   0  0
    2.6160    7.4949    0.0000 Cl  0  0
    3.9072    5.2405    0.0000 C   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16  9  1  0
  7 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20  5  1  0
 20 21  1  0
 21  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11897

> <plate>
PLATE 012

> <well>
G7

> <supplier_cmpd_name>
Triclabendazole

> <ctcr_id>
11077

> <supplier_cmpd_id>
T0838

> <smiles>
CSc1nc2cc(Oc3c(Cl)c(Cl)ccc3)c(Cl)cc2[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Triclabendazole,68786-66-3,68786663,Fasinex,"6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzo(d)imidazole","6Chloro5(2,3dichlorophenoxy)2(methylthio)1Hbenzo(d)imidazole","6-chloro-5-(2,3-dich
lorophenoxy)-2-methylsulfanyl-1H-benzimidazole","6chloro5(2,3dichlorophenoxy)2methylsulfanyl1Hbenzimidazole",UNII-4784C8E03O,UNII4784C8E03O,NVP-EGA230,NVPEGA230,CPD000466357,EGA230B,MLS001424101,CHE,T
0838}

> <pdid>

> <targets>
{Tubulin}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{50248}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    3.8926   -3.7566    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11898

> <plate>
PLATE 012

> <well>
G8

> <supplier_cmpd_name>
Ketoprofen

> <ctcr_id>
5066

> <supplier_cmpd_id>
T0839

> <smiles>
CC(C(O)=O)c1cccc(c1)C(=O)c2ccccc2

> <pd_targets>
{AMPC,PMP22,KDM4E,HPGD,PTGS2,SMN1,CYP3A4,PTGS1,LMNA,ALDH1A1,HSD17B10,MAPK1,MAPT,SLC22A7,SLC22A6,SLC5A8,CXCR1,CXCL8,CXCR2,THPO,HIF1A,RECQL,RORC,ALD}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Epigenetic regulator","Other nuclear protein","Other cytosolic protein",Transporter,"Membrane receptor","Secreted protein","Transcription factor",Hydrolase,Eraser,Oxido
reductase,Reader,"Cytochrome P450",Kinase,"Electrochemical transporter","Family A G protein-coupled receptor","Lysine demethylase","Methyl-lysine/arginine binding protein","Cytochrome P450 family 3","
Protein Kinase","SLC superfamily of solute carriers","Peptide receptor (family A GPCR)","Jumonji domain-containing","Tudor domain","Cytochrome P450 family 3A","CMGC protein kinase group","SLC22 family
 of organic cation and anion transporters","Chemokine receptor","Cytochrome P450 3A4","CMGC protein kinase MAPK family","CXC chemokine receptor","CMGC protein kinase ERK1","Nuclear receptor","Nuclear 
hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Chromatin modifying enzymes","Eicosanoid turnover","Cytochrome P450","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","G protein-coupled receptors","1.14.11
.- Histone demethylases","Prostaglandin synthases",Cyclooxygenase,"CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC22 family of organic cation and anion transporters","SLC5 family of 
sodium-dependent glucose transporters","Chemokine receptors","Mitogen-activated protein kinases (MAP kinases)","Organic anion transporters (OATs)","Sodium iodide symporter","sodium-dependent multivita
min transporter and sodium-coupled monocarboxylate transporters","ERK subfamily","Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Developmental Biology",Metabolism,"Metabolism of RNA","Cell Cycle","Immune System","Neuronal System","Transport of small molecules","Signal Transduction",Hemostasis,"Cellular responses to external s
timuli","Nervous system development","Metabolism of lipids","Metabolism of non-coding RNA",Mitotic,"Biological oxidations","Metabolism of amino acids and derivatives","Innate Immune System","Transmiss
ion across Chemical Synapses","SLC-mediated transmembrane transport","Metabolism of vitamins and cofactors","Signaling by GPCR","Platelet activation","signaling and aggregation","Cellular responses to
 stress","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of specialized proresolving mediators (SPMs)","snRNP Assembly","Fatty acid metabolism","M Phase","Phase I - Func
tionalization of compounds","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Transport of bile salts and organic 
acids","metal ions and amine compounds","Metabolism of water-soluble vitamins and cofactors","GPCR ligand binding","Platelet Aggregation (Plug Formation)","Cellular response to hypoxia","Biosynthesis 
of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Mitotic Metaphase and Anaphase","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA rec
eptors and postsynaptic events","Organic cation/anion/zwitterion transport","Nicotinate metabolism","Class A/1 (Rhodopsin-like receptors)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible 
Factor Alpha","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresins","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Mitotic Anaphase","MyD88 cascade i
nitiated on plasma membrane","Post NMDA receptor activation events","Organic anion transport","Nicotinamide salvaging","Peptide ligand-binding receptors","Biosynthesis of maresin-like SPMs","Nuclear E
nvelope (NE) Reassembly","MAP kinase activation","Activation of AMPK downstream of NMDARs","Chemokine receptors bind chemokines","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclea
r events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated","Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulat
ion by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{PTGS1,PTGS2,SLC5A8}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{ketoprofen,22071-15-4,22071154,"2-(3-Benzoylphenyl)propanoic acid","2(3Benzoylphenyl)propanoic acid","2-(3-Benzoylphenyl)propionic acid","2(3Benzoylphenyl)propionic acid",Orudis,"m-Benzoylhydratropic
 acid","mBenzoylhydratropic acid",Ketoprofene,Profenid,Oruvail,Actron,"3-Benzoylhydratropic acid","3Benzoylhydratropic acid",Alrheumun,Capisten,Epatec,Aneol,"Orudis (TN)",Ket,T0839,T0839L,SAM002264620
,1501215,Prestw-219,Ketoprofen,(S)-(+)-Ketoprofen,CPD000040181,KETOPROFEN}

> <pdid>
PD001443

> <targets>
{Apoptosis,COX}

> <classes>
{antiinflammatory,Apoptosis,Immunology/Inflammation}

> <pubchem_cids>
{3825}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  7  7  0  0  0  0            999 V2000
    1.6317   -2.2458    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11899

> <plate>
PLATE 012

> <well>
G9

> <supplier_cmpd_name>
Methimazole

> <ctcr_id>
4449

> <supplier_cmpd_id>
T0840

> <smiles>
CN1C=CNC1=S

> <pd_targets>
{ALDH1A1,DBH,KMT2A,MEN1,LPO,LMNA,FFP,RORC,TPO}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other nuclear protein","Transcription factor",Oxidoreductase,Reader,Transferase,"Nuclear receptor",Bromodomain,"Nuclear hormone receptor subfamily 1","Nuclear hormone r
eceptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Catecholamine turnover","Nuclear hormone receptors","Thyroid hormone turnover","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,"Immune System","Cell Cycle","Gene expression (Transcription)","Biological oxidations","Metabolism of amino acids and derivatives","Innate Immune System",Mitotic,"RNA Polymerase II Transcr
iption","Phase I - Functionalization of compounds","Metabolism of amine-derived hormones","ROS and RNS production in phagocytes","M Phase","Generic Transcription Pathway","Ethanol oxidation","Catechol
amine biosynthesis","Events associated with phagocytolytic activity of PMN cells","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3","Thyroxine biosynthesis","Mitotic Anaphase","RU
NX3 Regulates Immune Response and Cell Migration","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TPO}

> <broad_moa>
{"antithyroid agent"}

> <synonyms>
{"2-Mercapto-1-methylimidazole, 98","2Mercapto1methylimidazole, 98",methimazole,60-56-0,60560,thiamazole,Tapazole,2-Mercapto-1-methylimidazole,2Mercapto1methylimidazole,Methimazol,1-Methylimidazole-2-
thiol,1Methylimidazole2thiol,Mercazole,Mercazolyl,Metazolo,Thymidazol,Thymidazole,Mercaptazole,Merkazolil,Metothyrin,Met,T0840,SAM002548951,1500396,Prestw-786,Methimazole,CPD000058376,METHIMAZOLE}

> <pdid>
PD000229

> <targets>
{Others}

> <classes>
{antihyperthyroid,Others}

> <pubchem_cids>
{1349907}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2973   -2.2519    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
  -11.6975    3.7386    0.0000 Cl  0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
  8 21  1  0
 21 22  2  0
 22  5  1  0
  2 23  1  0
 23 24  1  0
 23 25  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11900

> <plate>
PLATE 012

> <well>
G10

> <supplier_cmpd_name>
Bezafibrate

> <ctcr_id>
1267

> <supplier_cmpd_id>
T0841

> <smiles>
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O

> <pd_targets>
{PPARG,PPARA,ALDH1A1,FABP2,FABP1,PPARD,NR1I2,RXRA,RXRB,RXRG}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Auxiliary transport protein","Nuclear receptor",Oxidoreductase,"Fatty acid binding protein family","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subf
amily 2","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subfamily 1 group C memb
er 3","Nuclear hormone receptor subfamily 1 group C member 1","Nuclear hormone receptor subfamily 1 group C member 2","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone receptor 
subfamily 2 group B member 1","Nuclear hormone receptor subfamily 2 group B member 2","Nuclear hormone receptor subfamily 2 group B member 3"}

> <pathway_chembl>
{Receptors,"Other protein targets","Nuclear hormone receptors","Fatty acid-binding proteins","1C. Peroxisome proliferator-activated receptors","1I. Vitamin D receptor-like receptors","2B. Retinoid X r
eceptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Metabolism of proteins","RNA Polymerase II Transcription","Metabolism of lipids","Biological oxidations","The citric acid (TCA) cycle and respiratory ele
ctron transport","Post-translational protein modification","Generic Transcription Pathway","Metabolism of steroids","Phase I - Functionalization of compounds","Triglyceride metabolism","Regulation of 
lipid metabolism by PPARalpha","Pyruvate metabolism and Citric Acid (TCA) cycle",SUMOylation,"Transcriptional Regulation by MECP2","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Ethanol ox
idation","Triglyceride catabolism","PPARA activates gene expression","Pyruvate metabolism","SUMO E3 ligases SUMOylate target proteins","Bile acid and bile salt metabolism","Nuclear Receptor transcript
ion pathway","MECP2 regulates transcription factors","Activation of gene expression by SREBF (SREBP)","Regulation of pyruvate dehydrogenase (PDH) complex","SUMOylation of intracellular receptors","Syn
thesis of bile acids and bile salts","Synthesis of bile acids and bile salts via 27-hydroxycholesterol"}

> <broad_targets>
{PPARA,PPARD,PPARG}

> <broad_moa>
{"PPAR receptor agonist"}

> <synonyms>
{"BM 15.075",bezafibrate,41859-67-0,41859670,Bezalip,Cedur,Bezafibrat,Befizal,Sklerofibrat,Azufibrat,Bezatol,Bezafibratum,Bezafibrato,"Bezafibratum (INN-Latin)","Bezafibratum (INNLatin)","Bezafibrato 
(INN-Spanish)","Bezafibrato (INNSpanish)","Bezatol SR (TN)",BM-15.075,BM15.075,2-(4-(2-((4-chlorobenzoyl)amino)eth,2(4(2((4chlorobenzoyl)amino)eth,T0841,1502046,Prestw-378,Bezafibrate,BEZAFIBRATE}

> <pdid>
PD001407

> <targets>
{PPAR}

> <classes>
{antihyperlipidemic,Cell Cycle/DNA Damage}

> <pubchem_cids>
{39042}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  8 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18  6  1  0
 18 19  2  0
 19  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11901

> <plate>
PLATE 012

> <well>
G11

> <supplier_cmpd_name>
Ademine

> <ctcr_id>
1840

> <supplier_cmpd_id>
T0843

> <smiles>
Nc1nc(N)c2nc(c3ccccc3)c(N)nc2n1

> <pd_targets>
{GAA,ALOX12,SMN1,APEX1,HPGD,CHRM1,NS1,CASP1,CYP3A4,HSD17B10,KDM4E,NFO,RORC,ALDH1A1,PYK,NFKB1,CASP7,GLA,PMP22,TP53,LMNA,HIF1A,TSHR,CSNK1A1,IMPA1,GMNN,RMLC,CSNK1D,SCNN1A,SCNN1B,SCNN1G,PKM,JAK2,CSNK1E,LE
F,CYP1A2,PTR1,CTSG,MTOR,CYP2D6,SCNN1D}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Unclassified protein","Transcription factor","Other cytosolic protein","Other nuclear protein","Ion channel",Hydrolase,Reader,"Family A G protein-co
upled receptor",Protease,"Cytochrome P450",Oxidoreductase,Eraser,"Nuclear receptor",Transferase,Kinase,Isomerase,"Ligand-gated ion channel","Methyl-lysine/arginine binding protein","Small molecule rec
eptor (family A GPCR)","Cysteine protease","Cytochrome P450 family 3","Lysine demethylase","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Protein Kinase","Epithelial sodium
 channel","Metallo protease","Cytochrome P450 family 1","Serine protease","Cytochrome P450 family 2","Tudor domain","Monoamine receptor","Cysteine protease CD clan","Cytochrome P450 family 3A","Jumonj
i domain-containing","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","Glycohormone receptor","CK1 protein kinase group","TK protein kinase group","Metallo protease MAE clan"
,"Cytochrome P450 family 1A","Serine protease PA clan","Atypical protein kinase group","Cytochrome P450 family 2D","Acetylcholine receptor","Cysteine protease C14 family","Cytochrome P450 3A4","Nuclea
r hormone receptor subfamily 1 group F member 3","Cysteine protease C1A family","CK1 protein kinase CK1 family","Tyrosine protein kinase JakA family","Metallo protease M34 family","Cytochrome P450 1A1
","Serine protease S1A subfamily","Atypical protein kinase PIKK family","Cytochrome P450 2D6","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","3.2.1.- Glycosidases","Eicosanoid turnover","G protein-coupled receptors","Peptidases and proteinases","Cytochrome P450","Chromatin modifying enzymes","Nuclear hormo
ne receptors","Kinases (EC 2.7.x.x)","Inositol phosphate turnover","Ligand-gated ion channels","2.7.1.40 Pyruvate kinases","Catalytic receptors",Lipoxygenases,"Prostaglandin synthases","Acetylcholine 
receptors (muscarinic)","CD: Cysteine (C) Peptidases","CYP3 family","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","Glycoprotein hormone receptors","CK1: Casein kinase 1","Inosit
ol monophosphatase","Epithelial sodium channel (ENaC)","Receptor kinases","CYP1 family","PA: Serine (S) Peptidases",Atypical,"CYP2 family: drug metabolising subset","C14: Caspase","Casein kinase 1 (CK
1) family","TK: Tyrosine kinase","S1: Chymotrypsin","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Non-receptor tyrosine kinases (nRTKs)","FRAP subfamily","Janus kinase (JakA) family
"}

> <pathway_reactome>
{Disease,Metabolism,"Metabolism of RNA","DNA Repair","Signal Transduction","Gene expression (Transcription)","Immune System","Programmed Cell Death","Developmental Biology","Cell Cycle","Cellular resp
onses to external stimuli","Transport of small molecules","Diseases of metabolism","Metabolism of lipids","Metabolism of non-coding RNA","Base Excision Repair","Signaling by GPCR","RNA Polymerase II T
ranscription","Metabolism of amino acids and derivatives","Biological oxidations","Cytokine Signaling in Immune system",Apoptosis,"Nervous system development","Cell Cycle Checkpoints",Mitotic,"Cellula
r responses to stress","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Inositol phosphate metabolism","Metabolism of carbohydrates","Ion channe
l transport","Diseases of carbohydrate metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","snRNP Assembly","Resolution of Abasic Sites (AP sites)","GPCR ligand binding","Generic T
ranscription Pathway","Branched-chain amino acid catabolism","Phase I - Functionalization of compounds","Signaling by Interleukins","Intrinsic Pathway for Apoptosis","Sphingolipid metabolism","EGR2 an
d SOX10-mediated initiation of Schwann cell myelination","G1/S DNA Damage Checkpoints","M Phase","Cellular response to hypoxia","Leishmania infection","Signaling by WNT in cancer","Synthesis of IP2",I
P,"and Ins in the cytosol","Mitotic G1 phase and G1/S transition","Mitotic G2-G2/M phases","Glucose metabolism","Uptake and actions of bacterial toxins","Infection with Mycobacterium tuberculosis","St
imuli-sensing channels","Glycogen storage diseases","Biosynthesis of DPA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Biosynthesis of DHA-derived SPMs"
,"Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX3","Ethanol oxidation","Interleukin-1 family signaling","Apoptotic factor-mediated respo
nse","Glycosphingolipid metabolism","p53-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Leishmania p
arasite growth and survival","Signaling by AMER1 mutants","G1/S Transition","G2/M Transition",Glycolysis,"G1 Phase","Uptake and function of anthrax toxins","Cytochrome P450 - arranged by substrate typ
e","Response of Mtb to phagocytosis","Glycogen storage disease type II (GAA)","Biosynthesis of DPAn-3 SPMs","PCNA-Dependent Long Patch Base Excision Repair","Biosynthesis of D-series resolvins","Amine
 ligand-binding receptors","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","Interleukin-1 signaling","Cytochrome c-me
diated apoptotic response","p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Truncations of AMER1 destabilize the destruct
ion complex","Activation of the pre-replicative complex","Centrosome maturation","Cyclin D associated events in G1",Xenobiotics,"Suppression of apoptosis","Regulation of TP53 Activity","Biosynthesis o
f DPAn-3-derived maresins","Muscarinic acetylcholine receptors","TP53 Regulates Transcription of Caspase Activators and Caspases","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 a
ctivation","Activation of caspases through apoptosome-mediated cleavage","Stabilization of p53","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Loss of pr
oteins required for interphase microtubule organization from the centrosome","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Regulation of TP53 Expression and Degradation","CYP2E1 
reactions","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes","Regulation of TP53 Degradation"}

> <broad_targets>
{SCNN1A,SCNN1B,SCNN1D,SCNN1G}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{triamterene,396-01-0,396010,"6-phenylpteridine-2,4,7-triamine","6phenylpteridine2,4,7triamine","2,4,7-Triamino-6-phenylpteridine","2,4,7Triamino6phenylpteridine",Dyrenium,Dytac,Pterofen,Pterophene,Tr
iamteren,Triamteril,Triteren,Ademin,Ademine,Diurene,Noridil,Taturil,Teridin,Urocaudal,Jatropur,Noridyl,Triampur,Dir,T0843,SAM002554937,1500589,Prestw-34,CPD000059118,TRIAMTERENE,Triamterene}

> <pdid>
PD002107

> <targets>
{GPCR19,Sodium Channel}

> <classes>
{diuretic,GPCR/G Protein,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{5546}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 S   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -2.5988   -0.0025    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4978    0.7405    0.0000 C   0  0
   -7.7984    1.4878    0.0000 C   0  0
   -7.8015    2.9878    0.0000 C   0  0
   -9.1021    3.7352    0.0000 N   0  0
   -6.5040    3.7405    0.0000 C   0  0
   -5.2034    2.9932    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
  6 18  1  0
 18 19  2  0
 19  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11902

> <plate>
PLATE 012

> <well>
H2

> <supplier_cmpd_name>
Sulfamethoxypyridazine

> <ctcr_id>
3486

> <supplier_cmpd_id>
T0844

> <smiles>
COc1ccc(N[S](=O)(=O)c2ccc(N)cc2)nn1

> <pd_targets>
{AMPC,LMNA,SMN1,FOLP}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Epigenetic regulator",Hydrolase,Reader,Transferase,"Methyl-lysine/arginine binding protein","Tudor domain"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle","Metabolism of RNA",Mitotic,"Metabolism of non-coding RNA","M Phase","snRNP Assembly","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation o
f Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{sulfamethoxypyridazine,80-35-3,80353,Sulphamethoxypyridazine,Midicel,Sulfapyridazine,Sulfalex,Sulfametoxipiridazine,Spofadazine,Sulfdurazin,Longin,3-Sulfa-6-methoxypyridazine,3Sulfa6methoxypyridazine
,Depovernil,Lederkyn,Lisulfen,Petrisul,Piridolo,Quinoseptyl,Reta,T0844,1501156,Prestw-724,Sulfamethoxypyridazine,SULFAMETHOXYPYRIDAZINE}

> <pdid>
PD001487

> <targets>
{Antibiotic,Bacterial,PD-1/PD-L1}

> <classes>
{antibacterial,Anti-infection,Immunology/Inflammation}

> <pubchem_cids>
{5330}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 10  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    1.3000    2.2500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0  2  0  0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  5
    7.7992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
M  CHG  2   2   1  10  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11903

> <plate>
PLATE 012

> <well>
H3

> <supplier_cmpd_name>
L(-)-Carnitine

> <ctcr_id>
5814

> <supplier_cmpd_id>
T0846

> <smiles>
C[N+](C)(C)C[C@H](O)CC([O-])=O

> <pd_targets>
{AMPC,CPT2,CPT1B,CPT1A,SLC22A16}

> <pathway_gtopdb>
{Enzyme,Hydrolase,Transferase,Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters","Organic zwitterions/cation transporters (OCTN)"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Carnitine metabolism","Transport of small molecules","SLC-mediated transmembrane transport","Transport of bile salts and organic acids","met
al ions and amine compounds","Organic cation/anion/zwitterion transport","Organic cation transport"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{L-carnitine,Lcarnitine,Levocarnitine,541-15-1,541151,"vitamin BT",(R)-Carnitine,(R)Carnitine,Carnitor,(-)-Carnitine,()Carnitine,(-)-L-Carnitine,()LCarnitine,Karnitin,L-(-)-Carnitine,L()Carnitine,Carn
itene,bicarnesine,Levocarnitina,Metina,"L-Carnitine inner salt","LCarnitine inner salt",Levocarnitinum,Carniking,Carnilean,Carnitine,T0846,T0743,1505437,L(-)-Carnitine,DL-Carnitine,LEVOCARNITINE}

> <pdid>
PD000410

> <targets>
{}

> <classes>
{"cofactor for fatty acid metabolism","replenisher in arterial disease"}

> <pubchem_cids>
{10917}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
   -2.1929   -3.7413    0.0000 C   0  0
   -0.7292   -4.0692    0.0000 C   0  0
   -0.2816   -5.5018    0.0000 C   0  0
   -1.2977   -6.6063    0.0000 C   0  0
   -0.8500   -8.0388    0.0000 C   0  0
   -1.8656   -9.1428    0.0000 O   0  0
    0.6137   -8.3668    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    3.8971    0.7500    0.0000 O   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  1  6
 22 24  1  0
 24 12  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27  8  1  0
 27 11  1  0
 27 28  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11904

> <plate>
PLATE 012

> <well>
H4

> <supplier_cmpd_name>
Chenodeoxycholic acid

> <ctcr_id>
7788

> <supplier_cmpd_id>
T0847

> <smiles>
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CC[C@]4(C)C3CC[C@]12C

> <pd_targets>
{CISD1,SLC10A2,GPBAR1,SLC10A1,NR1H4,AKR1C2,FPR1,KMT2A,MEN1,ABCB11,RXRA}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,"Membrane receptor","Transcription factor",Protease,"Electrochemical transporter","Family A G protein-coupled receptor","Nuclear receptor",Oxidoreductase,"Me
tallo protease","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Metallo protease MAE clan","SLC10 family of sodium-bile acid co-t
ransporters","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group H","Metallo protease M1 family","Steroid-like ligand receptor","Nuclear hormone receptor subfamily
 1 group H member 4","Epigenetic regulator",Reader,"Primary active transporter","Peptide receptor (family A GPCR)",Bromodomain,"ATP-binding cassette","N-formyl methionyl peptide receptor","ABCB subfam
ily"}

> <pathway_chembl>
{Transporters,Receptors,"SLC superfamily of solute carriers","G protein-coupled receptors","Nuclear hormone receptors","SLC10 family of sodium-bile acid co-transporters","Bile acid receptor","1H. Live
r X receptor-like receptors","ATP-binding cassette transporter family","Formylpeptide receptors","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Metabolism of lipids","Infectious disease","Metabolism of steroids","Leishmania infection","Bile acid and bile salt metabolism","Leishmania parasite growth and survival","Recyclin
g of bile acids and salts","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts","ADORA2B mediated anti-inflammatory cytokines production","Synt
hesis of bile acids and bile salts via 27-hydroxycholesterol","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class 
A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors","Formyl peptide receptors bind formyl peptides and many other ligands","Synthesis of bile acids and bile salts via 7alpha-hydroxychol
esterol"}

> <broad_targets>
{AKR1C2,NR1H4}

> <broad_moa>
{"nuclear factor erythroid derived","like (NRF2) activator"}

> <synonyms>
{7425,474-25-9,474259,HMS3369J19,HMS3371K05,AS-13232,AS13232,H680,S1843,"Chenodeoxycholic Acid"}

> <pdid>
PD001561

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{44135443}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
 11  4  1  0
  2 12  1  0
 12 13  1  0
 12 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11905

> <plate>
PLATE 012

> <well>
H5

> <supplier_cmpd_name>
Levodopa

> <ctcr_id>
2347

> <supplier_cmpd_id>
T0848

> <smiles>
N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O

> <pd_targets>
{ALOX15,RECQL,KDM4E,CHRM1,TDP1,HSD17B10,USP2,PYK,HIF1A,FFP,EGFR,FYN,SLC7A5,LCK,DRD3,GPR143,DRD5,DRD2,DRD4,ALD,MAPK1,ALDH1A1,KMT2A,MEN1,MAPT,APEX1,HPGD,BLM,CASP7,HTT,THRB,POLB}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Transcription factor",Transporter,"Unclassified protein","Other cytosolic protein",Oxidoreductase,Eraser,"Family A G protein-coupled receptor",Hydro
lase,Protease,Transferase,Kinase,"Electrochemical transporter",Reader,"Lysine demethylase","Small molecule receptor (family A GPCR)","Cysteine protease","Protein Kinase","SLC superfamily of solute car
riers",Bromodomain,"Jumonji domain-containing","Monoamine receptor","Cysteine protease CA clan","TK protein kinase group","SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)","CMGC
 protein kinase group","Cysteine protease CD clan","Acetylcholine receptor","Cysteine protease C19 family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","SLC07 Cationic am
ino acid transporter/glycoprotein-associated family","Dopamine receptor","CMGC protein kinase MAPK family","Cysteine protease C14 family","Tyrosine protein kinase SrcA","CMGC protein kinase ERK1","Nuc
lear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Eicosanoid turnover","Chromatin modifying enzymes","G protein-coupled receptors","Peptidases and proteinases","Catalytic receptors","SLC superfamily of solute carriers
","Kinases (EC 2.7.x.x)",Lipoxygenases,"1.14.11.- Histone demethylases","Acetylcholine receptors (muscarinic)","CA: Cysteine (C) Peptidases","Receptor kinases","SLC3 and SLC7 families of heteromeric a
mino acid transporters (HATs)","Dopamine receptors","Orphan and other 7TM receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Prostaglandin synthases","CD: Cysteine (C) Peptidases","C19: Ubiqu
itin-specific protease","TK: Tyrosine kinase","SLC7 family","Other 7TM proteins","Mitogen-activated protein kinases (MAP kinases)","C14: Caspase","Receptor tyrosine kinases (RTKs)","Non-receptor tyros
ine kinases (nRTKs)","ERK subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family","Nuclear hormone receptors","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","DNA Repair","Gene expression (Transcription)","Cellular responses to external stimuli",Disease,"Transport of small molecules","Immune System","Neuronal System","Prog
rammed Cell Death","Metabolism of lipids","Signaling by GPCR","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives","RNA Polymerase II Transcription","Cellular responses to stre
ss","Infectious disease","SLC-mediated transmembrane transport","Innate Immune System","Biological oxidations","Transmission across Chemical Synapses","Base Excision Repair",Apoptosis,"Biosynthesis of
 specialized proresolving mediators (SPMs)","GPCR ligand binding","Nonhomologous End-Joining (NHEJ)","Branched-chain amino acid catabolism","Generic Transcription Pathway","Cellular response to hypoxi
a","GPCR downstream signalling","HIV Infection","Transport of inorganic cations/anions and amino acids/oligopeptides","Leishmania infection","Toll-like Receptor Cascades","Phase I - Functionalization 
of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Resolution of Abasic Sites (AP sites)","Homology Directed Repair","Intrinsic Pathway for Apoptosis","Biosynthesis of DP
A-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by TP53","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","G alpha (q) signalling events","
Host Interactions of HIV factors","Amino acid transport across the plasma membrane","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Ethanol oxidation","Activation of N
MDA receptors and postsynaptic events","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Biosynthesis of DHA-derived SPMs","HDR through Homologous Recombination (HRR) or 
Single Strand Annealing (SSA)","Apoptotic factor-mediated response","Biosynthesis of DPAn-3 SPMs","Amine ligand-binding receptors","Regulation of TP53 Activity","Gastrin-CREB signalling pathway via PK
C and MAPK","The role of Nef in HIV-1 replication and disease pathogenesis","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","Post NMDA
 receptor activation events","PCNA-Dependent Long Patch Base Excision Repair","Biosynthesis of D-series resolvins","HDR through Homologous Recombination (HRR)","Cytochrome c-mediated apoptotic respons
e","Biosynthesis of DPAn-3-derived protectins and resolvins","Muscarinic acetylcholine receptors","Regulation of TP53 Expression and Degradation","EGFR Transactivation by Gastrin","Nef and signal tran
sduction","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Dopamine receptors","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase ac
tivation","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Activation of caspases through apoptosome-mediated cleavage","Regulation of TP53 Degradation","Nef Med
iated CD4 Down-regulation","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","ERK/MAPK targets","ERKs are inactivated","Metabolis
m of proteins","Post-translational protein modification",SUMOylation,"Transcriptional Regulation by MECP2","SUMO E3 ligases SUMOylate target proteins","Regulation of MECP2 expression and activity","SU
MOylation of intracellular receptors"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"(2S)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate","(2S)2ammonio3(3,4dihydroxyphenyl)propanoate","L-dopa zwitterion","Ldopa zwitterion",L-dihydroxy-phenylalanine,Ldihydroxyphenylalanine,"(2S)-2-azani
umyl-3-(3,4-dihydroxyphenyl)propanoate","(2S)2azaniumyl3(3,4dihydroxyphenyl)propanoate",CHEBI:57504,A832543,"(2S)-2-azaniumyl-3-(3,4-bis(oxidanyl)phenyl)propanoate","(2S)2azaniumyl3(3,4bis(oxidanyl)ph
enyl)propanoate",levodopa,L-dopa,Ldopa,59-,59,T3227,T0848,2300205,Prestw-17,Danshensu,Levodopa,LEVODOPA}

> <pdid>
PD000068

> <targets>
{}

> <classes>
{antiparkinsonian}

> <pubchem_cids>
{6971033,6047}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0072   -7.5009    0.0000 Cl  0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  3  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11906

> <plate>
PLATE 012

> <well>
H6

> <supplier_cmpd_name>
Pyrimethamine

> <ctcr_id>
258

> <supplier_cmpd_id>
T0849

> <smiles>
CCc1nc(N)nc(N)c1c2ccc(Cl)cc2

> <pd_targets>
{DHFR,DFR1,KMT2A,MEN1,CYP3A4,CYP2D6,HEXA,HEXB,ACP1,DFRA17,CYP1A2,LMNA,ALDH1A1,TP53,SLC47A1,SKA,SLC47A2,CYP2C9,PTR1,SLC22A1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein","Other nuclear protein","Transcription factor",Transporter,Oxidoreductase,Reader,"Cytochrome P450",Hydrolase,Phosphatase,"Electrochemical transpor
ter",Kinase,Bromodomain,"Cytochrome P450 family 3","Cytochrome P450 family 2","Protein Phosphatase","Cytochrome P450 family 1","SLC superfamily of solute carriers","Cytochrome P450 family 3A","Cytochr
ome P450 family 2D","Tyrosine protein phosphatase","Cytochrome P450 family 1A","SLC47 family of multidrug and toxin extrusion transporters","Cytochrome P450 family 2C","SLC22 family of organic cation 
and anion transporters","Cytochrome P450 3A4","Cytochrome P450 2D6","Cytochrome P450 1A1","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Transporters,"1.-.-.- Oxidoreductases","Cytochrome P450","Anti-infective targets","SLC superfamily of solute carriers","CYP3 family","CYP2 family: drug metabolising su
bset","Antimalarial targets","CYP1 family","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Folate biosynthesis enzymes","Organic c
ation transporters (OCT)"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,"Transport of small molecules",Mitotic,"Metabolism of lipids","Biological oxidations","Diseases of metabolism","Cell Cycle Checkpoints","SLC-mediated transmembrane tra
nsport","Mitotic G1 phase and G1/S transition","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Diseases of glycosylation","M Phase","G1/S DNA Da
mage Checkpoints","Transport of bile salts and organic acids","metal ions and amine compounds","G1/S Transition","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Dise
ases associated with glycosaminoglycan metabolism","Mitotic Metaphase and Anaphase","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Organic cation/anion/zwitterion transport","G1/S-Spe
cific Transcription","Biosynthesis of maresins",Xenobiotics,"Defective HEXA causes GM2G1","Mitotic Anaphase","Defective HEXB causes GM2G2","p53-Dependent G1 DNA Damage Response","Organic cation transp
ort","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Initiation of 
Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{DHFR,SLC47A1}

> <broad_moa>
{"dihydrofolate reductase inhibitor"}

> <synonyms>
{pyrimethamine,58-14-0,58140,Daraprim,"5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine","5(4chlorophenyl)6ethylpyrimidine2,4diamine",Chloridine,Diaminopyritamin,Ethylpyrimidine,Pirimetamin,Chloridin,
Chloridyn,Pirimecidan,Pirimetamina,Pyrimethamin,Malocide,Primethamine,Darachlor,Erbaprelina,Kh,T0849,SAM002554921,1500520,Prestw-37,Pyrimethamine,CPD000058714,PYRIMETHAMINE}

> <pdid>
PD001771

> <targets>
{}

> <classes>
{antimalarial}

> <pubchem_cids>
{4993}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 28  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    2.6016    2.9971    0.0000 C   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6078    5.9988    0.0000 C   0  0
    2.6109    7.4996    0.0000 C   0  0
    3.9110    8.2478    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4124    1.8725    0.0000 O   0  0
    7.7117    2.6221    0.0000 P   0  0
    7.7117    4.1221    0.0000 O   0  0
    7.7117    1.1221    0.0000 O   0  0
    9.0109    1.8725    0.0000 O   0  0
   11.5124    1.8725    0.0000 O   0  0
   12.8116    2.6221    0.0000 P   0  0
   12.8116    4.1221    0.0000 O   0  0
   12.8116    1.1221    0.0000 O   0  0
   14.1109    1.8725    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  5 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 13  1  0
 18 19  2  0
 19  3  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  2  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11907

> <plate>
PLATE 012

> <well>
H7

> <supplier_cmpd_name>
Primaquine diphosphate

> <ctcr_id>
2429

> <supplier_cmpd_id>
T0850

> <smiles>
COc1cc(NC(C)CCCN)c2ncccc2c1.O[P](O)(O)=O.O[P](O)(O)=O

> <pd_targets>
{MAOA,MAOB,ABCB11,SHMT2,GROES,GROL,SENP8,NQO2,TST,THRB,KDM4E,CASP1,"REVERSE TRANSCRIPTASE",RAD52,CASP8,DNAB,RECA,CASP6,SLC6A4,CRT,CYP1A2,CASP7,KRT7,CYP2C19,HIF1A,CYP2D6,CYP3A4,LMNA,ALD,ALDH1A1,TP53}

> <pathway_gtopdb>
{Enzyme,Transporter,"Unclassified protein","Transcription factor","Epigenetic regulator","Other nuclear protein",Oxidoreductase,"Primary active transporter",Transferase,Protease,"Nuclear receptor",Era
ser,"Electrochemical transporter","Cytochrome P450","ATP-binding cassette","Cysteine protease","Nuclear hormone receptor subfamily 1","Lysine demethylase","SLC superfamily of solute carriers","Cytochr
ome P450 family 1","Cytochrome P450 family 2","Cytochrome P450 family 3","ABCB subfamily","Cysteine protease CE clan","Nuclear hormone receptor subfamily 1 group A","Jumonji domain-containing","Cystei
ne protease CD clan","SLC06 neurotransmitter transporter family","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cysteine protease C48 
family","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine protease C14 family","Cytochrome P450 1A1","Cytochrome P450 2C19","Cytochrome P450 2D6","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Catecholamine turnover","ATP-binding cassette transporter family","Peptidases and proteinases","Nuclear hormone receptors","Chromatin modifying enzymes","SLC superfami
ly of solute carriers","Cytochrome P450","ABCB subfamily","CE: Cysteine (C) Peptidases","1A. Thyroid hormone receptors","1.14.11.- Histone demethylases","CD: Cysteine (C) Peptidases","SLC6 neurotransm
itter transporter family","CYP1 family","CYP2 family: drug metabolising subset","CYP3 family","C48: Ulp1 endopeptidase","C14: Caspase","Monoamine transporter subfamily"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Gene expression (Transcription)","DNA Repair","Immune System","Neuronal System","Programmed Cell Death","Developmental Biology","Cellular responses to external st
imuli","Cell Cycle","Biological oxidations","Metabolism of lipids","Metabolism of vitamins and cofactors","Post-translational protein modification","Metabolism of amino acids and derivatives","RNA Pol
ymerase II Transcription","DNA Double-Strand Break Repair","Innate Immune System","Transmission across Chemical Synapses",Apoptosis,Keratinization,"Cellular responses to stress",Mitotic,"Cell Cycle Ch
eckpoints","Phase I - Functionalization of compounds","Metabolism of steroids","Metabolism of water-soluble vitamins and cofactors",Deubiquitination,"Sulfur amino acid metabolism",SUMOylation,"Generic
 Transcription Pathway","Homology Directed Repair","Toll-like Receptor Cascades","Neurotransmitter clearance","Intrinsic Pathway for Apoptosis","Formation of the cornified envelope","Cellular response
 to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","G1/S DNA Damage Checkpoints","Amine Oxidase reactions","Bile acid and bile salt metabolism","Metabolism of folate an
d pterines","UCH proteinases","Degradation of cysteine and homocysteine","SUMO E3 ligases SUMOylate target proteins","Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or
 Single Strand Annealing (SSA)","Toll Like Receptor 4 (TLR4) Cascade","Serotonin clearance from the synaptic cleft","Cytochrome P450 - arranged by substrate type","Apoptotic factor-mediated response",
"Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Ethanol oxidation","p53-Dependent G1/S DNA damage checkp
oint","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Synthesis of bile acids and bile salts","Sulfide oxidation to sulfate","SUMOylation of intracellular receptors","TP53 
Regulates Transcription of Cell Death Genes","HDR through Single Strand Annealing (SSA)","MyD88-independent TLR4 cascade",Xenobiotics,"Cytochrome c-mediated apoptotic response","Biosynthesis of maresi
ns","Mitotic Anaphase","p53-Dependent G1 DNA Damage Response","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","TP53 Regulates Transcription of Caspase Activators and Caspases","
TRIF(TICAM1)-mediated TLR4 signaling","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Activation of caspases through apoptosome-mediated cleavage","CYP2E1 reactions","Biosynthesis 
of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Stabilization of p53","TRIF-mediated programmed cell death","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiqu
itin ligase COP1"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"primaquine diphosphate",63-45-6,63456,"PRIMAQUINE PHOSPHATE","Primaquine bisphosphate","Primaquine (Diphosphate)","1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-, phosphate (1:2)","1,4Pentanediami
ne, N4(6methoxy8quinolinyl), phosphate (1:2)","Primaquine phosphate;Primaquine bisphosphate",N4-(6,N4(6,T0850,1500500,Prestw-476,"Primaquine diphosphate","PRIMAQUINE DIPHOSPHATE"}

> <pdid>

> <targets>
{}

> <classes>
{antimalarial}

> <pubchem_cids>
{6135,43834506}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  0  0            999 V2000
    6.5531    0.1409    0.0000 Na  0  3
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 N   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6071    5.9984    0.0000 O   0  0
    0.0092    6.0025    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5524   -4.4208    0.0000 S   0  0
    1.8032   -5.7203    0.0000 O   0  0
    4.0524   -4.4203    0.0000 O   0  0
    3.3030   -5.7195    0.0000 O   0  5
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
  8 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 17  3  1  0
 17  6  1  0
  4 18  1  0
 18 19  2  0
 18 20  2  0
 18 21  1  0
M  CHG  2   1   1  21  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11908

> <plate>
PLATE 012

> <well>
H8

> <supplier_cmpd_name>
Carbazochrome sodium sulfonate

> <ctcr_id>
2137

> <supplier_cmpd_id>
T0852

> <smiles>
[Na+].CN1C(CC2=CC(=NNC(=O)N)C(=O)C=C12)S(=O)(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T0852,S3000,"Carbazochrome sodium sulfonate","Carbazochrome sodium sulfonate (AC-17)"}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{53395145}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0  2  0  0  0
   -4.8896   -2.5354    0.0000 O   0  0
   -6.2433   -1.8893    0.0000 C   0  0  2  0  0  0
   -7.5587   -2.6066    0.0000 C   0  0
   -7.5961   -4.1061    0.0000 O   0  0
   -6.0471   -0.4022    0.0000 C   0  0  1  0  0  0
   -7.1349    0.6307    0.0000 O   0  0
   -4.5721   -0.1292    0.0000 C   0  0  1  0  0  0
   -3.9177    1.2205    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
 10  6  2  0
 11  7  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  1  1
 16 18  1  0
 18 11  1  0
 18 19  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11909

> <plate>
PLATE 012

> <well>
H9

> <supplier_cmpd_name>
Adenosine

> <ctcr_id>
5206

> <supplier_cmpd_id>
T0853

> <smiles>
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O

> <pd_targets>
{AHCY,NS5B,ADCY5,DPP4,TK,KMT2A,MEN1,RXFP1,HIF1A,AMPC,HTT,MAPK1,RORC,CYP3A4,LMNA,ADORA2A,ADORA2B,SLC28A1,ADORA1,ADORA3,GAPDH,AK,SLC28A2,SLC29A1,PI4K2A,PI4K2B,STAT6,DOT1L,PI4KA,PI4KB,SLC28A3,PRKACA,PRKA
CB,PRKAR2A,PRKAR2B,MAP3K7,TRPM4,MAPT,ADK,ADOK}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Transcription factor","Unclassified protein","Other nuclear protein",Hydrolase,Transferase,Lyase,Protease,Reader,"Family A G protein-coupled recepto
r",Kinase,"Nuclear receptor","Cytochrome P450","Serine protease",Bromodomain,"Peptide receptor (family A GPCR)","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Seri
ne protease SC clan","Relaxin-like peptide receptor (family A GPCR)","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Serine protease S9B subfami
ly","Relaxin receptor","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","CMGC protein kinase ERK1",Transporter,"Ion channel","Electrochem
ical transporter",Oxidoreductase,Writer,"Voltage-gated ion channel","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Protein methyltransferase","Transient receptor poten
tial channel","Nucleotide-like receptor (family A GPCR)","SLC28 and SLC29 families of nucleoside transporters","AGC protein kinase group","TKL protein kinase group","Adenosine receptor","SLC28 Na+-cou
pled nucleoside transport family","SLC29 Facilitative nucleoside transporter family","AGC protein kinase PKA family","TKL protein kinase MLK family","TKL protein kinase TAK1 subfamily","Other cytosoli
c protein"}

> <pathway_chembl>
{Enzymes,Receptors,"Adenosine turnover","Cyclic nucleotide turnover/signalling","Peptidases and proteinases","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Cytochrom
e P450","Adenylyl cyclases (ACs)","SC: Serine (S) Peptidases","Relaxin family peptide receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","CYP3 family","S9: 
Prolyl oligopeptidase","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily",Transporters,"Other protein targets","Ion channels","SLC superfamily of solute carriers","Glycerophospholipid t
urnover","Transcription factors","Chromatin modifying enzymes","Catalytic receptors","Voltage-gated ion channels","SLC28 and SLC29 families of nucleoside transporters","Adenosine receptors","Phosphati
dylinositol kinases","STAT transcription factors","2.1.1.43 Histone methyltransferases (HMTs)","Receptor kinases","Transient Receptor Potential channels","SLC28 family","SLC29 family","TKL: Tyrosine k
inase-like","Mixed Lineage Kinase (MLK) family","TAK1 subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Metabolism of proteins","Cellular responses to external stimuli","Gene expression (Transcription)","Immune System",Metabolism,"Cell Cycle","Diseases of metabolism","Infecti
ous disease","Transmission across Chemical Synapses","Peptide hormone metabolism","Cellular responses to stress","RNA Polymerase II Transcription","Innate Immune System","Metabolism of lipids",Mitotic
,"Metabolic disorders of biological oxidation enzymes","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Incretin synthesis",secretion,"and inactivation","Leishm
ania infection","Cellular response to hypoxia","Generic Transcription Pathway","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Defective AHCY cause
s Hypermethioninemia with S-adenosylhomocysteine hydrolase deficiency (HMAHCHD)","Potential therapeutics for SARS","GABA receptor activation",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GL
P-1)","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by MECP2","Toll Like Receptor 5 (TLR5) Cascade","
Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","GABA B receptor activation","Anti-inflammatory response favouring Leishmania parasite infectio
n","Regulation of MECP2 expression and activity","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Mitotic Anaphase","Activa
tion of GABAB receptors","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Adenylate cyclase inh
ibitory pathway","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated","Transport of small molecules","Sign
al Transduction","Chromatin organization","SLC-mediated transmembrane transport","Signaling by GPCR","Metabolism of carbohydrates","Chromatin modifying enzymes","Ion channel transport","Transport of v
itamins",nucleosides,"and related molecules","GPCR ligand binding","Glucose metabolism","Phospholipid metabolism","Cytosolic sensors of pathogen-associated DNA","PKMTs methylate histone lysines","Stim
uli-sensing channels","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane","Class A/1 (Rhodopsin-like receptors)",Gluconeogenesis,"PI Metabolism","STING mediated 
induction of host immune responses","Toll Like Receptor 4 (TLR4) Cascade","TRP channels","Nucleotide-like (purinergic) receptors","Synthesis of PIPs at the early endosome membrane","STAT6-mediated ind
uction of chemokines","MyD88-independent TLR4 cascade","Adenosine P1 receptors","TRIF(TICAM1)-mediated TLR4 signaling","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Activation of NMD
A receptors and postsynaptic events","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs","Metabolism of nucleotides","Nucleotide salvage","Purine salvage"}

> <broad_targets>
{ADA}

> <broad_moa>
{antiviral}

> <synonyms>
{adenosine,58-61-7,58617,Adenocard,Adenoscan,"Adenine riboside",beta-D-Adenosine,betaDAdenosine,Nucleocardyl,Adenosin,Boniton,Sandesin,Myocol,"Adenine nucleoside",Adenocor,beta-Adenosine,betaAdenosine
,9-beta-D-Ribofuranosyladenine,9betaDRibofuranosyladenine,9-beta-D-Ribofuranosidoadenine,9betaDRibofuranosidoadenine,9-beta-D-Ribofurano,9betaDRibofurano,1500107,ADENOSINE}

> <pdid>
PD002089

> <targets>
{}

> <classes>
{"cardiac depressant",antiarrhythmic}

> <pubchem_cids>
{60961}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.1992   -2.9856    0.0000 C   0  0
   -6.5013   -3.7302    0.0000 F   0  0
   -5.1935   -1.4856    0.0000 F   0  0
   -6.4953   -2.2305    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11910

> <plate>
PLATE 012

> <well>
H10

> <supplier_cmpd_name>
Flufenamic acid

> <ctcr_id>
2871

> <supplier_cmpd_id>
T0858

> <smiles>
OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F

> <pd_targets>
{AKR1B10,PTGS2,PTGS1,TRPM4,LMNA,HIF1A,KMT2A,MEN1,AKR1C3,AKR1C2,AKR1C1,AKR1B1,RORC,FTL,HPGD,MPO,AR,TTR,TSHR,CYP1A2,MAPT,FABP2,CYP2C9,ALD,TRPM2,KCNT2,NAPRT,TRPA1,KCNK2,TEAD4,TRPC6,PKD2L1,GJA3,GJC2,GJA8,
GJA9,GJA10,PANX1,PANX2,PANX3,ANO1,GJE1,GJB7,GJB2,GJB6,GJC3,TRPC5,GJB4,GJB3,GJB5,GJD3,GJB1,GJD2,GJA4,GJA5,GJD4,GJA1,GJC1,TRPM5,PPARA,PPARG}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Other nuclear protein","Transcription factor","Epigenetic regulator","Unclassified protein","Secreted protein","Membrane receptor","Other cytosolic protein","Auxiliary transport
 protein",Oxidoreductase,"Voltage-gated ion channel",Reader,"Nuclear receptor","Family A G protein-coupled receptor","Cytochrome P450","Fatty acid binding protein family",Ligase,"Other ion channel","T
ransient receptor potential channel",Bromodomain,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3","Peptide receptor (family A GPCR)","Cytochrome P450 family 1","Cytochrome
 P450 family 2","Potassium channels","Chloride channel","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 3 group C","Glycohormone receptor","Cytochrome P450 family 1A
","Cytochrome P450 family 2C","Two-pore domain potassium channel","Calcium-activated chloride channel","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group F memb
er 3","Nuclear hormone receptor subfamily 3 group C member 4","Cytochrome P450 1A1","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group C member 1","Nuclear hormone receptor subfamily 1 
group C member 3"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Other protein targets","Eicosanoid turnover","Voltage-gated ion channels","1.-.-.- Oxidoreductases","Nuclear hormone receptors",Transthyretin,"G protein-coupled rece
ptors","Cytochrome P450","Fatty acid-binding proteins","Other ion channels",Cyclooxygenase,"Transient Receptor Potential channels","Prostaglandin synthases","1F. Retinoic acid-related orphans","Steroi
d hormone receptors","Glycoprotein hormone receptors","CYP1 family","CYP2 family: drug metabolising subset","Potassium channels","Connexins and Pannexins","Chloride channels","1C. Peroxisome prolifera
tor-activated receptors","3C. 3-Ketosteroid receptors","Calcium- and sodium-activated potassium channels","Two P domain potassium channels","Calcium activated chloride channel"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Cell Cycle","Cellular responses to external stimuli","Gene expression (Transcription)","Vesicle-mediated transport","Immune System","Signal Transduction",Di
sease,"Neuronal System","Developmental Biology","Metabolism of vitamins and cofactors","Metabolism of lipids","Ion channel transport",Mitotic,"Cellular responses to stress","RNA Polymerase II Transcri
ption","Membrane Trafficking","Innate Immune System","Signaling by GPCR","Infectious disease","Biological oxidations","Transmission across Chemical Synapses","Potassium Channels","Nervous system devel
opment","Transmission across Electrical Synapses","Metabolism of fat-soluble vitamins","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism","Stimuli-sensing channels","M
 Phase","Cellular response to hypoxia","Metabolism of steroids","Generic Transcription Pathway","trans-Golgi Network Vesicle Budding","ROS and RNS production in phagocytes","GPCR downstream signalling
","Leishmania infection","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Triglyceride metabolism","Metabolism of water-soluble vitamins an
d cofactors","Tandem pore domain potassium channels","Axon guidance","Gap junction trafficking and regulation","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling path
ways","Electric Transmission Across Gap Junctions","Retinoid metabolism and transport","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","TRP channels","Mitotic Metaphase and Anaphase",
"Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Bile acid and bile salt metabolism","Metabolism of steroid hormones","Transcriptional regulation by RUNX3","Golgi Associated
 Vesicle Biogenesis","Biosynthesis of DHA-derived SPMs","Events associated with phagocytolytic activity of PMN cells","Transcriptional regulation by RUNX2","G alpha (i) signalling events","Leishmania 
parasite growth and survival","Cytochrome P450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events","Triglyceride catabolism","Nicotinate metabolism","TWIK related pota
ssium channel (TREK)","Netrin-1 signaling","Gap junction trafficking",Inflammasomes,"Regulation of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional Regulation by MECP2","Biosynthesis of DPA
n-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Mitotic Anaphase","Synthesis of bile acids and bile salts","Pregnenolone biosynthesis","RUNX3 Regulates Immune Response and Cell Mig
ration","Biosynthesis of D-series resolvins","RUNX2 regulates bone development","Visual phototransduction","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Post NMDA r
eceptor activation events","Nicotinamide salvaging","RUNX3 regulates YAP1-mediated transcription","Role of second messengers in netrin-1 signaling","Gap junction assembly","The NLRP3 inflammasome","Ac
tivation of gene expression by SREBF (SREBP)","MECP2 regulates transcription factors","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","RUNX2 regul
ates osteoblast differentiation","The canonical retinoid cycle in rods (twilight vision)","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkyla
ted by CYP1A2","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Oligomerization of connexins into connexons","Transport of connexons to the plasma membrane","Initiation of Nuclear Envelop
e (NE) Reformation","Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane"}

> <broad_targets>
{AKR1C3,ANO1,AR,GJA1,GJA10,GJA3,GJA4,GJA5,GJA8,GJA9,GJB1,GJB2,GJB3,GJB4,GJB5,GJB6,GJB7,GJC1,GJC2,GJC3,GJD2,GJD3,GJD4,GJE1,PANX1,PANX2,PANX3,PKD2L1,PTGS1,PTGS2,TRPC5,TRPM2,TRPM5}

> <broad_moa>
{"chloride channel blocker"}

> <synonyms>
{"flufenamic acid",530-78-9,530789,Arlef,"Fluphenamic acid",Nichisedan,Achless,"N-(3-Trifluoromethylphenyl)anthranilic acid","N(3Trifluoromethylphenyl)anthranilic acid",Flufacid,Fullsafe,Lanceat,Paraf
lu,Plostene,Tecramine,Parlef,Parlif,Surika,Flufenaminsaeure,T0858,1501015,Prestw-203,"Flufenamic acid","FLUFENAMIC ACID"}

> <pdid>
PD001503

> <targets>
{AMPK,Calcium Channel,Chloride Channel,COX,Parasite,Potassium Channel}

> <classes>
{analgesic,antiinflammatory,Anti-infection,Epigenetics,Immunology/Inflammation,Membrane Transporter/Ion Channel,Neuronal Signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{3371}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11911

> <plate>
PLATE 012

> <well>
H11

> <supplier_cmpd_name>
Fenbufen

> <ctcr_id>
563

> <supplier_cmpd_id>
T0859

> <smiles>
OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2

> <pd_targets>
{CASP1,SMN1,LMNA,PTGS2,CASP4,PTGS1,RAB9A,HIF1A,CASP5,CYP1A2,CASP3,CASP9}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other nuclear protein","Transcription factor",Protease,Reader,Oxidoreductase,Hydrolase,"Cytochrome P450","Cysteine protease","Methyl-lysine/arginine binding protein","C
ytochrome P450 family 1","Cysteine protease CD clan","Tudor domain","Cytochrome P450 family 1A","Cysteine protease C14 family","Cytochrome P450 1A1","Cysteine protease C14A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","Eicosanoid turnover","Cytochrome P450","CD: Cysteine (C) Peptidases",Cyclooxygenase,"CYP1 family","C14: Caspase"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of RNA","Cell Cycle",Metabolism,"Immune System","Signal Transduction","Cellular responses to external stimuli","Programmed Cell Death","RNA Polymerase II
 Transcription","Metabolism of non-coding RNA",Mitotic,"Metabolism of lipids","Innate Immune System","Signaling by Rho GTPases","Cellular responses to stress","Biological oxidations",Apoptosis,"Generi
c Transcription Pathway","snRNP Assembly","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pat
hways","Fatty acid metabolism","Rho GTPase cycle","Cellular response to hypoxia","Phase I - Functionalization of compounds","Intrinsic Pathway for Apoptosis","Transcriptional Regulation by TP53","Mito
tic Metaphase and Anaphase","Biosynthesis of DPA-derived SPMs","NOD1/2 Signaling Pathway","Arachidonic acid metabolism","RHOBTB GTPase Cycle","Oxygen-dependent proline hydroxylation of Hypoxia-inducib
le Factor Alpha","Cytochrome P450 - arranged by substrate type","Apoptotic factor-mediated response","TP53 Regulates Transcription of Cell Death Genes","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs"
,"Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","RHOBTB3 ATPase cycle",Xenobiotics,"Cytochrome c-mediated apoptotic response","TP53 Regulates Transcription of Caspase Activators and Caspases
","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Activation of caspases through apoptosome-mediated cleavage","Formation of apoptosome","Initiat
ion of Nuclear Envelope (NE) Reformation","Regulation of the apoptosome activity"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{36330-85-5,36330855,Lederfen,Cinopal,Bufemid,Napanol,"4-(4-Biphenylyl)-4-oxobutyric acid","4(4Biphenylyl)4oxobutyric acid","3-(4-Phenylbenzoyl)propionic acid","3(4Phenylbenzoyl)propionic acid","3-(4-
Biphenylylcarbonyl)propionic acid","3(4Biphenylylcarbonyl)propionic acid","4-((1,1'-biphenyl)-4-yl)-4-oxobutanoic acid","4((1,1'biphenyl)4yl)4oxobutanoic acid",4-(biphenyl-4-yl)-4-oxobutanoic,4(biphen
yl4yl)4oxobutanoic,T0859,1501008,Prestw-218,Fenbufen,FENBUFEN}

> <pdid>
PD001507

> <targets>
{Caspase,COX}

> <classes>
{antiinflammatory,Apoptosis,Immunology/Inflammation}

> <pubchem_cids>
{3335}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1979    1.4986    0.0000 C   0  0  2  0  0  0
   -6.4957    0.7465    0.0000 C   0  0
   -5.2009    2.9995    0.0000 C   0  0
   -3.9031    3.7516    0.0000 O   0  0
   -6.5009    3.7477    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  6  1  0
 11 12  2  0
 12  3  1  0
  8 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 15 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11912

> <plate>
PLATE 013

> <well>
A2

> <supplier_cmpd_name>
(R)-Naproxen

> <ctcr_id>
4878

> <supplier_cmpd_id>
T0855

> <smiles>
COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O

> <pd_targets>
{MAPT,LMNA,TSHR,LEF,PTGS2,PTGS1,PTGDS,AKR1C2,CYP1A2,ALOX5,AKR1C3,LIPE,SLC22A6,AMPC,RAB7A,CDC42,RAB2A,RAC1}

> <pathway_gtopdb>
{"Other cytosolic protein","Other nuclear protein","Membrane receptor",Enzyme,Transporter,"Family A G protein-coupled receptor",Protease,Oxidoreductase,Isomerase,"Cytochrome P450",Hydrolase,"Electroch
emical transporter","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 1","SLC superfamily of solute carriers","Glycohormone receptor","Metallo protease MAE clan","Cytochrom
e P450 family 1A","SLC22 family of organic cation and anion transporters","Metallo protease M34 family","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Eicosanoid turnover","Cytochrome P450",Hydrolases,"SLC superfamily of solute carriers","Glycoprotein hormone receptors",Cyclooxygenase,"P
rostaglandin synthases","CYP1 family",Lipoxygenases,"SLC22 family of organic cation and anion transporters","Organic anion transporters (OATs)"}

> <pathway_reactome>
{"Neuronal System","Cell Cycle",Disease,Metabolism,"Transport of small molecules","Transmission across Chemical Synapses",Mitotic,"Infectious disease","Metabolism of lipids","Biological oxidations","S
LC-mediated transmembrane transport","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Leishmania infection","Uptake and actions of bacterial toxins","Biosynthesis of specia
lized proresolving mediators (SPMs)","Fatty acid metabolism","Metabolism of steroids","Phase I - Functionalization of compounds","Triglyceride metabolism","Transport of bile salts and organic acids","
metal ions and amine compounds","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Uptake and function of anthrax toxins
","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Bile acid and bile salt metabolism","Cytochrome P450 - arranged by substrate type","Triglyceride catabolism","Organic cation/anion/z
witterion transport","Post NMDA receptor activation events","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostagl
andins (PG) and Thromboxanes (TX)","Synthesis of bile acids and bile salts",Xenobiotics,"Organic anion transport","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","ADORA2B 
mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of 
DPAn-3-derived 13-series resolvins","Initiation of Nuclear Envelope (NE) Reformation","Developmental Biology","Nervous system development","Infection with Mycobacterium tuberculosis","Axon guidance","
Response of Mtb to phagocytosis","Parasite infection","Mitotic Prophase","Semaphorin interactions","Suppression of phagosomal maturation","Leishmania phagocytosis","Golgi Cisternae Pericentriolar Stac
k Reorganization","Sema4D in semaphorin signaling","Prevention of phagosomal-lysosomal fusion","FCGR3A-mediated phagocytosis","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{NAPROXEN,22204-53-1,22204531,(S)-Naproxen,(S)Naproxen,(+)-Naproxen,(+)Naproxen,Naprosyn,Equiproxen,Naproxene,Aleve,(S)-(+)-Naproxen,(S)(+)Naproxen,"(S)-(+)-2-(6-Methoxy-2-naphthyl)propionic acid","(S
)(+)2(6Methoxy2naphthyl)propionic acid",Laraflex,"(S)-2-(6-methoxynaphthalen-2-yl)propanoic acid","(S)2(6methoxynaphthalen2yl)propanoic acid",d-Naproxen,dNaproxen,Naproxenum,Calosen,Naprosy,T1582,T085
5,1500425,Naproxen,(R)-Naproxen,NAPROXEN(+)}

> <pdid>
PD001844

> <targets>
{}

> <classes>
{analgesic,antiinflammatory,antipyretic}

> <pubchem_cids>
{156391}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 28  0  0  0  0            999 V2000
   11.4972    0.3758    0.0000 H   0  3
    8.9972    0.3758    0.0000 Cl  0  5
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8978   -0.7496    0.0000 C   0  0
   -5.1973   -1.4988    0.0000 F   0  0
   -3.8974    0.7504    0.0000 F   0  0
   -5.1965    0.0010    0.0000 F   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2985    3.7517    0.0000 F   0  0
   -1.2993    3.7504    0.0000 F   0  0
   -0.0007    4.5008    0.0000 F   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
  4 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 13 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11913

> <plate>
PLATE 013

> <well>
A3

> <supplier_cmpd_name>
Mefloquine hydrochloride

> <ctcr_id>
4541

> <supplier_cmpd_id>
T0860

> <smiles>
[H+].[Cl-].OC(C1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F

> <pd_targets>
{KCNH2,TSHR,PFMRK,REP,KDM4E,TP53,CYP2D6,LMNA,CYP1A2,ADORA1,ADORA2A,HTT,FFP,CYP3A4,GLRA1,CYP2C19,AMPC}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor",Enzyme,"Epigenetic regulator","Transcription factor","Other nuclear protein","Unclassified protein","Voltage-gated ion channel","Family A G protein-coupled receptor"
,Kinase,Transferase,Eraser,"Cytochrome P450","Ligand-gated ion channel",Hydrolase,"Potassium channels","Peptide receptor (family A GPCR)","Protein Kinase","Lysine demethylase","Cytochrome P450 family 
2","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Glycine receptor","Voltage-gated potassium channel","Glycohormone receptor","CMGC protein kinase gro
up","Jumonji domain-containing","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 family 3A","Cytochrome P450 family 2C","CMGC protein
 kinase CDK family","Cytochrome P450 2D6","Cytochrome P450 1A1","Adenosine receptor","Cytochrome P450 3A4","Cytochrome P450 2C19"}

> <pathway_chembl>
{"Ion channels",Receptors,"Other protein targets",Enzymes,"Voltage-gated ion channels","G protein-coupled receptors","Anti-infective targets","Chromatin modifying enzymes","Cytochrome P450","Ligand-ga
ted ion channels","Potassium channels","Glycoprotein hormone receptors","Viral protein targets","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset","CYP1 family","Adenosine recept
ors","CYP3 family","Glycine receptors","Voltage-gated potassium channels","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Muscle contraction",Disease,"Cell Cycle",Metabolism,"Signal Transduction","Gene expression (Transcription)","Neuronal System","Cardiac conduction","Infectious disease","Cell Cycle Checkpoints","Biol
ogical oxidations",Mitotic,"Signaling by GPCR","RNA Polymerase II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","Phase 3 - rapid repolarisation","Leishmania infection",
"SARS-CoV Infections","G1/S DNA Damage Checkpoints","Phase I - Functionalization of compounds","M Phase","GPCR ligand binding","Generic Transcription Pathway","Biosynthesis of specialized proresolving
 mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania parasite growth and survival","SARS-CoV-2 Infection","p53-Dependent G1/S DNA damage checkpoint","Cytoch
rome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","SARS-CoV-1 Infection","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by MECP2","Biosynthesis of DHA-derive
d SPMs","Anti-inflammatory response favouring Leishmania parasite infection","SARS-CoV-2 Genome Replication and Transcription","p53-Dependent G1 DNA Damage Response",Xenobiotics,"Mitotic Anaphase","SA
RS-CoV-1 Genome Replication and Transcription","Nucleotide-like (purinergic) receptors","Regulation of MECP2 expression and activity","Biosynthesis of maresins","ADORA2B mediated anti-inflammatory cyt
okines production","Replication of the SARS-CoV-2 genome","Stabilization of p53","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Replication of the SARS-CoV-1 genome","Aromatic amines can be N-
hydroxylated or N-dealkylated by CYP1A2","Adenosine P1 receptors","Biosynthesis of maresin-like SPMs","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation
"}

> <broad_targets>
{}

> <broad_moa>
{"adenosine receptor antagonist","hemoglobin antagonist"}

> <synonyms>
{RESTW12,"Mefloquine hydrochloride",51773-92-3,51773923,"51773-92-3 (HCl)","51773923 (HCl)","Mephaquin; Racemic mefloquine; Ro 21-5998; WR 142490","Mephaquin; Racemic mefloquine; Ro 215998; WR 142490"
,"Ro 21-5998/001","Ro 215998/001",TCMDC-124288,TCMDC124288,SR-05000001820,SR05000001820,Prestwick_538,Prestwick538,Prestwick-538,"Prestwick 538",Mefloquinehydrochloride,SCHEMBL41095,MLS002154206,CHEMB
L535650,HMS1568I14,1503070,Prestw-126,MEFLOQUINE}

> <pdid>
PD010082

> <targets>
{}

> <classes>
{antimalarial}

> <pubchem_cids>
{44326656,441362,57516060}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 74 76  0  0  0  0            999 V2000
   -1.2961    2.2531    0.0000 C   0  0
   -1.2982    0.7531    0.0000 C   0  0
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3000   -2.2500    0.0000 C   0  0
    2.6000   -1.5000    0.0000 C   0  0
    3.9000   -2.2500    0.0000 C   0  0
    5.2000   -1.5000    0.0000 C   0  0
    6.5000   -2.2500    0.0000 C   0  0
    6.5000   -3.7500    0.0000 O   0  0
    7.8000   -1.5000    0.0000 C   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    5.2000    3.0000    0.0000 C   0  0
    3.9000    2.2500    0.0000 C   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    0.0011    3.0002    0.0000 O   0  0
    1.3000    0.7500    0.0000 O   0  0
    3.9000    0.7500    0.0000 O   0  0
    5.2000    4.5000    0.0000 C   0  0
    7.7982    3.0031    0.0000 O   0  0
    7.7961    4.5039    0.0000 C   0  0
    9.0925    5.2585    0.0000 C   0  0
    9.0873    6.7585    0.0000 C   0  0
    7.7856    7.5040    0.0000 C   0  0
    6.4892    6.7495    0.0000 C   0  0
    6.4944    5.2495    0.0000 O   0  0
    5.1876    7.4950    0.0000 C   0  0
    7.7773    9.0048    0.0000 O   0  0
    6.4739    9.7489    0.0000 C   0  0
    6.4635   11.2489    0.0000 C   0  0
    5.1592   11.9898    0.0000 C   0  0
    3.8654   11.2309    0.0000 C   0  0
    3.8758    9.7309    0.0000 C   0  0
    5.1800    8.9899    0.0000 O   0  0
    2.5820    8.9719    0.0000 C   0  0
    2.5612   11.9718    0.0000 O   0  0
    3.8379   12.6998    0.0000 C   0  0
    6.4705   12.7182    0.0000 O   0  0
   10.3829    7.5161    0.0000 N   0  0
   10.3755    9.0161    0.0000 C   0  0
   11.6858    6.7729    0.0000 C   0  0
   10.3941    4.5131    0.0000 O   0  0
    5.0225    0.4863    0.0000 C   0  0
    4.0547    1.6334    0.0000 C   0  0
    2.5780    1.3699    0.0000 O   0  0
    9.0989   -2.2502    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
   -1.2982   -2.2531    0.0000 C   0  0
   -1.2961   -3.7539    0.0000 O   0  0
   -2.5943   -4.5070    0.0000 C   0  0
   -2.5943   -6.0070    0.0000 C   0  0
   -3.8933   -6.7571    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -5.1924   -4.5071    0.0000 C   0  0
   -3.8934   -3.7571    0.0000 O   0  0
   -6.4915   -3.7572    0.0000 C   0  0
   -6.4914   -6.7572    0.0000 O   0  0
   -3.8964   -8.2579    0.0000 O   0  0
   -5.1964   -9.0061    0.0000 C   0  0
   -1.2961   -6.7601    0.0000 O   0  0
   -1.2982   -8.2601    0.0000 C   0  0
   18.0864    2.2261    0.0000 C   0  0
   16.7864    1.4761    0.0000 C   0  0
   15.4864    2.2261    0.0000 C   0  0
   14.1871    1.4766    0.0000 O   0  0
   15.4864    3.7261    0.0000 O   0  0
   16.7864   -0.0239    0.0000 O   0  0
   19.3864    1.4761    0.0000 C   0  0
   20.6857    2.2257    0.0000 O   0  0
   19.3864   -0.0239    0.0000 O   0  0
   18.0864    3.7261    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20  3  1  0
 16 21  1  0
 15 22  1  0
 14 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 28 30  1  0
 27 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
 36 38  1  0
 35 39  1  0
 34 40  1  0
 34 41  1  0
 26 42  1  0
 42 43  1  0
 42 44  1  0
 25 45  1  0
 13 46  1  0
 46 47  1  0
 47 48  2  0
 11 49  1  0
  6 50  1  0
  4 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 53  1  0
 57 59  1  0
 56 60  1  0
 55 61  1  0
 61 62  1  0
 54 63  1  0
 63 64  1  0
 65 66  1  0
 66 67  1  0
 67 68  2  0
 67 69  1  0
 66 70  1  0
 65 71  1  0
 71 72  2  0
 71 73  1  0
 65 74  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11914

> <plate>
PLATE 013

> <well>
A4

> <supplier_cmpd_name>
Tylosin tartrate

> <ctcr_id>
4758

> <supplier_cmpd_id>
T0861

> <smiles>
CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.C(C(C(=O)O)O)(C(=O)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"tylosin tartrate",74610-55-2,74610552,"74610 55 2",S3162,"Tylosin tartrate"}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{155885870}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 25  0  0  0  0            999 V2000
   12.7875   -3.3818    0.0000 H   0  3
   10.2875   -3.3818    0.0000 Cl  0  5
    2.5909   -6.0056    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0076    0.0000 C   0  0
    5.1958   -1.5068    0.0000 C   0  0
    6.4962   -0.7574    0.0000 N   0  0
    6.5004    0.7426    0.0000 C   0  0
    7.8016    1.4889    0.0000 C   0  0
    9.0985    0.7352    0.0000 C   0  0
    9.0942   -0.7648    0.0000 C   0  0
    7.7931   -1.5111    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1863   -7.5109    0.0000 C   0  0
    6.4838   -8.2636    0.0000 C   0  0
    7.7844   -7.5162    0.0000 C   0  0
    7.7875   -6.0162    0.0000 C   0  0
    6.4900   -5.2636    0.0000 C   0  0
    2.5927   -4.5054    0.0000 C   0  0
    1.2925   -5.2533    0.0000 C   0  0
   -0.0054   -4.5013    0.0000 C   0  0
   -0.0030   -3.0013    0.0000 C   0  0
    1.2972   -2.2533    0.0000 C   0  0
    2.5951   -3.0054    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
  4 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  4 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11915

> <plate>
PLATE 013

> <well>
A5

> <supplier_cmpd_name>
Diphenidol hydrochloride

> <ctcr_id>
1070

> <supplier_cmpd_id>
T0862

> <smiles>
[H+].[Cl-].OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3

> <pd_targets>
{LMNA,MAPK1,ADRA1B,SCN1A,SCN2A,SCN3A,CYP2D6,KDM4E,CHRM4,CHRM5,CHRM1,HTR2A,SIGMAR1,DRD3,DRD2,CHRM2,CHRM3}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Membrane receptor","Ion channel","Epigenetic regulator",Kinase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Cytochrome P450",Eraser,"Protein Kina
se","Small molecule receptor (family A GPCR)","Voltage-gated sodium channel","Cytochrome P450 family 2","Lysine demethylase","CMGC protein kinase group","Monoamine receptor","Cytochrome P450 family 2D
","Jumonji domain-containing","CMGC protein kinase MAPK family","Adrenergic receptor","Cytochrome P450 2D6","Acetylcholine receptor","Serotonin receptor","Dopamine receptor","CMGC protein kinase ERK1"
}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cytochrome P450","Chromatin modifying enzymes","Sigma receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK 
families",Adrenoceptors,"CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","Acetylcholine receptors (muscarinic)","5-Hydroxytryptamine receptors","Dopamine receptors","Mitogen-ac
tivated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Signal Transduction",Metabolism,Disease,Mitotic,"Innate Immune System","Signaling by GPCR","Biological oxidations","Infectious disease","M Phase","Toll-like Receptor Cas
cades","GPCR ligand binding","Phase I - Functionalization of compounds","SARS-CoV Infections","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin-like receptor
s)","Cytochrome P450 - arranged by substrate type","Potential therapeutics for SARS","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Amine ligand-binding receptors",Xenobiotics,"Nucle
ar Envelope (NE) Reassembly","MAP kinase activation",Adrenoceptors,"CYP2E1 reactions","Muscarinic acetylcholine receptors","Serotonin receptors","Dopamine receptors","Initiation of Nuclear Envelope (N
E) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{SCHEMBL15531902,AKOS026749965,3254-89-5,3254895,"Diphenidol hydrochloride","difenidol hydrochloride","1,1-Diphenyl-4-(piperidin-1-yl)butan-1-ol hydrochloride","1,1Diphenyl4(piperidin1yl)butan1ol hydr
ochloride","Diphenidol HCl",Celmidol,Satanolon,Verterge,Ansmin,Cephadol,Cerrosa,Maniol,Y,Prestw-252}

> <pdid>
PD009949

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{44448670,90013385,66266}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    7.0533   -0.4702    0.0000 O   0  0
    6.4430   -1.8405    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0  1  0  0  0
    3.9511   -0.8815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0  2  0  0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0  2  0  0  0
    4.8089   -4.6669    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  7  8  1  1
  5  9  1  6
  9 10  1  0
 10 11  2  3
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16  9  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11916

> <plate>
PLATE 013

> <well>
A6

> <supplier_cmpd_name>
Dendrid

> <ctcr_id>
3055

> <supplier_cmpd_id>
T0863

> <smiles>
OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(F)C(=O)NC2=O

> <pd_targets>
{SMN1,MAPT,TMK,TK1,ALDH1A1,TP53,CHRM1,KMT2A,MEN1,MTOR,TYMS,LMNA,TGR,SKA,UL23}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Enzyme,"Transcription factor","Membrane receptor",Reader,Transferase,Oxidoreductase,"Family A G protein-coupled receptor",Kinase,"Methyl-lysine/argini
ne binding protein","Small molecule receptor (family A GPCR)",Bromodomain,"Protein Kinase","Tudor domain","Monoamine receptor","Atypical protein kinase group","Acetylcholine receptor","Atypical protei
n kinase PIKK family","Atypical protein kinase FRAP subfamily","Other nuclear protein"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Acetylcholine receptors (muscarinic)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"
,"2.1.1.- Methyltransferases"}

> <pathway_reactome>
{"Metabolism of RNA","Neuronal System","Cell Cycle",Metabolism,"Signal Transduction","Gene expression (Transcription)","Metabolism of non-coding RNA","Transmission across Chemical Synapses",Mitotic,"B
iological oxidations","Cell Cycle Checkpoints","Signaling by GPCR","RNA Polymerase II Transcription","snRNP Assembly","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G1 phas
e and G1/S transition","Phase I - Functionalization of compounds","G1/S DNA Damage Checkpoints","GPCR ligand binding","Generic Transcription Pathway","Activation of NMDA receptors and postsynaptic eve
nts","G1/S Transition","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by TP53","Post NMDA receptor activation events"
,"G1/S-Specific Transcription","p53-Dependent G1 DNA Damage Response","Amine ligand-binding receptors","Regulation of TP53 Activity","Activation of AMPK downstream of NMDARs","Stabilization of p53","M
uscarinic acetylcholine receptors","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","M Phase","Mitotic Metaphase and A
naphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA directed DNA polymerase inhibitor","DNA synthesis inhibitor"}

> <synonyms>
{136353-77-0,136353770,floxuridine,50-91-9,50919,5-Fluorodeoxyuridine,5Fluorodeoxyuridine,2'-Deoxy-5-fluorouridine,2'Deoxy5fluorouridine,Fluorodeoxyuridine,FUDR,5-Fluoro-2'-deoxyuridine,5Fluoro2'deoxy
uridine,"Fluoruridine deoxyribose",Floxuridin,Deoxyfluorouridine,5FdU,FdUrd,Floxuridinum,Floxiridina,5-Fluoro-2-desoxyuridin,5Fluoro2desoxyuridin,T0863,T0964,T6794,Prestw-1415,Dendrid,Floxuridine,Brom
odeoxyuridine}

> <pdid>
PD001094

> <targets>
{Apoptosis,Bacterial,CMV,DNA/RNA Synthesis,HSV,Nucleoside Antimetabolite/Analog}

> <classes>
{Anti-infection,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5790}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 I   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -7.7988    1.4819    0.0000 I   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 O   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -5.1851   -3.0091    0.0000 I   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 I   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 10  1  0
  8 19  1  0
 19 20  1  0
 19 21  2  0
 21  4  1  0
  2 22  1  0
 22 23  1  0
 22 24  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11917

> <plate>
PLATE 013

> <well>
A7

> <supplier_cmpd_name>
L-Thyroxine

> <ctcr_id>
1496

> <supplier_cmpd_id>
T0864

> <smiles>
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O

> <pd_targets>
{LMNA,THRB,KMT2A,MEN1,TTR,MDH2,NR1I2,NR1H4,SLCO4C1,UGT1A1,THRA,CYP1A2,HSD17B10,ALD,CYP2C9,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,SLCO1C1,MAPT,ALOX15,CYP3A4,ALDH1A1,USP2,MIF}

> <pathway_gtopdb>
{"Other nuclear protein","Transcription factor","Epigenetic regulator","Secreted protein",Enzyme,Transporter,"Nuclear receptor",Reader,Oxidoreductase,"Electrochemical transporter",Transferase,"Nuclear
 hormone receptor subfamily 1",Bromodomain,"SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor 
subfamily 1 group H","SLC21/SLCO family of organic anion transporting polypeptides","Nuclear hormone receptor subfamily 1 group A member 2","Nuclear hormone receptor subfamily 1 group I member 2","Nuc
lear hormone receptor subfamily 1 group H member 4","Nuclear hormone receptor subfamily 1 group A member 1","Ion channel","Cytochrome P450","Ligand-gated ion channel","Cytochrome P450 family 1","Cytoc
hrome P450 family 2","Ionotropic glutamate receptor","Cytochrome P450 family 1A","Cytochrome P450 family 2C","NMDA receptor","Cytochrome P450 1A1","Cytochrome P450 2C9","Other cytosolic protein",Prote
ase,Isomerase,"Cytochrome P450 family 3","Cysteine protease","Cytochrome P450 family 3A","Cysteine protease CA clan","Cytochrome P450 3A4","Cysteine protease C19 family"}

> <pathway_chembl>
{Receptors,"Other protein targets",Transporters,Enzymes,"Nuclear hormone receptors",Transthyretin,"SLC superfamily of solute carriers","UDP glucuronosyltransferases (UGT)","1A. Thyroid hormone recepto
rs","1I. Vitamin D receptor-like receptors","1H. Liver X receptor-like receptors","SLCO family of organic anion transporting polypeptides","Cytochrome P450","CYP1 family","CYP2 family: drug metabolisi
ng subset","Eicosanoid turnover","Peptidases and proteinases",Lipoxygenases,"CYP3 family","CA: Cysteine (C) Peptidases","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Cell Cycle","Metabolism of proteins","Signal Transduction",Metabolism,"Transport of small molecules",Disease,Mitotic,"Post-translational protein modification","Signaling by GPCR","Metabolism of carb
ohydrates","Metabolism of lipids","SLC-mediated transmembrane transport","Diseases of metabolism","M Phase",SUMOylation,"GPCR downstream signalling","Glucose metabolism","Metabolism of steroids","Tran
sport of vitamins",nucleosides,"and related molecules","Metabolic disorders of biological oxidation enzymes","Mitotic Metaphase and Anaphase","SUMO E3 ligases SUMOylate target proteins","G alpha (i) s
ignalling events",Gluconeogenesis,"Bile acid and bile salt metabolism","Transport of organic anions","Defective UGT1A1 causes hyperbilirubinemia","Mitotic Anaphase","SUMOylation of intracellular recep
tors","Visual phototransduction","Synthesis of bile acids and bile salts","Nuclear Envelope (NE) Reassembly","The canonical retinoid cycle in rods (twilight vision)","Synthesis of bile acids and bile 
salts via 27-hydroxycholesterol","Initiation of Nuclear Envelope (NE) Reformation","Biological oxidations","Metabolism of amino acids and derivatives","Phase I - Functionalization of compounds","Branc
hed-chain amino acid catabolism","Cytochrome P450 - arranged by substrate type",Xenobiotics,"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions","Neuronal System","Gen
e expression (Transcription)","Immune System","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Neurotransmitter receptors and postsynapt
ic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","Signaling by Interleukins","Activation of NMDA receptors and postsynaptic events","
Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Transcriptional Regulation by TP53","Interleukin-12 family signaling","Post NMDA receptor activation events","
Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresins","Regulation of TP53 Activity","Interleukin-12 signaling","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins an
d resolvins","Biosynthesis of maresin-like SPMs","Regulation of TP53 Expression and Degradation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Regulation of TP5
3 Degradation"}

> <broad_targets>
{THRA,THRB}

> <broad_moa>
{"thyroid hormone stimulant"}

> <synonyms>
{"L-thyroxine zwitterion","Lthyroxine zwitterion",CHEBI:58448,BDBM408980,"US10377729, T4",L-thyroxine,Lthyroxine,levothyroxine,51-48-9,51489,thyroxine,thyroxin,Tetraiodothyronine,Thyrax,"3,3',5,5'-Tet
raiodo-L-thyronine","3,3',5,5'TetraiodoLthyronine",synthroid,Thyratabs,Thyreoideum,Thyroxinal,"Thyroxine iodine",Le,T0864,SAM002264651,1500774,Prestw-403,L-Thyroxine,CPD000059176,LEVOTHYROXINE,"Thyrox
ine (L)"}

> <pdid>
PD001584

> <targets>
{}

> <classes>
{antihypercholesterimic,thyromimetic}

> <pubchem_cids>
{25201348,5819}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
   11.6982   -0.7323    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6131   -7.4988    0.0000 C   0  0
   -3.9147   -8.2443    0.0000 C   0  0
   -5.2111   -7.4898    0.0000 C   0  0
   -5.2060   -5.9898    0.0000 C   0  0
   -3.9043   -5.2443    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11918

> <plate>
PLATE 013

> <well>
A8

> <supplier_cmpd_name>
Propafenone

> <ctcr_id>
1674

> <supplier_cmpd_id>
T0866

> <smiles>
CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2

> <pd_targets>
{LMNA,CYP3A4,ADRB1,ADRB2,KCNA5,KCNH2,ABCB11,ABCB1,ADRA1B,ADRA1A,PMP22,KMT2A,MEN1,HTR1A,HTR2B,HTR2C,HTR6,KCNK3,SLC22A1,SLC6A2,CACNA1C,SLC6A3,SCN5A,CYP1A2,ADRB3,HTR2A,SIGMAR1,KCNK2,MTOR,CYP2D6,ABCC9,KCN
J11,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN7A,SCN8A,SCN9A,NPSR1,NFO,CHRM1,HIF1A,THPO,TSHR,TP53}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Membrane receptor","Ion channel",Transporter,"Unclassified protein","Epigenetic regulator","Cytochrome P450","Family A G protein-coupled receptor","Voltage-gated ion c
hannel","Primary active transporter",Reader,"Electrochemical transporter",Kinase,"Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Potassium channels","ATP-binding cassette",Bromod
omain,"SLC superfamily of solute carriers","Voltage-gated calcium channel","Voltage-gated sodium channel","Cytochrome P450 family 1","Protein Kinase","Cytochrome P450 family 2","Cytochrome P450 family
 3A","Monoamine receptor","Voltage-gated potassium channel","ABCB subfamily","Two-pore domain potassium channel","SLC22 family of organic cation and anion transporters","SLC06 neurotransmitter transpo
rter family","Cytochrome P450 family 1A","Atypical protein kinase group","Cytochrome P450 family 2D","Inwardly rectifying potassium channel","Cytochrome P450 3A4","Adrenergic receptor","Serotonin rece
ptor","Cytochrome P450 1A1","Atypical protein kinase PIKK family","Cytochrome P450 2D6","Atypical protein kinase FRAP subfamily","Transcription factor",Hydrolase,"Peptide receptor (family A GPCR)","Sh
ort peptide receptor (family A GPCR)","Glycohormone receptor","Neuropeptide receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels",Transporters,"Other protein targets","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","ATP-binding cassette transporter family","SLC super
family of solute carriers","Sigma receptors","Kinases (EC 2.7.x.x)","CYP3 family",Adrenoceptors,"Potassium channels","ABCB subfamily","5-Hydroxytryptamine receptors","SLC22 family of organic cation an
d anion transporters","SLC6 neurotransmitter transporter family","Voltage-gated calcium channels","Voltage-gated sodium channels","CYP1 family",Atypical,"CYP2 family: drug metabolising subset","Voltag
e-gated potassium channels","Two P domain potassium channels","Organic cation transporters (OCT)","Monoamine transporter subfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRA
P subfamily","Neuropeptide S receptor","Acetylcholine receptors (muscarinic)","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,"Neuronal System","Muscle contraction","Signal Transduction","Developmental Biology","Transport of small molecules","Gene expression (Transcription)",Mitotic,"Metaboli
sm of lipids","Infectious disease","Potassium Channels","Cardiac conduction","Abacavir transport and metabolism","Signaling by GPCR","Nervous system development","SLC-mediated transmembrane transport"
,"Disorders of transmembrane transporters","Biological oxidations","RNA Polymerase II Transcription","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Volta
ge gated Potassium channels","Phase 3 - rapid repolarisation","Metabolism of steroids","Abacavir transmembrane transport","GPCR ligand binding","EGR2 and SOX10-mediated initiation of Schwann cell myel
ination","Tandem pore domain potassium channels","Transport of bile salts and organic acids","metal ions and amine compounds","SLC transporter disorders","Axon guidance","Phase I - Functionalization o
f compounds","SARS-CoV Infections","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Bile acid and bile sal
t metabolism","Class A/1 (Rhodopsin-like receptors)","TWIK-releated acid-sensitive K+ channel (TASK)","Organic cation/anion/zwitterion transport","Defective SLC6A2 causes orthostatic intolerance (OI)"
,"NCAM signaling for neurite out-growth","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","L1CAM interactions","Cytochrome P450 - arranged by substrate type","Potential therapeutics f
or SARS","TWIK related potassium channel (TREK)","Transcriptional Regulation by TP53","Mitotic Anaphase","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection"
,"Synthesis of bile acids and bile salts","Amine ligand-binding receptors","Organic cation transport","NCAM1 interactions","Interaction between L1 and Ankyrins",Xenobiotics,"Regulation of TP53 Activit
y","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholestero
l",Adrenoceptors,"Serotonin receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Regulation of TP53 Expression and Degradation","CYP2E1 reactions","Initiation of Nuclear Enve
lope (NE) Reformation","Regulation of TP53 Degradation","Cellular responses to external stimuli",Hemostasis,"Cellular responses to stress","Platelet activation","signaling and aggregation","Cell Cycle
 Checkpoints","Cellular response to hypoxia","Platelet Aggregation (Plug Formation)","G1/S DNA Damage Checkpoints","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","p53-Depen
dent G1/S DNA damage checkpoint","p53-Dependent G1 DNA Damage Response","Muscarinic acetylcholine receptors","Stabilization of p53","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{ADRB1,ADRB2,KCNA5,KCNH2}

> <broad_moa>
{antiarrhythmic}

> <synonyms>
{propafenone,54063-53-5,54063535,Rythmol,Propafenona,Propafenonum,"Propafenonum (INN-Latin)","Propafenonum (INNLatin)","Propafenona (INN-Spanish)","Propafenona (INNSpanish)",GNF-Pf-4594,GNFPf4594,1-(2
-(2-Hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-1-propanone,1(2(2Hydroxy3(propylamino)propoxy)phenyl)3phenyl1propanone,1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenylpro,1(2(2hydroxy3(prop
ylamino)propoxy)phenyl)3phenylpro,T0866,S2500,SAM002564228,Propafenone,"Propafenone HCl",CPD001453705}

> <pdid>
PD002872

> <targets>
{"Sodium Channel"}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{4932}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4983    0.7413    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
  9 15  1  0
 15 16  2  0
 16  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11919

> <plate>
PLATE 013

> <well>
A9

> <supplier_cmpd_name>
Bufexamac

> <ctcr_id>
6276

> <supplier_cmpd_id>
T0867

> <smiles>
CCCCOc1ccc(CC(=O)NO)cc1

> <pd_targets>
{HIF1A,KDM4E,FTL,HDAC6,CYP1A2,CYP2D6,HDAC10,ALOX5,PTGS1,PTGS2}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator",Enzyme,"Unclassified protein",Eraser,Protease,"Cytochrome P450",Oxidoreductase,"Lysine demethylase","Metallo protease","Histone deacetylase","Cytochrome 
P450 family 1","Cytochrome P450 family 2","Jumonji domain-containing","Metallo protease MAE clan","HDAC class IIb","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Metallo protease M1 family",
"Cytochrome P450 1A1","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","Eicosanoid turnover","1.14.11.- Histone demethylases","3.5.1.- Histone deacetylases (HDACs)","CYP1 family","CYP2 family: drug metabolising sub
set",Lipoxygenases,Cyclooxygenase}

> <pathway_reactome>
{"Cellular responses to external stimuli","Vesicle-mediated transport","Gene expression (Transcription)",Metabolism,Disease,"Cellular responses to stress","Membrane Trafficking","RNA Polymerase II Tra
nscription","Biological oxidations","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Cellular response to hypoxia","trans-Golgi Network Vesicl
e Budding","Generic Transcription Pathway","Phase I - Functionalization of compounds","Signaling by NOTCH1 in Cancer","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism
","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX2","Cytochrome P450 - arranged by substrate type",
"Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","RUNX2 regulates bone development",Xenobiotics,"Constitutive Signaling by NOTCH1
 HD+PEST Domain Mutants","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","RUNX2 regulates osteoblast differentiation","Aromatic amines can be N-hydroxylated or N
-dealkylated by CYP1A2","CYP2E1 reactions","Biosynthesis of DPAn-3-derived 13-series resolvins"}

> <broad_targets>
{HDAC10,HDAC6}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{bufexamac,2438-72-4,2438724,"Bufexamic acid",2-(4-Butoxyphenyl)-N-hydroxyacetamide,2(4Butoxyphenyl)Nhydroxyacetamide,Parfenac,Droxaryl,Feximac,Malipuran,Mofenar,Norfemac,Parfenal,4-Butoxy-N-hydroxybe
nzeneacetamide,4ButoxyNhydroxybenzeneacetamide,Bufexamaco,Bufexamacum,Flogicid,"p-Butoxyphenylacetohydroxamic acid","pButoxyphenylacetohydroxamic acid",Para,T0867,1502003,Prestw-243,Bufexamac,BUFEXAMA
C}

> <pdid>
PD001440

> <targets>
{}

> <classes>
{analgesic,antiinflammatory,antipyretic}

> <pubchem_cids>
{2466}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 35  0  0  1  0            999 V2000
   15.6857    1.9610    0.0000 Cl  0  5
   13.1857    1.9610    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 S   0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 N   0  0
    0.7488    2.7970    0.0000 C   0  0
    0.3606    4.2459    0.0000 O   0  0
    2.0478    2.0470    0.0000 C   0  0  1  0  0  0
    3.4909    2.4367    0.0000 N   0  0
    3.8775    3.8868    0.0000 C   0  0
    2.8152    4.9458    0.0000 O   0  0
    5.3265    4.2781    0.0000 C   0  0
    6.3872    3.2163    0.0000 N   0  0
    5.9990    1.7666    0.0000 O   0  0
    7.0592    0.7054    0.0000 C   0  0
    5.7130    5.7282    0.0000 C   0  0
    7.1060    6.2493    0.0000 N   0  0
    7.0225    7.7470    0.0000 C   0  0
    5.5724    8.1304    0.0000 S   0  0
    4.7596    6.8697    0.0000 C   0  0
    8.1851    8.6949    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 N   0  3
   -1.2809   -2.3599    0.0000 C   0  0
   -0.2755   -3.4730    0.0000 C   0  0
   -1.0234   -4.7733    0.0000 C   0  0
   -2.4911   -4.4637    0.0000 C   0  0
   -3.8928   -3.7562    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8983    0.7459    0.0000 O   0  0
   -2.6030    2.9977    0.0000 O   0  0
   10.6857    1.9610    0.0000 O   0  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  4  1  0
  8  9  1  1
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 12 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 16  2  0
 18 21  1  0
  5 22  1  0
 22 23  2  3
 23 24  1  0
 24  3  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 26  1  0
 26 31  1  0
 22 32  1  0
 32 33  2  0
 32 34  1  0
M  CHG  2   1  -1  26   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11920

> <plate>
PLATE 013

> <well>
A10

> <supplier_cmpd_name>
Cefepime Dihydrochloride Monohydrate

> <ctcr_id>
11079

> <supplier_cmpd_id>
T0868

> <smiles>
[Cl-].Cl.S1[C@H]2N(C(=O)[C@H]2NC(=O)/C(=N\OC)/c2nc(sc2)N)C(=C(C1)C[N+]1(CCCC1)C)C(=O)O.O

> <pd_targets>
{DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease SE clan","Serine protease S11 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{"Cefepime HCl hydrate","cefepime hydrochloride hydrate",123171-59-5,123171595,"cefemine hydrochloride",Q27114286,T0868,"Cefepime Dihydrochloride Monohydrate"}

> <pdid>
PD013185

> <targets>
{PBPs,Fts1}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{5464262}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 20  0  0  1  0            999 V2000
   10.3056    0.0059    0.0000 Cl  0  0
    1.2844    3.7485    0.0000 C   0  0
    2.5857    3.0025    0.0000 N   0  0
    2.5914    1.5017    0.0000 C   0  0
    3.8934    0.7553    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    2.6003   -1.4978    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    5.2003   -1.4933    0.0000 C   0  0
    5.2076   -2.9933    0.0000 C   0  0
    6.5102   -3.7370    0.0000 C   0  0
    7.8056   -2.9808    0.0000 C   0  0
    7.7984   -1.4808    0.0000 C   0  0
    6.4958   -0.7371    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
  6 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11921

> <plate>
PLATE 013

> <well>
A11

> <supplier_cmpd_name>
Atomoxetine hydrochloride

> <ctcr_id>
11080

> <supplier_cmpd_id>
T0869

> <smiles>
Cl.CNCC[C@@H](Oc1ccccc1C)c1ccccc1

> <pd_targets>
{SLC6A4,SLC6A2,SLC6A3,CYP2D6,CYP1A2,TSHR,LEF,CYP3A4,NET,KCNH2,KLF10,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,KCNJ3,OPRK1,BLM,PMP22,LMNA}

> <pathway_gtopdb>
{Transporter,Enzyme,"Membrane receptor","Ion channel","Unclassified protein","Electrochemical transporter","Cytochrome P450","Family A G protein-coupled receptor",Protease,"Voltage-gated ion channel",
"Ligand-gated ion channel","SLC superfamily of solute carriers","Cytochrome P450 family 2","Cytochrome P450 family 1","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 3","
Potassium channels","Ionotropic glutamate receptor","SLC06 neurotransmitter transporter family","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Glycohormone receptor","Metallo protease MAE cl
an","Cytochrome P450 family 3A","Voltage-gated potassium channel","NMDA receptor","Inwardly rectifying potassium channel","Short peptide receptor (family A GPCR)","Cytochrome P450 2D6","Cytochrome P45
0 1A1","Metallo protease M34 family","Cytochrome P450 3A4","Opioid receptor","Other nuclear protein"}

> <pathway_chembl>
{Transporters,Enzymes,Receptors,"Ion channels","SLC superfamily of solute carriers","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","SLC6 neurotransmitter transporter fami
ly","CYP2 family: drug metabolising subset","CYP1 family","Glycoprotein hormone receptors","CYP3 family","Potassium channels","Opioid receptors","Monoamine transporter subfamily","Voltage-gated potass
ium channels","Inwardly rectifying potassium channels"}

> <pathway_reactome>
{"Neuronal System",Disease,Metabolism,"Muscle contraction","Gene expression (Transcription)","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Biological oxidations","
Infectious disease","Metabolism of lipids","Cardiac conduction","RNA Polymerase II Transcription","Neurotransmitter clearance","SLC transporter disorders","Phase I - Functionalization of compounds","L
eishmania infection","Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","Phase 3 - rapid repolarisation","Neurotransmitter receptors and postsynaptic 
signal transmission","Generic Transcription Pathway","Serotonin clearance from the synaptic cleft","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia
 infantile (PKDYS)","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","GABA receptor a
ctivation","Transcriptional Regulation by MECP2",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","GABA B receptor activation","MECP2 regulat
es neuronal receptors and channels","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of mar
esin-like SPMs","Activation of GABAB receptors","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","DNA Repair","Developmental Biology","Cell Cycle","DNA Double-Strand Break Repair"
,"Nervous system development",Mitotic,"Homology Directed Repair","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","HDR through Homologous Recombination (HRR) or Single Strand
 Annealing (SSA)","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","Pres
ynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,SLC6A2,SLC6A3,SLC6A4}

> <broad_moa>
{"norepinephrine transporter inhibitor"}

> <synonyms>
{"Atomoxetine hydrochloride","Atomoxetine HCL",82248-59-7,82248597,Strattera,"TOMOXETINE HYDROCHLORIDE","(R)-Tomoxetine hydrochloride","(R)Tomoxetine hydrochloride","(R)-N-Methyl-3-phenyl-3-(o-tolylox
y)propan-1-amine hydrochloride","(R)NMethyl3phenyl3(otolyloxy)propan1amine hydrochloride","(R)-(-)-Tomoxetine hydrochloride","(R)()Tomoxetine hydrochloride",T0869}

> <pdid>
PD010121

> <targets>
{5-HT,"DA transporter","Norepinephrine (NE) transporter"}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{54840}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
   -1.8778    2.7573    0.0000 C   0  0
   -1.0947    1.4779    0.0000 N   0  0
    0.0000    0.6568    0.0000 C   0  0
   -0.6568   -0.6386    0.0000 C   0  0
   -1.8063   -1.3319    0.0000 C   0  0
   -0.8393    0.0000    0.0000 C   0  0
    0.9488    0.0000    0.0000 C   0  0
    1.8975   -0.8028    0.0000 C   0  0
    1.6421    0.6933    0.0000 C   0  0
    2.6654   -2.0798    0.0000 O   0  0
    4.1661   -2.0555    0.0000 C   0  0
    4.8945   -0.7443    0.0000 O   0  0
    4.9382   -3.3425    0.0000 C   0  0
    4.2067   -4.6529    0.0000 C   0  0
    2.7069   -4.6756    0.0000 O   0  0
    6.4389   -3.3181    0.0000 C   0  0
    7.2125   -4.6033    0.0000 C   0  0
    8.7123   -4.5759    0.0000 C   0  0
    9.4385   -3.2634    0.0000 C   0  0
    8.6649   -1.9783    0.0000 C   0  0
    7.1652   -2.0056    0.0000 C   0  0
   13.2385    0.5412    0.0000 O   0  0
   13.2385   -0.9588    0.0000 S   0  0
   13.2385   -2.4588    0.0000 O   0  0
   11.9392   -1.7084    0.0000 O   0  0
   14.5377   -1.7084    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 23 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11922

> <plate>
PLATE 013

> <well>
B2

> <supplier_cmpd_name>
Atropine sulfate

> <ctcr_id>
2765

> <supplier_cmpd_id>
T0375L2

> <smiles>
CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3.O[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS024366249,MCULE-5981343996,MCULE5981343996,"MCULE 5981343996",ST50999671,HMS1920E15,HMS2091K15,Atropisol,Sulfatropinol,Tropintran,Atropette,Corbella,Davurtrop,Eyesule,Ryuato,"Atropin siran",Ichth
o-bellol,Ichthobellol,"Ichtho bellol",1500131,"ATROPINE SULFATE"}

> <pdid>
PD002296

> <targets>
{}

> <classes>
{anticholinergic,mydriatic}

> <pubchem_cids>
{43834423,17184}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 21  0  0  1  0            999 V2000
   15.3982   -1.1283    0.0000 O   0  0
    3.8926   -3.7566    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0  2  0  0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.2982    0.7467    0.0000 O   0  0
   10.2982   -0.7533    0.0000 C   0  0  2  0  0  0
    8.9982   -1.5033    0.0000 C   0  0  1  0  0  0
    8.9982   -3.0033    0.0000 O   0  0
    7.6982   -0.7533    0.0000 C   0  0
    7.6982    0.7467    0.0000 O   0  0
    6.3990   -1.5029    0.0000 O   0  0
   11.5982   -1.5033    0.0000 C   0  0
   11.5982   -3.0033    0.0000 O   0  0
   12.8975   -0.7537    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 18 20  2  0
 15 21  1  0
 21 22  1  0
 21 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11923

> <plate>
PLATE 013

> <well>
B3

> <supplier_cmpd_name>
Noradrenaline bitartrate

> <ctcr_id>
7431

> <supplier_cmpd_id>
T0871

> <smiles>
O.NC[C@H](O)c1ccc(O)c(O)c1.O[C@H]([C@@H](O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{108341-18-0,108341180,UNII-IFY5PE3ZRW,UNIIIFY5PE3ZRW,"L-Noradrenaline bitartrate monohydrate","LNoradrenaline bitartrate monohydrate",IFY5PE3ZRW,"Norepinephrine bitartrate (USAN:USP)","Norepinephrine
 (bitartrate monohydrate)","Norepinephrine bitartrate hydrate","Norepinephrine bitartrate monohydrate",T0871,T1064,S2615,"Noradrenaline bitartrate","Noradrenaline bitartrate monohydrate"}

> <pdid>

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{3047796}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 21  0  0  0  0            999 V2000
    7.6971   -3.7837    0.0000 H   0  3
    5.1971   -3.7837    0.0000 Cl  0  5
   -0.5529  -10.3163    0.0000 C   0  0
    0.0576   -8.9462    0.0000 N   0  0
    1.5502   -8.7888    0.0000 C   0  0
    2.1626   -7.4186    0.0000 N   0  0
    1.2830   -6.2026    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.0157   -3.6164    0.0000 S   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.0031    2.7742    0.0000 C   0  0
   -1.3040    3.5228    0.0000 N   0  0
   -1.3071    5.0228    0.0000 C   0  0
   -2.6017    2.7705    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
    2.4298  -10.0049    0.0000 C   0  0
    3.9228   -9.8520    0.0000 N   0  3
    4.5362   -8.4832    0.0000 O   0  5
    4.8020  -11.0674    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 13 18  2  0
 18 19  1  0
 19 11  2  0
  5 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
M  CHG  4   1   1   2  -1  21   1  22  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11924

> <plate>
PLATE 013

> <well>
B4

> <supplier_cmpd_name>
Ranitidine Hydrochloride

> <ctcr_id>
6057

> <supplier_cmpd_id>
T0865

> <smiles>
[H+].[Cl-].CNC(/NCCSCc1oc(CN(C)C)cc1)=C/[N+]([O-])=O

> <pd_targets>
{CA2,CA1,HRH2,RAD52,BLM,MAPT,AMPC,NFKB1,TSHR,ATP4A,ATP4B,HIF1A,KMT2A,MEN1,LMNA,CHRM1,ACHE,HSD17B10,SLC47A1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Other cytosolic protein",Transporter,"Transcription factor","Epigenetic regulator",Lyase,"Family A G protein-coupled receptor",Hydrolase,"Primary a
ctive transporter",Reader,Oxidoreductase,"Electrochemical transporter","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","P-type ATPase",Bromodomain,"SLC superfamily of solu
te carriers","Monoamine receptor","Glycohormone receptor","Hydrogen potassium ATPase","SLC47 family of multidrug and toxin extrusion transporters","Histamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Carbonic anhydrases","G protein-coupled receptors","Acetylcholine turnover","SLC superfamily of solute carriers","Histamine receptors","Glycoprotein hormone receptors"
,"Acetylcholine receptors (muscarinic)","SLC47 family of multidrug and toxin extrusion transporters"}

> <pathway_reactome>
{"Transport of small molecules","Immune System",Disease,"DNA Repair","Neuronal System","Cellular responses to external stimuli","Cell Cycle","Signal Transduction",Metabolism,"O2/CO2 exchange in erythr
ocytes","Cytokine Signaling in Immune system","Infectious disease","DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Cellular responses to stress",Mitotic,"Signaling by GPCR","
Metabolism of lipids","Metabolism of amino acids and derivatives","SLC-mediated transmembrane transport","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins","Leishmani
a infection","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","M Phase","GPCR ligand binding","Phospholipid metabolism","Bran
ched-chain amino acid catabolism","Transport of bile salts and organic acids","metal ions and amine compounds","Interleukin-12 family signaling","Leishmania parasite growth and survival","HDR through 
Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Interleukin-1 family signaling","Oxygen-dependent proline hydroxylation of Hypo
xia-inducible Factor Alpha","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Glycerophospholipid biosynthesis","Interleukin-12 signaling","Anti-inflammatory response favouring 
Leishmania parasite infection","HDR through Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events","Interleukin-1 signaling","Mitotic Anapha
se","Amine ligand-binding receptors","Synthesis of PC","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","ADORA2B mediated anti-inflammatory cytokines production","H
omologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors
","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ranitidine hydrochloride",Noctone,66357-59-3,66357593,MLS000069385,MFCD00069339,SMR000058545,71130-06-8,71130068,C13H22N4O3S.HCl,SR-01000000016,SR01000000016,Opera_ID_624,OperaID624,Opera-ID-624,"Op
era ID 624",SCHEMBL33298,MLS001333197,MLS001333198,MLS002153383,MLS002207038,ARONIS24523,Ranitidine,Prestw-201,"Ranitidine hydrochloride"}

> <pdid>
PD009680

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{657344,6603542}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.5721   -0.1292    0.0000 C   0  0
   -6.0471   -0.4022    0.0000 C   0  0
   -7.1349    0.6306    0.0000 O   0  0
   -6.2433   -1.8893    0.0000 C   0  0
   -7.5586   -2.6066    0.0000 C   0  0
   -7.5961   -4.1061    0.0000 O   0  0
   -4.8896   -2.5354    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  2  1  0
 11  7  2  0
  8 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11925

> <plate>
PLATE 013

> <well>
B5

> <supplier_cmpd_name>
Cladribine

> <ctcr_id>
1588

> <supplier_cmpd_id>
T2558

> <smiles>
Nc1nc(Cl)nc2n(cnc12)C3CC(O)C(CO)O3

> <pd_targets>
{NR5A1,ADORA2A,ADORA1,LMNA,RXFP1,RORC,HTT,TP53,RRM1,RRM2,RRM2B,POLA1,POLE,POLE2,POLE3,POLE4,PNP,HSF1,ADCY5}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor","Other nuclear protein","Unclassified protein",Enzyme,"Other cytosolic protein","Nuclear receptor","Family A G protein-coupled receptor",Oxidoreductase,Tran
sferase,"Nuclear hormone receptor subfamily 5","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 5
 group A","Nucleotide-like receptor (family A GPCR)","Relaxin-like peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 5 group A member
 1","Adenosine receptor","Relaxin receptor","Nuclear hormone receptor subfamily 1 group F member 3",Lyase}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","G protein-coupled receptors","1.17.4.1 Ribonucleoside-diphosphate reductases","2.4.2.1 Purine-nucleoside phosphorylase","5A. Fushi tarazu F1-like recept
ors","Adenosine receptors","Relaxin family peptide receptors","1F. Retinoic acid-related orphans","Cyclic nucleotide turnover/signalling","Adenylyl cyclases (ACs)"}

> <pathway_reactome>
{"Metabolism of proteins",Disease,"Signal Transduction","Cell Cycle","Gene expression (Transcription)",Metabolism,"Cellular responses to external stimuli","Post-translational protein modification","In
fectious disease","Signaling by GPCR",Mitotic,"RNA Polymerase II Transcription","Cell Cycle Checkpoints","Metabolism of nucleotides","Cellular responses to stress",SUMOylation,"Leishmania infection","
GPCR ligand binding","M Phase","Generic Transcription Pathway","G1/S DNA Damage Checkpoints","Interconversion of nucleotide di- and triphosphates","Mitotic G1 phase and G1/S transition","Nucleobase ca
tabolism","Cellular response to heat stress","SUMO E3 ligases SUMOylate target proteins","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphas
e","Transcriptional regulation by RUNX3","Transcriptional Regulation by MECP2","p53-Dependent G1/S DNA damage checkpoint","G1/S Transition","Transcriptional Regulation by TP53","Purine catabolism","HS
F1-dependent transactivation","SUMOylation of intracellular receptors","Anti-inflammatory response favouring Leishmania parasite infection","Nucleotide-like (purinergic) receptors","Mitotic Anaphase",
"RUNX3 Regulates Immune Response and Cell Migration","Regulation of MECP2 expression and activity","p53-Dependent G1 DNA Damage Response","G1/S-Specific Transcription","TP53 Regulates Metabolic Genes"
,"E2F mediated regulation of DNA replication","Activation of the pre-replicative complex","Attenuation phase","ADORA2B mediated anti-inflammatory cytokines production","Adenosine P1 receptors","Nuclea
r Envelope (NE) Reassembly","Stabilization of p53","Inhibition of replication initiation of damaged DNA by RB1/E2F1","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiqui
tin ligase COP1","Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","GABA receptor activation","GABA B receptor activation","Ac
tivation of GABAB receptors","Adenylate cyclase inhibitory pathway"}

> <broad_targets>
{ADA,PNP,POLA1,POLE,POLE2,POLE3,POLE4,RRM1,RRM2,RRM2B}

> <broad_moa>
{"adenosine deaminase inhibitor","ribonucleotide reductase inhibitor"}

> <synonyms>
{CHEMBL17639,NSC105014,Leustat,5542-92-7,5542927,2CdA,SMR000857123,NCGC00018167-03,NCGC0001816703,S1199,"Cladribine Impurity D",2-Chloro-2-deoxyadenosine,2Chloro2deoxyadenosine,cid_1546,cid1546,cid-15
46,"cid 1546",NCIOpen2_007300,NCIOpen2007300,NCIOpen2-007300,"NCIOpen2 007300",NCIOpen2_007340,NCIOpen2007340,NCIOpen2-007340,"NCIOpen2 007340",MLS001332517,MLS001332518,SCHEMBL1820786,DTXSID50274315,
HMS2230B17,HMS337,105014,"NSC 105014
NSC 105014",Cladribine}

> <pdid>
PD003181

> <targets>
{}

> <classes>
{"Purine Antimetabolite"}

> <pubchem_cids>
{1546}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    4.9852    2.6764    0.0000 Cl  0  0
    3.8856    1.6562    0.0000 C   0  0
    4.2194    0.1938    0.0000 C   0  0
    3.1198   -0.8265    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1695   -0.6090    0.0000 C   0  0
   -3.7175   -2.0053    0.0000 C   0  0
   -2.7822   -3.1781    0.0000 C   0  0
   -1.2990   -2.9545    0.0000 N   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.4012   -2.9095    0.0000 C   0  0
    0.4925   -4.1079    0.0000 C   0  0
    1.0734   -5.4909    0.0000 C   0  0
    2.5615   -5.6793    0.0000 N   0  0
    3.4687   -4.4848    0.0000 C   0  0
    2.8879   -3.1018    0.0000 C   0  0
    2.4522    2.0983    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15  5  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
  6 22  2  0
 22  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11926

> <plate>
PLATE 013

> <well>
B6

> <supplier_cmpd_name>
Desloratadine

> <ctcr_id>
6488

> <supplier_cmpd_id>
T2520

> <smiles>
Clc1ccc2c(CCc3cccnc3C2=C4CCNCC4)c1

> <pd_targets>
{KMT2A,MEN1,GLRA1,GLRA2,GLRA3,GLRB,HRH1,HRH4,ADRA1B,LMNA,AMPC,TGR,SLC6A2,CHRM2,HTR2A,HRH2,CHRM4,CHRM5,SLC6A4,ABCB1,DRD3,CHRM3,HTR2C,ADRA2B,HTR2B,SLC6A3,CHRM1,HTR6}

> <pathway_gtopdb>
{"Epigenetic regulator","Ion channel","Membrane receptor","Other nuclear protein",Enzyme,Transporter,Reader,"Ligand-gated ion channel","Family A G protein-coupled receptor",Hydrolase,"Electrochemical 
transporter","Primary active transporter",Bromodomain,"Glycine receptor","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","ATP-binding cassette","Monoamine receptor","SLC
06 neurotransmitter transporter family","ABCB subfamily","Histamine receptor","Adrenergic receptor","Acetylcholine receptor","Serotonin receptor","Dopamine receptor"}

> <pathway_chembl>
{Receptors,Transporters,"G protein-coupled receptors","SLC superfamily of solute carriers","ATP-binding cassette transporter family","Histamine receptors",Adrenoceptors,"SLC6 neurotransmitter transpor
ter family","Acetylcholine receptors (muscarinic)","5-Hydroxytryptamine receptors","ABCB subfamily","Dopamine receptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle",Disease,"Neuronal System",Metabolism,"Signaling by GPCR",Mitotic,"Disorders of transmembrane transporters","Infectious disease","Transmission across Chemical Synaps
es","Abacavir transport and metabolism","GPCR ligand binding","M Phase","SLC transporter disorders","Leishmania infection","Neurotransmitter clearance","Abacavir transmembrane transport","Class A/1 (R
hodopsin-like receptors)","Mitotic Metaphase and Anaphase","Defective SLC6A2 causes orthostatic intolerance (OI)","Leishmania parasite growth and survival","Serotonin clearance from the synaptic cleft
","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Amine ligand-binding receptors","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Histamine 
receptors",Adrenoceptors,"Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production","Dopamine receptors","I
nitiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{Desloratadine,100643-71-8,100643718,Clarinex,Descarboethoxyloratadine,Desloratidine,Neoclarityn,Sch-34117,Sch34117,Aerius,Azomyr,Denosin,"Sch 34117",Descarboethoxyoratidine,UNII-FVF865388R,UNIIFVF865
388R,MFCD00871949,CHEMBL1172,"Loratadine related compound a",C19H19ClN2,MLS000559042,S4012,SAM001246545,1505393,Prestw-1390,CPD000149358,DESLORATIDINE}

> <pdid>
PD000515

> <targets>
{"Histamine Receptor"}

> <classes>
{H1-antihistamine,"Neuronal Signaling"}

> <pubchem_cids>
{124087}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
  -12.2597  -11.5113    0.0000 F   0  0
  -11.1748  -10.4754    0.0000 C   0  0
  -11.5295   -9.0179    0.0000 C   0  0
  -10.4446   -7.9820    0.0000 C   0  0
   -9.0050   -8.4035    0.0000 C   0  0
   -8.6504   -9.8611    0.0000 C   0  0
   -9.7353  -10.8970    0.0000 C   0  0
   -7.9175   -7.3693    0.0000 C   0  0
   -6.4777   -7.7931    0.0000 C   0  0
   -5.3902   -6.7589    0.0000 C   0  0
   -3.9504   -7.1827    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 N   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 C   0  0
   -3.2175   -4.6910    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -8.2698   -5.9105    0.0000 C   0  0
   -7.1846   -4.8749    0.0000 C   0  0
   -7.5387   -3.4173    0.0000 C   0  0
   -8.9781   -2.9952    0.0000 C   0  0
   -9.3323   -1.5376    0.0000 F   0  0
  -10.0634   -4.0307    0.0000 C   0  0
   -9.7092   -5.4883    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 18  1  0
 27 22  1  0
  8 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 34 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11927

> <plate>
PLATE 013

> <well>
B7

> <supplier_cmpd_name>
Pimozide

> <ctcr_id>
5225

> <supplier_cmpd_id>
T2546

> <smiles>
Fc1ccc(cc1)C(CCCN2CCC(CC2)N3C(=O)Nc4ccccc34)c5ccc(F)cc5

> <pd_targets>
{PMP22,LMNA,HTT,MAPT,CYP2C19,HIF1A,IMPA1,APEX1,THPO,CYP2D6,CYP1A2,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,DRD2,DRD3,CACNA1C,HRH4,HTR2A,ADRA1A,HTR6,HTR7,KCNH2,OPRM1,OPRK1,DRD1,DRD
4,DRD5,NFKB1,CACNA1H,CYP3A4,FTL,RORC,ALDH1A1,MAPK1,CHRM1,TP53,HTR1A,HTR1D,CHRM3,OPRD1,WDR48,FFP,KMT2A,MEN1,BLM,NPSR1,HTR2C,CACNA1G,CACNA1I,HRH1,ALOX15,LEF,SIGMAR1,KCNK2,ABCB1,KDM4E,AMPC,GMNN,USP1,ADRA
2A,ADRA2C,NFO,ADRA2B,KCNJ6,KCNA10,CACNA1D,CACNA1F,CACNA1S,HTR3A,CHRM2,ABCB1A,MTOR,SLC22A2,GLRA1,CALM1}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein","Other cytosolic protein",Enzyme,"Transcription factor","Ion channel","Membrane receptor","Epigenetic regulator",Transporter,"Cytochrome P450",Hydrolase
,"Voltage-gated ion channel","Family A G protein-coupled receptor","Nuclear receptor",Oxidoreductase,Kinase,Transferase,Reader,Protease,"Primary active transporter",Eraser,"Ligand-gated ion channel","
Electrochemical transporter","Cytochrome P450 family 2","Cytochrome P450 family 1","Voltage-gated sodium channel","Small molecule receptor (family A GPCR)","Voltage-gated calcium channel","Potassium c
hannels","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Protein Kinase",Bromodomain,"Metallo protease","ATP-binding cassette","Lysine demethylase
","Cysteine protease","5HT3 receptor","SLC superfamily of solute carriers","Glycine receptor","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Monoamine receptor","
Voltage-gated potassium channel","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Metallo protease MAE c
lan","Two-pore domain potassium channel","ABCB subfamily","Jumonji domain-containing","Cysteine protease CA clan","Inwardly rectifying potassium channel","Atypical protein kinase group","SLC22 family 
of organic cation and anion transporters","Cytochrome P450 2C19","Cytochrome P450 2D6","Cytochrome P450 1A1","Dopamine receptor","Histamine receptor","Serotonin receptor","Adrenergic receptor","Opioid
 receptor","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Acetylcholine receptor","Neuropeptide receptor","Metallo protease M34 family
","Cysteine protease C19 family","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Other protein targets",Transporters,"Cytochrome P450","Inositol phosphate turnover","G protein-coupled receptors","Voltage-gated ion channels","Nuclear hormone recep
tors","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Sigma receptors","ATP-binding cassette transporter family","Chromatin modifying enzymes","Peptidases and proteinases","Ligand-gated ion channels","S
LC superfamily of solute carriers","CYP2 family: drug metabolising subset","Inositol monophosphatase","CYP1 family","Dopamine receptors","Voltage-gated calcium channels","Histamine receptors","5-Hydro
xytryptamine receptors",Adrenoceptors,"Potassium channels","Opioid receptors","CYP3 family","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors
 (muscarinic)","Neuropeptide S receptor",Lipoxygenases,"ABCB subfamily","1.14.11.- Histone demethylases","CA: Cysteine (C) Peptidases","5-HT<sub>3</sub> receptors","Voltage-gated sodium channels",Atyp
ical,"SLC22 family of organic cation and anion transporters","Glycine receptors","Voltage-gated potassium channels","Mitogen-activated protein kinases (MAP kinases)","Two P domain potassium channels",
"C19: Ubiquitin-specific protease","Inwardly rectifying potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Organic cation transporters (OCT)","ERK subfamily","FRAP su
bfamily"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","Gene expression (Transcription)","Neuronal System",Metabolism,"Cellular responses to external stimuli","DNA Repair",Hemostasis,"Signal Transduction",Disease,"Mus
cle contraction","Immune System","Vesicle-mediated transport","Transport of small molecules","Nervous system development",Mitotic,"RNA Polymerase II Transcription","Transmission across Chemical Synaps
es","Biological oxidations","Cellular responses to stress","Inositol phosphate metabolism","Base Excision Repair","Platelet activation","signaling and aggregation","Signaling by GPCR","Infectious dise
ase","Cardiac conduction","Cytokine Signaling in Immune system","Metabolism of lipids","Membrane Trafficking","Innate Immune System","Cell Cycle Checkpoints","Diseases of signal transduction by growth
 factor receptors and second messengers","DNA Double-Strand Break Repair","Potassium Channels","Abacavir transport and metabolism","DNA Damage Bypass","SLC-mediated transmembrane transport","EGR2 and 
SOX10-mediated initiation of Schwann cell myelination","M Phase","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compo
unds","Cellular response to hypoxia","Synthesis of IP2",IP,"and Ins in the cytosol","Resolution of Abasic Sites (AP sites)","Platelet Aggregation (Plug Formation)","GPCR ligand binding","Axon guidance
","Leishmania infection","Phase 3 - rapid repolarisation","GPCR downstream signalling","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","trans-Golgi Network Vesi
cle Budding","Toll-like Receptor Cascades","G1/S DNA Damage Checkpoints","Signaling by PDGFR in disease","Homology Directed Repair","Uptake and actions of bacterial toxins","SARS-CoV Infections","Tand
em pore domain potassium channels","Abacavir transmembrane transport","Mitotic G1 phase and G1/S transition","Recognition of DNA damage by PCNA-containing replication complex","Voltage gated Potassium
 channels","Transport of bile salts and organic acids","metal ions and amine compounds","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Activation of NMDA receptors and postsyn
aptic events","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Resolution of AP sites via the multiple-nucleotide patch replac
ement pathway","Class A/1 (Rhodopsin-like receptors)","NCAM signaling for neurite out-growth","Leishmania parasite growth and survival","G alpha (i) signalling events","Interleukin-1 family signaling"
,"Biosynthesis of DHA-derived SPMs","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX3","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","p53-Dependent G1/S DNA damage
 checkpoint","Signaling by cytosolic PDGFRA and PDGFRB fusion proteins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DPA-derived SPMs","Uptake and fun
ction of anthrax toxins","Potential therapeutics for SARS","TWIK related potassium channel (TREK)","G1/S Transition","L1CAM interactions","GABA receptor activation","Transcriptional Regulation by TP53
","Organic cation/anion/zwitterion transport","Mitotic Anaphase","Regulation of MECP2 expression and activity","Post NMDA receptor activation events",Xenobiotics,"PCNA-Dependent Long Patch Base Excisi
on Repair","Amine ligand-binding receptors","NCAM1 interactions","Anti-inflammatory response favouring Leishmania parasite infection","Opioid Signalling","MECP2 regulates neuronal receptors and channe
ls","Interleukin-1 signaling","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma membrane","p53-Dependent G1 DNA Damage Response","Pepti
de ligand-binding receptors","HDR through Homologous Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Activation of the pre-replicative complex","Interaction between L1 and Ankyrins","GABA B recept
or activation","Regulation of TP53 Activity","Organic cation transport","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Aromatic amines can be N-hydrox
ylated or N-dealkylated by CYP1A2","Dopamine receptors","Histamine receptors","Serotonin receptors",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","G-protein activation","MAP3
K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","MAP kinase activation","Muscarinic acetylcholine receptors","Stabilization of p53","Homologous DNA Pairing and Strand Excha
nge","Biosynthesis of DPAn-3-derived protectins and resolvins","Activation of GABAB receptors","Regulation of TP53 Expression and Degradation","CREB1 phosphorylation through NMDA receptor-mediated act
ivation of RAS signaling","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","Presynaptic phase 
of homologous DNA pairing and strand exchange","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA rece
ptor","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CACNA1I,CALM1,DRD1,DRD2,DRD3,DRD4,DRD5,HRH1,HTR1A,HTR2A,KCNA10,KCNH2}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{2062-78-4,2062784,Orap,Opiran,Pimozidum,"Pimozidum (INN-Latin)","Pimozidum (INNLatin)",McN-JR-6238,McNJR6238,R-6238,R6238,"R 6238",UNII-1HIZ4DL86F,UNII1HIZ4DL86F,"NSC 170984","McN-JR 6238","McNJR 623
8","1-(1-(4,4-Bis(p-fluorophenyl)butyl)-4-piperidyl)-2-benzimidazolinone","1(1(4,4Bis(pfluorophenyl)butyl)4piperidyl)2benzimidazolinone",1HIZ4DL86F,CHEMBL1423,1-(4,1(4,4-Bis,4Bis,T2546,NSC170984,15011
34,Prestw-308,Pimozide,PIMOZIDE}

> <pdid>
PD001879

> <targets>
{Adrenergic Receptor,Dopamine Receptor,STAT}

> <classes>
{antipsychotic,GPCR/G Protein,JAK/STAT Signaling,Neuronal Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{16362}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 13  0  0  1  0            999 V2000
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0  1  0  0  0
    2.6000    0.0000    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    1.7500    0.0000 C   0  0
    3.8969    2.2508    0.0000 C   0  0
    2.5961    2.9994    0.0000 N   0  3
    2.5930    4.4994    0.0000 C   0  0
    1.2956    3.7469    0.0000 C   0  0
    1.7309    2.4979    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 O   0  0
    6.5000    2.2500    0.0000 O   0  0
   10.2999    2.2501    0.0000 Cl  0  5
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  1 12  1  0
 12 13  2  0
 12 14  1  0
M  CHG  2   8   1  15  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11928

> <plate>
PLATE 013

> <well>
B8

> <supplier_cmpd_name>
O-Acetyl-L-carnitine hydrochloride

> <ctcr_id>
11081

> <supplier_cmpd_id>
T2563

> <smiles>
C([C@@H](OC(=O)C)C[N+](C)(C)C)C(=O)O.[Cl-]

> <pd_targets>
{AMPC,LMNA,SMN1}

> <pathway_gtopdb>
{Enzyme,Hydrolase,"Other nuclear protein","Epigenetic regulator",Reader,"Methyl-lysine/arginine binding protein","Tudor domain"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle","Metabolism of RNA",Mitotic,"Metabolism of non-coding RNA","M Phase","snRNP Assembly","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation o
f Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{08050,"Acetyl-L-carnitine hydrochloride","AcetylLcarnitine hydrochloride",5080-50-2,5080502,"O-Acetyl-L-carnitine HCl","OAcetylLcarnitine HCl",ALCAR,"o-Acetyl-L-carnitine hydrochloride","oAcetylLcarn
itine hydrochloride",UNII-NDW10MX58T,UNIINDW10MX58T,"Acetylcarnitine hydrochloride",NDW10MX58T,"(R)-3-Acetoxy-4-(trimethylammonio)butyrate hydrochloride","(R)3Acetoxy4(trimethylammonio)butyrate hydroc
hloride",Branigan,Nic,T2563,"O-Acetyl-L-carnitine hydrochloride"}

> <pdid>
PD007238

> <targets>
{CRAT}

> <classes>
{Others}

> <pubchem_cids>
{2733928}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6023   -2.9968    0.0000 C   0  0
   -3.9038   -3.7427    0.0000 C   0  0
   -5.2005   -2.9887    0.0000 N   0  0
   -5.1958   -1.4887    0.0000 C   0  0
   -3.8944   -0.7427    0.0000 C   0  0
   -2.5977   -1.4967    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
    9.0003   -1.8752    0.0000 C   0  0
    9.0003   -3.3752    0.0000 S   0  0
    9.0003   -4.8752    0.0000 O   0  0
    7.7010   -4.1247    0.0000 O   0  0
   10.2996   -4.1247    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 11 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 25 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11929

> <plate>
PLATE 013

> <well>
B9

> <supplier_cmpd_name>
Reboxetine mesylate

> <ctcr_id>
4006

> <supplier_cmpd_id>
T6963

> <smiles>
CCOc1ccccc1OC(C2CNCCO2)c3ccccc3.C[S](O)(=O)=O

> <pd_targets>
{SLC6A3,SLC6A2,SLC6A4,NET}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC06 neurotransmitter transporter family"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC6 neurotransmitter transporter family","Monoamine transporter subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Disorders of transmembrane transporters","Transmission across Chemical Synapses","SLC transporter disorders","Neurotransmitter clearance","Defective SLC6A3 causes Parkinson
ism-dystonia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)","Serotonin clearance from the synaptic cleft"}

> <broad_targets>
{SLC6A2}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{"Reboxetine mesylate",Edronax,93851-87-7,93851877,"Reboxetine (mesylate)",Prolift;Vestra;Norebox,Vestra,"(S,S)-reboxetine (mesylate)","(S,S)reboxetine (mesylate)",PNU-155950E,PNU155950E,"2-((2-Ethoxy
phenoxy)(phenyl)methyl)morpholine methanesulfonate","2((2Ethoxyphenoxy)(phenyl)methyl)morpholine methanesulfonate","FCE20124 mesylate;PNU155950E m",S3199}

> <pdid>
PD010155

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{6917839}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 23  0  0  1  0            999 V2000
   -0.6010    4.3285    0.0000 C   0  0
    0.1500    3.0300    0.0000 C   0  0  2  0  0  0
    1.8400    3.0300    0.0000 C   0  0
    2.6900    1.5700    0.0000 C   0  0
    1.8400    0.1000    0.0000 C   0  0  1  0  0  0
    2.6900   -1.3600    0.0000 C   0  0  1  0  0  0
    4.1900   -1.3600    0.0000 C   0  0
    1.8400   -2.8200    0.0000 C   0  0
    2.5876   -4.1204    0.0000 O   0  0
    0.1500   -2.8200    0.0000 O   0  0
   -0.6900   -1.3600    0.0000 C   0  0  2  0  0  0
   -1.9100   -1.3600    0.0000 O   0  0
   -2.7600   -0.5000    0.0000 C   0  0  1  0  0  0
   -1.3725    0.0700    0.0000 C   0  0
   -2.7600    0.7100    0.0000 C   0  0
   -1.9100    1.5700    0.0000 C   0  0
   -0.6900    1.5700    0.0000 C   0  0  2  0  0  0
    0.1500    0.1000    0.0000 C   0  0  1  0  0  0
   -1.1700    0.6900    0.0000 O   0  0
   -2.1000    0.1500    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  2  0
  8 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 17 16  1  1
 17  2  1  0
 17 18  1  0
 18  5  1  0
 18 11  1  0
 18 19  1  6
 19 20  1  0
 20 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11930

> <plate>
PLATE 013

> <well>
B10

> <supplier_cmpd_name>
Artemisinin

> <ctcr_id>
3173

> <supplier_cmpd_id>
T0392

> <smiles>
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4

> <pd_targets>
{CYP2B6,CYP3A4,CDPK1,FTL,ALDH1A1,NR1I2,CYP1A2,HSD17B10,FFP,HPGD}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Transcription factor","Cytochrome P450",Kinase,Oxidoreductase,"Nuclear receptor",Transferase,"Cytochrome P450 family 2","Cytochrome P450 family 3","Protein Kinase","Nuc
lear hormone receptor subfamily 1","Cytochrome P450 family 1","Cytochrome P450 family 2B","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 family 1A","Cytoch
rome P450 2B6","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Nuclear hormone receptors","Eicosanoid turnover","CYP2 family: drug metabolising subset","CYP3 family","1I. Vitamin D receptor-like receptors","CYP1 family","Pros
taglandin synthases"}

> <pathway_reactome>
{Metabolism,"Vesicle-mediated transport","Metabolism of proteins","Biological oxidations","Metabolism of lipids","Membrane Trafficking","Post-translational protein modification","Metabolism of amino a
cids and derivatives","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","trans-Golgi Network Vesicle Budding",SUMOylation,"Branched-chain amino aci
d catabolism","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Golgi Associated Vesicle Biogenesis","Ethanol oxidation","SUMO E3 ligases SUMOylate target proteins",Xe
nobiotics,"Biosynthesis of maresins","SUMOylation of intracellular receptors","Biosynthesis of D-series resolvins","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydr
oxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{CYP2B6}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{RESTW49,artemisinin,Qinghaosu,63968-64-9,63968649,Arteannuin,Artemisinine,Artemisine,(+)-Artemisinin,(+)Artemisinin,Huanghuahaosu,Artemisinina,"Qing Hau Sau",Artemisininum,UNII-9RMU91N5K2,UNII9RMU91N
5K2,CHEBI:223316,"Artemisinin (INN)",9RMU91N5K2,"NSC 369397",MFCD00081057,Qinghosu,"Quing Ha",T0392,1503042,Prestw-498,Artemisinin,ARTEMISININ}

> <pdid>
PD001100

> <targets>
{Akt,Ferroptosis,HCV,Parasite}

> <classes>
{antimalarial,Anti-infection,Apoptosis,PI3K/Akt/mTOR}

> <pubchem_cids>
{68827}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
   -1.8778    2.7573    0.0000 C   0  0
   -1.0947    1.4779    0.0000 N   0  0
    0.0000    0.6568    0.0000 C   0  0
   -0.6568   -0.6386    0.0000 C   0  0
   -1.8063   -1.3319    0.0000 C   0  0
   -0.8393    0.0000    0.0000 C   0  0
    0.9488    0.0000    0.0000 C   0  0
    1.8975   -0.8028    0.0000 C   0  0
    1.6421    0.6933    0.0000 C   0  0
    2.6654   -2.0798    0.0000 O   0  0
    4.1661   -2.0555    0.0000 C   0  0
    4.8945   -0.7443    0.0000 O   0  0
    4.9382   -3.3425    0.0000 C   0  0
    4.2067   -4.6529    0.0000 C   0  0
    2.7069   -4.6756    0.0000 O   0  0
    6.4389   -3.3181    0.0000 C   0  0
    7.2125   -4.6033    0.0000 C   0  0
    8.7123   -4.5759    0.0000 C   0  0
    9.4385   -3.2634    0.0000 C   0  0
    8.6649   -1.9783    0.0000 C   0  0
    7.1652   -2.0056    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11931

> <plate>
PLATE 013

> <well>
B11

> <supplier_cmpd_name>
L-Hyoscyamine

> <ctcr_id>
2596

> <supplier_cmpd_id>
T0962

> <smiles>
CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3

> <pd_targets>
{CFTR,CHRM3,CHRM2,GPM3,CHRM4,CHRM1,CHRM5,MAPT,ACHE,ADRA2A,NACHRALPHA5,ADRA1D,HTR2C,SLC22A1,GLRA1,AMPC,LMNA,KDM4E,BLM,POLB}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor","Other ion channel","Family A G protein-coupled receptor","Chloride channel","Small molecule receptor (family A GPCR)","Cystic fibrosis transmembrane conductance reg
ulator","Monoamine receptor","Acetylcholine receptor","Other cytosolic protein",Enzyme,Transporter,Hydrolase,"Ligand-gated ion channel","Electrochemical transporter","Nicotinic acetylcholine receptor"
,"SLC superfamily of solute carriers","Glycine receptor","SLC22 family of organic cation and anion transporters","Adrenergic receptor","Serotonin receptor","Other nuclear protein","Epigenetic regulato
r",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{"Ion channels",Receptors,"Other ion channels","G protein-coupled receptors","Chloride channels","Acetylcholine receptors (muscarinic)",CFTR,Enzymes,Transporters,"Acetylcholine turnover","SLC superfam
ily of solute carriers","Ligand-gated ion channels",Adrenoceptors,"5-Hydroxytryptamine receptors","SLC22 family of organic cation and anion transporters","Glycine receptors","Organic cation transporte
rs (OCT)","Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Autophagy,"Signal Transduction",Macroautophagy,"Signaling by GPCR","Selective autophagy","GPCR ligand binding",Aggrephagy,"Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Musc
arinic acetylcholine receptors","Neuronal System",Metabolism,"Transport of small molecules","Transmission across Chemical Synapses","Metabolism of lipids","SLC-mediated transmembrane transport","Neuro
transmitter receptors and postsynaptic signal transmission","Phospholipid metabolism","Transport of bile salts and organic acids","metal ions and amine compounds","Activation of NMDA receptors and pos
tsynaptic events","Glycerophospholipid biosynthesis","Organic cation/anion/zwitterion transport","Post NMDA receptor activation events","Synthesis of PC","Organic cation transport","Activation of AMPK
 downstream of NMDARs",Adrenoceptors,"Serotonin receptors","Cell Cycle","DNA Repair",Mitotic,"DNA Double-Strand Break Repair","Base Excision Repair","M Phase","Homology Directed Repair","Resolution of
 Abasic Sites (AP sites)","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch repla
cement pathway","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","PCNA-Dependent Long Patch Base Excision Repair","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand E
xchange","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{L-Hyoscyamine,LHyoscyamine,51-55-8,51558,hyoscyamine,"Daturine (sulfate)",101-31-5,101315,"L-Hyoscyamine (sulfate)","LHyoscyamine (sulfate)","Tropine tropate;DL-Hyoscyamine","Tropine tropate;DLHyoscy
amine","(8-methyl-8-azabicyclo(3.2.1)octan-3-yl) 3-hydroxy-2-phenylpropanoate","(8methyl8azabicyclo(3.2.1)octan3yl) 3hydroxy2phenylpropanoate",1.alpha.H,"5.alpha.H-Tropan-3.alpha.-ol (.+/-.)-tropat","
5.alpha.HTropan3.alpha.ol (.+/.)tropat",S4014,Hyoscyamine}

> <pdid>
PD002296

> <targets>
{AChR,mAChR}

> <classes>
{Neuronal Signaling,GPCR/G Protein}

> <pubchem_cids>
{3661}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 28  0  0  0  0            999 V2000
    7.7919    1.5103    0.0000 C   0  0
    9.0933    0.7644    0.0000 C   0  0
    9.0990   -0.7364    0.0000 N   0  0
   10.4003   -1.4841    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   12.9995   -1.4792    0.0000 O   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 Cl  0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   16.8002    0.3802    0.0000 O   0  0
   16.8002   -1.1198    0.0000 S   0  0
   16.8002   -2.6198    0.0000 O   0  0
   15.5010   -1.8694    0.0000 O   0  0
   18.0995   -1.8694    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  2  0
 23 13  1  0
 23 17  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 25 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11932

> <plate>
PLATE 013

> <well>
C2

> <supplier_cmpd_name>
Hydroxychloroquine sulfate

> <ctcr_id>
2892

> <supplier_cmpd_id>
T0951

> <smiles>
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O[S](O)(=O)=O

> <pd_targets>
{CHRM1,CHRM4,TLR9,ACE2,TMEM97,CHRM5,ADRA2A,TLR7,LMNA,CHRM2,ADRA2B,CHRM3,SIGMAR1,REP,ADRA2C,KCNH2,ADRA1D}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Unclassified protein","Other nuclear protein","Ion channel","Family A G protein-coupled receptor","Toll-like and Il-1 receptors",Protease,"Voltage-gated ion channel","Smal
l molecule receptor (family A GPCR)","Metallo protease","Potassium channels","Monoamine receptor","Metallo protease MAE clan","Voltage-gated potassium channel","Acetylcholine receptor","Metallo protea
se M2 family","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Ion channels","G protein-coupled receptors","Catalytic receptors","Peptidases and proteinases","Sigma receptors","Anti-infective targets","Voltage-gated ion
 channels","Acetylcholine receptors (muscarinic)","Pattern recognition receptors","MA: Metallo (M) Peptidases",Adrenoceptors,"Viral protein targets","Potassium channels","Toll-like receptor family","M
2: Angiotensin-converting  (ACE and ACE2)","Coronavirus (CoV) proteins","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Disease,"Cell Cycle","Muscle contraction","Signaling by GPCR","Innate Immune System","Infectious disease",Mitotic,"Cardiac conduction","GPCR ligand binding","Tol
l-like Receptor Cascades","SARS-CoV Infections","M Phase","Phase 3 - rapid repolarisation","Class A/1 (Rhodopsin-like receptors)","Toll Like Receptor 7/8 (TLR7/8) Cascade","SARS-CoV-1 Infection","Mito
tic Metaphase and Anaphase","Potential therapeutics for SARS","Amine ligand-binding receptors","MyD88 dependent cascade initiated on endosome","Attachment and Entry","Mitotic Anaphase","SARS-CoV-1 Gen
ome Replication and Transcription","Muscarinic acetylcholine receptors","TRAF6 mediated induction of NFkB and MAP kinases upon TLR7/8 or 9 activation",Adrenoceptors,"Nuclear Envelope (NE) Reassembly",
"Replication of the SARS-CoV-1 genome","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Ercoquin,"HYDROXYCHLOROQUINE SULFATE",747-36-4,747364,"Hydroxychloroquine sulphate","2-((4-((7-Chloroquinolin-4-yl)amino)pentyl)(ethyl)amino)ethanol sulfate","2((4((7Chloroquinolin4yl)amino)pentyl)(e
thyl)amino)ethanol sulfate",TCMDC-123987,TCMDC123987,"NSC 4375","Oxichlorochine Sulfate",C18H28ClN3O5S,Hydroxychlo,T0951,1503978,Prestw-1284,"Hydroxychloroquine sulfate"}

> <pdid>

> <targets>
{}

> <classes>
{antimalarial,"lupus suppressant"}

> <pubchem_cids>
{12947}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    4.1718    0.3758    0.0000 N   0  0
    3.1497   -0.7220    0.0000 C   0  0
    3.5898   -2.1560    0.0000 O   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18  4  1  0
 18 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11933

> <plate>
PLATE 013

> <well>
C3

> <supplier_cmpd_name>
Carbamazepine

> <ctcr_id>
1568

> <supplier_cmpd_id>
T0943

> <smiles>
NC(=O)N1c2ccccc2C=Cc3ccccc13

> <pd_targets>
{TSHR,ALB,FZD8,SCN9A,LMNA,SCN4A,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN5A,SCN7A,SCN8A,NR1I2}

> <pathway_gtopdb>
{"Membrane receptor","Secreted protein","Ion channel","Other nuclear protein","Transcription factor","Family A G protein-coupled receptor","Frizzled family G protein-coupled receptor","Voltage-gated i
on channel","Nuclear receptor","Peptide receptor (family A GPCR)","Voltage-gated sodium channel","Nuclear hormone receptor subfamily 1","Glycohormone receptor","Nuclear hormone receptor subfamily 1 gr
oup I","Nuclear hormone receptor subfamily 1 group I member 2"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Nuclear hormone receptors","Glycoprotein hormone receptors","Class Frizzled GPCRs","Voltage-gated sodium channels"
,"1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{Disease,Metabolism,"Signal Transduction","Developmental Biology","Cell Cycle","Metabolism of proteins","Infectious disease","Metabolism of lipids","Signaling by WNT","Nervous system development",Mito
tic,"Post-translational protein modification","Leishmania infection","Metabolism of steroids","Beta-catenin independent WNT signaling","Axon guidance","M Phase",SUMOylation,"Leishmania parasite growth
 and survival","Bile acid and bile salt metabolism","PCP/CE pathway","L1CAM interactions","Mitotic Metaphase and Anaphase","SUMO E3 ligases SUMOylate target proteins","Anti-inflammatory response favou
ring Leishmania parasite infection","Recycling of bile acids and salts","Asymmetric localization of PCP proteins","Interaction between L1 and Ankyrins","Mitotic Anaphase","SUMOylation of intracellular
 receptors","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"carboxamide antiepileptic"}

> <synonyms>
{carbamazepine,298-46-4,298464,Tegretol,Carbamazepen,"5H-Dibenzo(b,f)azepine-5-carboxamide","5HDibenzo(b,f)azepine5carboxamide",Carbazepine,Finlepsin,Biston,Equetro,"5H-Dibenz(b,f)azepine-5-carboxamid
e","5HDibenz(b,f)azepine5carboxamide",Carbamezepine,Tegretal,Epitol,Karbamazepin,Carbatrol,Neurotol,Timonil,Carbamazepin,T0943,SAM002264603,1500159,Prestw-52,Carbamazepine,CPD001227191,CARBAMAZEPINE}

> <pdid>
PD002445

> <targets>
{}

> <classes>
{analgesic,anticonvulsant}

> <pubchem_cids>
{2554}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  1  0            999 V2000
    8.7484   -1.3371    0.0000 Na  0  3
    6.1085   -6.9200    0.0000 C   0  0
    5.4984   -5.5497    0.0000 C   0  0
    4.0312   -5.2378    0.0000 S   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 S   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.0479    2.0470    0.0000 C   0  0  2  0  0  0
   -3.4926    2.4305    0.0000 N   0  0
   -4.5521    1.3675    0.0000 C   0  0
   -4.1610   -0.0806    0.0000 O   0  0
   -6.0026    1.7526    0.0000 C   0  0
   -7.0621    0.6896    0.0000 N   0  0
   -8.5291    0.9343    0.0000 C   0  0
   -9.2051   -0.4048    0.0000 N   0  0
   -8.1405   -1.4615    0.0000 N   0  0
   -6.8065   -0.7755    0.0000 N   0  0
   -0.7488    2.7970    0.0000 C   0  0
   -0.3606    4.2459    0.0000 O   0  0
    2.6003    1.4978    0.0000 C   0  0
    2.6029    2.9978    0.0000 O   0  5
    3.8983    0.7459    0.0000 O   0  0
    5.2447   -3.1359    0.0000 N   0  0
    6.2484   -4.2507    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  1  6
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 19  1  0
 14 24  1  0
 24 10  1  0
 24 25  2  0
  9 26  1  0
 26 27  1  0
 26 28  2  0
  5 29  2  0
 29 30  1  0
 30  3  2  0
M  CHG  2   1   1  27  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11934

> <plate>
PLATE 013

> <well>
C4

> <supplier_cmpd_name>
Cefazolin sodium salt

> <ctcr_id>
1920

> <supplier_cmpd_id>
T0953

> <smiles>
[Na+].Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C([O-])=O)nn1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{27164-46-1,27164461,"CEFAZOLIN SODIUM","Cefazolin sodium salt","Cefazoline sodium",Ancef,Kefzol,"Sodium cephazolin",Zolicef,"Sodium cefazolin",Cefazil,Totacef,"Cefazolin (sodium)","Monosodium cefazol
in","CEFAZOLIN AND DEXTROSE",Firmacef,Liv,1500164,Prestw-736}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{102090458,23675322}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    3.7135    2.7169    0.0000 Cl  0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 N   0  0
   -0.4623    2.7009    0.0000 C   0  0
   -1.9623    2.7008    0.0000 C   0  0
   -2.4258    1.2743    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 S   0  0
   -2.8444    3.9150    0.0000 C   0  0
   -2.3400    5.3223    0.0000 C   0  0
   -3.3105    6.4661    0.0000 C   0  0
   -4.7863    6.1975    0.0000 C   0  0
   -5.2915    4.7851    0.0000 C   0  0
   -4.3210    3.6414    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  4  1  0
  8  9  1  0
  9  2  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11935

> <plate>
PLATE 013

> <well>
C5

> <supplier_cmpd_name>
Levamisole hydrochloride

> <ctcr_id>
10984

> <supplier_cmpd_id>
T0944

> <smiles>
Cl.C1CN2CC(N=C2S1)c1ccccc1

> <pd_targets>
{ALPL,BLM,FTL,ALPI,CHRNA3,ALPG,UNC-38,UNC-63,LEV-1,UNC-29,LMNA,AMPC,PMP22,NFO,ALDH1A1,NS1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Phosphatase,"Ligand-gated ion channel","Nicotinic acetylcholine receptor","Nicotinic acetylcholine receptor alpha subunit","Other nuclear protein",Hydrolas
e,Oxidoreductase}

> <pathway_chembl>
{"Ion channels","Ligand-gated ion channels","Nicotinic acetylcholine receptors"}

> <pathway_reactome>
{"Metabolism of proteins","DNA Repair","Vesicle-mediated transport",Metabolism,"Neuronal System","Post-translational protein modification","DNA Double-Strand Break Repair","Membrane Trafficking","Meta
bolism of lipids","Transmission across Chemical Synapses","Post-translational modification: synthesis of GPI-anchored proteins","Homology Directed Repair","trans-Golgi Network Vesicle Budding","Phosph
olipid metabolism","Neurotransmitter receptors and postsynaptic signal transmission","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Golgi Associated Vesicle Biogenesis"
,"Glycerophospholipid biosynthesis","Acetylcholine binding and downstream events","HDR through Homologous Recombination (HRR)","Synthesis of PA","Postsynaptic nicotinic acetylcholine receptors","Homol
ogous DNA Pairing and Strand Exchange","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Presynaptic phase of homologous DNA pairing and strand exchange","Cell Cycle","Develop
mental Biology",Mitotic,"Nervous system development","Biological oxidations","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Phase I - Functionalization of compounds","Mito
tic Metaphase and Anaphase","Ethanol oxidation","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ALPPL2,CHRNA3}

> <broad_moa>
{immunostimulant}

> <synonyms>
{"Ergamisol hydrochloride","Tetramisol hydrochloride",Prestwick_854,Prestwick854,Prestwick-854,"Prestwick 854","Tetramisole hydrochloride",5086-74-8,5086748,"5086 74 8",Anthelvet,"Tetramisole HCl",Cit
arin,Concurat,"Tetramisole (hydrochloride)",Ascarotrat,Nilverom,Ripercol,Nilverm,"Pig Worme",T0944,T0494,"Levamisole hydrochloride"}

> <pdid>
PD009109

> <targets>
{SDH,Antibiotic,Parasite,Phosphatase}

> <classes>
{Metabolism,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{68628}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 85 85  0  0  0  0            999 V2000
   -1.6658    1.2332    0.0000 C   0  0
   -1.4013   -0.2433    0.0000 C   0  0
    0.0000   -0.7500    0.0000 C   0  0
    1.3000   -2.2500    0.0000 N   0  0
    1.3000   -3.7500    0.0000 C   0  0
    0.0011   -4.5002    0.0000 O   0  0
    2.6000   -4.5000    0.0000 C   0  0
    4.0786   -4.2424    0.0000 C   0  0
    5.0400   -5.3937    0.0000 O   0  0
    4.5956   -2.8335    0.0000 C   0  0
    3.9547   -2.0659    0.0000 C   0  0
    6.0742   -2.5759    0.0000 C   0  0
    7.0373   -3.7269    0.0000 C   0  0
    8.5158   -3.4693    0.0000 C   0  0
    9.1575   -4.2363    0.0000 C   0  0
    2.6000   -6.0000    0.0000 N   0  0
    1.3011   -6.7502    0.0000 C   0  0
    3.9000   -6.7500    0.0000 C   0  0
    3.9000   -8.2500    0.0000 O   0  0
    5.2000   -6.0000    0.0000 C   0  0
    6.1671   -4.8523    0.0000 C   0  0
    7.1516   -5.0273    0.0000 C   0  0
    5.8267   -3.9120    0.0000 C   0  0
    6.5000   -6.7500    0.0000 N   0  0
    6.5000   -8.2500    0.0000 C   0  0
    7.8000   -6.0000    0.0000 C   0  0
    7.8000   -5.0000    0.0000 O   0  0
    9.1000   -6.7500    0.0000 C   0  0
    9.1031   -8.2508    0.0000 C   0  0
   10.4039   -8.9994    0.0000 C   0  0
   10.4070  -10.4994    0.0000 C   0  0
   11.2691   -8.4979    0.0000 C   0  0
   10.4000   -6.0000    0.0000 N   0  0
   10.4000   -5.0000    0.0000 C   0  0
   11.7000   -6.7500    0.0000 C   0  0
   11.7000   -7.7500    0.0000 O   0  0
   13.0000   -6.0000    0.0000 C   0  0
   14.3013   -6.7478    0.0000 C   0  0
   15.6000   -5.9955    0.0000 C   0  0
   16.9005   -6.7428    0.0000 C   0  0
   15.5982   -4.9955    0.0000 C   0  0
   13.0000   -4.5000    0.0000 N   0  0
   11.7011   -3.7498    0.0000 C   0  0
   14.3000   -3.7500    0.0000 C   0  0
   15.1659   -4.2501    0.0000 O   0  0
   14.3000   -2.2500    0.0000 C   0  0
   13.0011   -1.4998    0.0000 C   0  0
   15.6000   -1.5000    0.0000 N   0  0
   15.6000    0.0000    0.0000 C   0  0
   16.8989    0.7502    0.0000 O   0  0
   14.3000    0.7500    0.0000 C   0  0
   13.0011   -0.0002    0.0000 C   0  0
   14.3000    2.2500    0.0000 N   0  0
   13.0000    3.0000    0.0000 C   0  0
   11.7011    2.2498    0.0000 O   0  0
   13.0000    4.5000    0.0000 C   0  0
   14.2982    5.2531    0.0000 C   0  0
   14.2961    6.7539    0.0000 C   0  0
   15.5935    7.5066    0.0000 C   0  0
   12.9957    7.5016    0.0000 C   0  0
   11.7000    5.2500    0.0000 N   0  0
   11.7000    6.7500    0.0000 C   0  0
   10.4000    4.5000    0.0000 C   0  0
   10.4000    3.0000    0.0000 O   0  0
    9.1000    5.2500    0.0000 C   0  0
    7.8000    4.5000    0.0000 N   0  0
    6.5000    5.2500    0.0000 C   0  0
    6.5000    6.7500    0.0000 O   0  0
    5.2000    4.5000    0.0000 C   0  0
    5.1969    2.9992    0.0000 C   0  0
    6.4946    2.2453    0.0000 C   0  0
    6.4916    0.7453    0.0000 C   0  0
    7.3619    2.7432    0.0000 C   0  0
    3.9000    5.2500    0.0000 N   0  0
    3.9000    6.7500    0.0000 C   0  0
    2.6000    4.5000    0.0000 C   0  0
    1.3011    5.2502    0.0000 O   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    2.2500    0.0000 N   0  0
    0.0011    3.0002    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.7054    0.2257    0.0000 O   0  0
    9.0969    6.7508    0.0000 C   0  0
    7.7968    7.4990    0.0000 C   0  0
   10.3946    7.5031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  7 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 20 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 28 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 37 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 49 50  2  0
 49 51  1  0
 51 52  1  0
 51 53  1  0
 53 54  1  0
 54 55  2  0
 54 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 58 60  1  0
 56 61  1  0
 61 62  1  0
 61 63  1  0
 63 64  2  0
 63 65  1  0
 65 66  1  0
 66 67  1  0
 67 68  2  0
 67 69  1  0
 69 70  1  0
 70 71  1  0
 71 72  1  0
 71 73  1  0
 69 74  1  0
 74 75  1  0
 74 76  1  0
 76 77  2  0
 76 78  1  0
 78 79  1  0
 79 80  1  0
 79 81  1  0
 81  3  1  0
 81 82  2  0
 65 83  1  0
 83 84  1  0
 83 85  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11936

> <plate>
PLATE 013

> <well>
C6

> <supplier_cmpd_name>
Cyclosporin A

> <ctcr_id>
3810

> <supplier_cmpd_id>
T0945

> <smiles>
CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C

> <pd_targets>
{ABCB1,ABCC2,NPSR1,ABCB11,NFO,APEX1,BLM,FTL,LMNA,NS1,POLB,GMNN,MAPT,PMP22,KMT2A,MEN1,PPIA,SLCO1B3,MTOR,SLCO1B1,FKBP1B,FPR1,CYP3A4,CYP3A43,CYP3A5,CYP3A7,FKBP1A,CYP2C19,PPID,FKBP4,PPP3CA,PPIB,ATP2A1,UGT
1A1,PPP3CC,REP,IL2,ABCB1B,ABCC1,CYP2C9,SLC10A1,ABCG2,UGT1A4,CACNA1C,TACR2,SLCO2B1,ABCC3,POL,ABCB1A,SLC10A2,PIK3CG,CAMLG,PPP3R2,PPIF}

> <pathway_gtopdb>
{Transporter,"Membrane receptor",Enzyme,"Unclassified protein","Other nuclear protein","Other cytosolic protein","Epigenetic regulator","Secreted protein","Ion channel","Primary active transporter","F
amily A G protein-coupled receptor",Hydrolase,Protease,Reader,Isomerase,"Electrochemical transporter",Kinase,"Cytochrome P450",Phosphatase,Transferase,"Voltage-gated ion channel","ATP-binding cassette
","Peptide receptor (family A GPCR)","Cysteine protease",Bromodomain,"SLC superfamily of solute carriers","Protein Kinase","Cytochrome P450 family 3","Cytochrome P450 family 2","Protein Phosphatase","
P-type ATPase","Voltage-gated calcium channel","ABCB subfamily","ABCC subfamily","Short peptide receptor (family A GPCR)","Cysteine protease CA clan","SLC21/SLCO family of organic anion transporting p
olypeptides","Atypical protein kinase group","N-formyl methionyl peptide receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Serine/threonine protein phosphatase","Calcium ATPase","SLC1
0 family of sodium-bile acid co-transporters","ABCG subfamily","Neuropeptide receptor","Cysteine protease C1A family","Atypical protein kinase PIKK family","Cytochrome P450 3A4","Cytochrome P450 2C19"
,"Cytochrome P450 2C9","Neurokinin receptor","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Transporters,Receptors,Enzymes,"Other protein targets","Ion channels","ATP-binding cassette transporter family","G protein-coupled receptors","Peptidyl-prolyl cis/trans isomerases","SLC superfamily o
f solute carriers","Kinases (EC 2.7.x.x)","Cytochrome P450","P-type ATPases","UDP glucuronosyltransferases (UGT)","Anti-infective targets","Voltage-gated ion channels","ABCB subfamily","ABCC subfamily
","Neuropeptide S receptor","SLCO family of organic anion transporting polypeptides",Atypical,"Formylpeptide receptors","CYP3 family","CYP2 family: drug metabolising subset","P2A P-type ATPases: Ca<su
p>2+</sup>-ATPases","Viral protein targets","SLC10 family of sodium-bile acid co-transporters","ABCG subfamily","Voltage-gated calcium channels","Tachykinin receptors","Lipid modifying kinases","Phosp
hatidyl inositol 3' kinase-related kinases (PIKK) family","Coronavirus (CoV) proteins",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"DNA Repair","Vesicle-mediated transport","Cell Cycle","Neuronal System","Developmental Biology","Gene expression (Transcription)","Muscle contraction","Signal Transduction","Cellu
lar responses to external stimuli","Extracellular matrix organization",Hemostasis,"Transport of small molecules","Protein localization","Abacavir transport and metabolism","Disorders of transmembrane 
transporters","Infectious disease","Metabolism of lipids","Base Excision Repair","DNA Double-Strand Break Repair","Membrane Trafficking",Mitotic,"Transmission across Chemical Synapses","Nervous system
 development","RNA Polymerase II Transcription","Cardiac conduction","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second messengers","Biological oxidations","Sig
naling by Nuclear Receptors","Cellular responses to stress","Collagen formation","Platelet homeostasis","Diseases of metabolism","SLC-mediated transmembrane transport","Insertion of tail-anchored prot
eins into the endoplasmic reticulum membrane","Abacavir transmembrane transport","ABC transporter disorders","Leishmania infection","Metabolism of steroids","Resolution of Abasic Sites (AP sites)","Ho
mology Directed Repair","trans-Golgi Network Vesicle Budding","M Phase","Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediate
d initiation of Schwann cell myelination","HIV Infection","Generic Transcription Pathway","Ion homeostasis","GPCR ligand binding","Signaling by TGF-beta Receptor Complex in Cancer","Biosynthesis of sp
ecialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","ESR-mediated signaling","Cellular response to heat stress","GPCR downstream signalling","Collagen biosynthesis and 
modifying enzymes","Platelet calcium homeostasis","Metabolic disorders of biological oxidation enzymes","SARS-CoV Infections","Fatty acid metabolism","Axon guidance","Transport of vitamins",nucleoside
s,"and related molecules","Phospholipid metabolism","Defective ABCC2 causes DJS","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Resolution of AP sites via the multiple
-nucleotide patch replacement pathway","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Golgi Associated Vesicle Biogenesis","Mitotic Metaphase and Anaphase","G1/S Transi
tion","Activation of NMDA receptors and postsynaptic events","HIV Life Cycle","Transcriptional Regulation by TP53","Class A/1 (Rhodopsin-like receptors)","Loss of Function of TGFBR1 in Cancer","Biosyn
thesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","HSF1-dependent transactivation","G alpha (i) signalling events","Reduction of cytosolic Ca++ levels","Defective UGT1A1 cause
s hyperbilirubinemia","SARS-CoV-2 Infection","Transcriptional regulation by RUNX1","Arachidonic acid metabolism","Defective UGT1A4 causes hyperbilirubinemia","NCAM signaling for neurite out-growth","T
ransport of organic anions","PI Metabolism","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts","PCNA-Dependent Long Patch Base Excision Repai
r","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Activation of the pre-replicative complex","Post NMDA receptor activation events","Early Phase of HIV Life Cycle","Recycling of bile
 acids and salts","Regulation of TP53 Activity","Peptide ligand-binding receptors","TGFBR1 LBD Mutants in Cancer","Biosynthesis of maresins",Xenobiotics,"Attenuation phase","Opioid Signalling","SARS-C
oV-2 Genome Replication and Transcription","RUNX1 and FOXP3 control the development of regulatory T lymphocytes (Tregs)","Synthesis of Leukotrienes (LT) and Eoxins (EX)","NCAM1 interactions","Synthesi
s of PIPs at the plasma membrane","ADORA2B mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Homologous DNA Pairing and Strand Ex
change","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Reverse Transcription of HIV RNA","Regulation of TP53 Expression and Degradation","Formyl peptide receptors bind f
ormyl peptides and many other ligands","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","DARPP-32 events","Replication of the SARS-CoV-2 genome","Tachykinin receptors bind tachykinins","Presynap
tic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Minus-strand DNA synthesis","Regulation of TP53 Degradation"}

> <broad_targets>
{ABCB11,CAMLG,FPR1,PPIA,PPIF,PPP3CA,PPP3R2,SLC10A1,SLCO1B1,SLCO1B3}

> <broad_moa>
{"calcineurin inhibitor"}

> <synonyms>
{"cyclosporin A",cyclosporine,"Cyclosporine A",Cyclosporin,59865-13-3,59865133,"Antibiotic S 7481F1","Ciclosporin A",SR-01000075490,SR01000075490,NSC290193,NSC-290193,"Sandimmune (TN)","Restasis (TN)"
,83602-39-5,83602395,"Gengraf (TN)","Cyclosporin A, Tolypocladium inflatum",1101,1502202,"Cyclosporin A",CYCLOSPORINE}

> <pdid>
PD001363

> <targets>
{}

> <classes>
{immunosuppressant}

> <pubchem_cids>
{5280754}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    5.0987   -3.3752    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -3.9051   -5.2503    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
    1.2911   -5.2504    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 12  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11937

> <plate>
PLATE 013

> <well>
C7

> <supplier_cmpd_name>
Mepivacaine hydrochloride

> <ctcr_id>
11083

> <supplier_cmpd_id>
T0946

> <smiles>
Cl.CN1CCCCC1C(=O)Nc1c(C)cccc1C

> <pd_targets>
{SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <pathway_gtopdb>
{"Ion channel","Voltage-gated ion channel","Voltage-gated sodium channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Voltage-gated sodium channels"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","L1CAM interactions","Interaction between L1 and Ankyrins"}

> <broad_targets>
{}

> <broad_moa>
{"potassium channel blocker","sodium channel blocker"}

> <synonyms>
{"Mepivacaine hydrochloride",1722-62-9,1722629,"Mepivacaine HCL","N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide hydrochloride","N(2,6dimethylphenyl)1methylpiperidine2carboxamide hydrochlorid
e",Carbocain,"Mepivacaine (hydrochloride)",Polocaine-Mpf,PolocaineMpf,N-(2,N(2,6-Dimethylphenyl)-1-methyl-2-piperidine,6Dimethylphenyl)1methyl2piperidine,T0946}

> <pdid>
PD009616

> <targets>
{"Sodium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{66070}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    2.2703   -4.0022    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -0.6870   -2.7320    0.0000 O   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.2586   -6.9331    0.0000 O   0  0
   -0.7235   -8.0679    0.0000 C   0  0
   -2.1965   -7.7844    0.0000 C   0  0
   -0.2330   -9.4854    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  6
 14 16  1  0
 16  5  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 21  4  1  0
 21 22  1  6
 21 23  1  0
 23  2  1  0
 23 24  1  1
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11938

> <plate>
PLATE 013

> <well>
C8

> <supplier_cmpd_name>
Dexamethason acetate

> <ctcr_id>
1443

> <supplier_cmpd_id>
T0947

> <smiles>
C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O

> <pd_targets>
{HIF1A,NR1I2,NR3C1,ANXA1,NOS2,NR0B1}

> <pathway_gtopdb>
{"Transcription factor","Ion channel",Enzyme,"Nuclear receptor","Other ion channel","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3",Annexin,"Nuclear hormone receptor subf
amily 0","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group I memb
er 2","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 0 group B member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","L-Arginine turnover","1I. Vitamin D receptor-like receptors","Steroid hormone receptors","Nitric oxide synthases","0B. DAX-like receptors","3C. 3-Ketost
eroid receptors"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Metabolism of proteins","Gene expression (Transcription)","Signal Transduction",Disease,"Cellular responses to stress","Post-translational protein modificati
on","RNA Polymerase II Transcription","Signaling by GPCR","Infectious disease","Cellular response to hypoxia",SUMOylation,"Generic Transcription Pathway","GPCR ligand binding","Infection with Mycobact
erium tuberculosis","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","SUMO E3 ligases SUMOylate target proteins","FOXO-mediated transcription","Class A/1 (Rhodopsin-like rece
ptors)","Response of Mtb to phagocytosis","Nuclear Receptor transcription pathway","SUMOylation of intracellular receptors","FOXO-mediated transcription of oxidative stress","metabolic and neuronal ge
nes","Peptide ligand-binding receptors","Suppression of phagosomal maturation","Formyl peptide receptors bind formyl peptides and many other ligands","Inhibition of nitric oxide production"}

> <broad_targets>
{}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{Dexamethasone-21-acetate,Dexamethasone21acetate,1177-87-3,1177873,Dexamethasone21-acetate,Spectrum_000900,Spectrum000900,Spectrum-000900,"Spectrum 000900",Spectrum2_001031,Spectrum2001031,Spectrum2-0
01031,"Spectrum2 001031",Spectrum3_000380,Spectrum3000380,Spectrum3-000380,"Spectrum3 000380",Spectrum4_000501,Spectrum4000501,Spectrum4-000501,"Spectrum4 000501",Spectrum5_000835,Spectrum5000835,Spec
trum5-000835,"Spectrum5 000835",BSPBio_002139,BSPBio002139,BSPBio-002139,"BSPBio 002139",KBioGR_001041,KBioGR001041,KBioGR-001041,"KBioGR 001041",KBioSS_001380,KBioSS001380,KBioSS-001380,"KBioSS 00138
0",DivK1c_000865,DivK1c000865,DivK1c-000865,"DivK1c 000865",SPECTRUM1500231,SPBio_001241,SPBio001241,SPBio-001241,"SPBio 001241",SCH,T0947,1500231,"Dexamethason acetate","DEXAMETHASONE ACETATE"}

> <pdid>
PD000314

> <targets>
{}

> <classes>
{glucocorticoid,antiinflammatory}

> <pubchem_cids>
{5702036}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  1  0            999 V2000
    7.7052    2.4566    0.0000 Na  0  3
    0.1194   -2.3933    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    2.2393   -0.8534    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0  2  0  0  0
   -0.8796    2.4866    0.0000 C   0  0  2  0  0  0
   -0.6422    3.9624    0.0000 N   0  0
    0.7599    4.4978    0.0000 C   0  0
    1.9236    3.5514    0.0000 O   0  0
    0.9982    5.9795    0.0000 C   0  0
    2.4003    6.5149    0.0000 C   0  0
    2.6407    7.9956    0.0000 C   0  0
    4.0431    8.5278    0.0000 C   0  0
    5.2052    7.5794    0.0000 C   0  0
    4.9649    6.0988    0.0000 C   0  0
    3.5625    5.5665    0.0000 C   0  0
   -2.0931    1.6049    0.0000 C   0  0
   -3.5746    1.8395    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  5
   -3.1247   -2.0836    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  7 18  1  0
 18 19  2  0
 18 20  1  0
 20  6  1  0
 20 21  1  0
 21  3  1  0
 21 22  1  6
 22 23  1  0
 22 24  2  0
M  CHG  2   1   1  23  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11939

> <plate>
PLATE 013

> <well>
C9

> <supplier_cmpd_name>
Penicillin G sodium salt

> <ctcr_id>
4398

> <supplier_cmpd_id>
T0958

> <smiles>
[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{69-57-8,69578,"Penicillin G sodium","Penicillin G sodium salt","Benzylpenicillin sodium",Crystapen,"American penicillin","Pencillin G sodium","Sodium benzylpenicillinate","Monosodium benzylpenicillin
","Benzylpenicillinic acid sodium sa",T0958,S4160,Prestw-1078,"Penicillin G Sodium"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{101603129,23668834}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 16  0  0  0  0            999 V2000
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    2.0412   -5.8141    0.0000 C   0  0
    3.2310   -6.7275    0.0000 S   0  0
    4.4674   -5.8782    0.0000 C   0  0
    4.0417   -4.4399    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9  1  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11940

> <plate>
PLATE 013

> <well>
C10

> <supplier_cmpd_name>
Thiabendazole

> <ctcr_id>
3544

> <supplier_cmpd_id>
T0938

> <smiles>
[nH]1c2ccccc2nc1c3cscn3

> <pd_targets>
{RAB9A,TSHR,FKBP1A,SMN1,CYP2D6,MAP,POL,HIF1A,METAP1,TP53,CYP2C19,NPC1,PYK,CYP3A4,CYP1A2,KDM4E,METAP2,FRDA}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Transcription factor",Transporter,Hydrolase,"Family A G protein-coupled receptor",Isomerase,Reader,"Cytochrome P450",Protease,Transferase,Eraser,"Pe
ptide receptor (family A GPCR)","Methyl-lysine/arginine binding protein","Cytochrome P450 family 2","Metallo protease","Cytochrome P450 family 3","Cytochrome P450 family 1","Lysine demethylase","Small
 molecule receptor (family A GPCR)","Glycohormone receptor","Tudor domain","Cytochrome P450 family 2D","Metallo protease MG clan","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P4
50 family 1A","Jumonji domain-containing","Monoamine-derivative receptor (family A GPCR)","Cytochrome P450 2D6","Metallo protease M24A subfamily","Cytochrome P450 2C19","Cytochrome P450 3A4","Cytochro
me P450 1A1","Melatonin receptor"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Peptidyl-prolyl cis/trans isomerases","Cytochrome P450","Peptidases and proteinases","SLC superfamily of solute carriers","Chromatin modi
fying enzymes","Catalytic receptors","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","MG: Metallo (M) Peptidases","SLC65 NPC-type cholesterol transporters","CYP3 family","CYP1
 family","1.14.11.- Histone demethylases","Receptor guanylyl cyclase (RGC) family","M24: Methionyl aminopeptidase","Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Metabolism of RNA",Metabolism,"Cellular responses to external stimuli","Cell Cycle","Transport of small molecules","Signaling by Rho GTPases","Infectious disease","Dise
ases of signal transduction by growth factor receptors and second messengers","Metabolism of non-coding RNA","Biological oxidations","Cellular responses to stress","Signaling by GPCR","Cell Cycle Chec
kpoints","Plasma lipoprotein assembly",remodeling,"and clearance","Metabolism of lipids","Rho GTPase cycle","Leishmania infection","Signaling by TGF-beta Receptor Complex in Cancer","snRNP Assembly","
Phase I - Functionalization of compounds","Cellular response to hypoxia","GPCR downstream signalling","G1/S DNA Damage Checkpoints","Plasma lipoprotein clearance","Biosynthesis of specialized proresol
ving mediators (SPMs)","RHOBTB GTPase Cycle","Leishmania parasite growth and survival","Loss of Function of TGFBR1 in Cancer","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline h
ydroxylation of Hypoxia-inducible Factor Alpha","G alpha (i) signalling events","p53-Dependent G1/S DNA damage checkpoint","LDL clearance","Biosynthesis of DHA-derived SPMs","RHOBTB3 ATPase cycle","An
ti-inflammatory response favouring Leishmania parasite infection","TGFBR1 LBD Mutants in Cancer",Xenobiotics,"Visual phototransduction","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins
","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","The phototransduction cascade","Stabilization of p53","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydr
oxylated or N-dealkylated by CYP1A2",Inactivation,"recovery and regulation of the phototransduction cascade","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{}

> <broad_moa>
{"angiogenesis inhibitor"}

> <synonyms>
{thiabendazole,148-79-8,148798,Tiabendazole,Mintezol,2-(4-Thiazolyl)benzimidazole,2(4Thiazolyl)benzimidazole,Equizole,Thiabendazol,Tiabendazol,Mintesol,Omnizole,Thibenzole,Bovizole,Minzolum,Thiabenzol
e,Thibenzol,Thiaben,Testo,Lombristop,Bioguard,Eprofil,Mertect,Mycozol,Nemapan,T0938,SAM002564239,1500570,Prestw-524,Thiabendazole,CPD000058170,THIABENDAZOLE}

> <pdid>
PD001733

> <targets>
{Mitochondrial Metabolism,Parasite}

> <classes>
{anthelmintic,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5430}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    6.4099   -1.1887    0.0000 O   0  0
    4.9183   -1.0302    0.0000 C   0  0
    4.1697    0.2696    0.0000 N   0  0
    2.7022   -0.0406    0.0000 C   0  0
    1.9481    0.6162    0.0000 O   0  0
    2.5987   -1.5006    0.0000 C   0  0
    3.9134   -2.1439    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5956   -3.0018    0.0000 C   0  0
    3.8931   -3.7545    0.0000 C   0  0
    3.8899   -5.2545    0.0000 C   0  0
    2.5893   -6.0018    0.0000 C   0  0
    1.2919   -5.2491    0.0000 C   0  0
    1.2950   -3.7491    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  6 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11941

> <plate>
PLATE 013

> <well>
C11

> <supplier_cmpd_name>
Phenytoin

> <ctcr_id>
11084

> <supplier_cmpd_id>
T0939

> <smiles>
O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1

> <pd_targets>
{BLM,RORC,CYP2C9,NS1,CHRM1,GLA,PMP22,LMNA,THRB,LEF,SCN1A,SCN2A,SCN3A,KCNH2,ALD,ALDH1A1,IMPA1,MAPT,NFO,SCN4A,CACNA1C,CACNA1D,CACNA1F,CACNA1S,SCN5A,SCN10A,SCN11A,SCN7A,SCN8A,SCN9A,CACNA1A,CACNB1,CACNB2,
CACNB3,CACNB4}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Membrane receptor","Other nuclear protein","Ion channel","Other cytosolic protein","Nuclear receptor","Cytochrome P450","Family A G protein-coupl
ed receptor",Hydrolase,Protease,"Voltage-gated ion channel",Oxidoreductase,"Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Metallo protease
","Voltage-gated sodium channel","Potassium channels","Voltage-gated calcium channel","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 2C","Monoamine receptor","Nuclear hormone r
eceptor subfamily 1 group A","Metallo protease MAE clan","Voltage-gated potassium channel","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Acetylcholine receptor","Nucle
ar hormone receptor subfamily 1 group A member 2","Metallo protease M34 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Nuclear hormone receptors","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","Inositol phosphate turnover","1F. Retinoic acid-related orph
ans","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","1A. Thyroid hormone receptors","Potassium channels","Inositol monophosphatase","Voltage-gated sodium channels","Vol
tage-gated potassium channels"}

> <pathway_reactome>
{"DNA Repair","Gene expression (Transcription)",Metabolism,"Signal Transduction","Developmental Biology","Cell Cycle","Metabolism of proteins",Disease,"Muscle contraction","Neuronal System","DNA Doubl
e-Strand Break Repair","RNA Polymerase II Transcription","Biological oxidations","Signaling by GPCR","Metabolism of lipids","Nervous system development",Mitotic,"Post-translational protein modificatio
n","Infectious disease","Cardiac conduction","Inositol phosphate metabolism","Transmission across Chemical Synapses","Homology Directed Repair","Generic Transcription Pathway","Phase I - Functionaliza
tion of compounds","GPCR ligand binding","Sphingolipid metabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase",SUMOylation,"Uptake and actions of bacterial toxins","Phas
e 3 - rapid repolarisation","Synthesis of IP2",IP,"and Ins in the cytosol","Neurotransmitter receptors and postsynaptic signal transmission","Axon guidance","HDR through Homologous Recombination (HRR)
 or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Glycosphingolipid metabolism","Mitotic M
etaphase and Anaphase","SUMO E3 ligases SUMOylate target proteins","Uptake and function of anthrax toxins","Ethanol oxidation","Activation of NMDA receptors and postsynaptic events","L1CAM interaction
s","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cell Migration",Xenobiotics,"Amine ligand-binding receptors","Mitotic Anaphase","SUMOylation of intracellular recep
tors","Post NMDA receptor activation events","Interaction between L1 and Ankyrins","Homologous DNA Pairing and Strand Exchange","CYP2E1 reactions","Muscarinic acetylcholine receptors","Nuclear Envelop
e (NE) Reassembly","Activation of AMPK downstream of NMDARs","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"hydantoin antiepileptic"}

> <synonyms>
{phenytoin,"5,5-DIPHENYLHYDANTOIN","5,5DIPHENYLHYDANTOIN",57-41-0,57410,Diphenylhydantoin,Dilantin,"5,5-diphenylimidazolidine-2,4-dione","5,5diphenylimidazolidine2,4dione",Phenytoine,Dihydantoin,Alevi
atin,Dilabid,Diphantoin,Diphenylan,Zentropil,Epamin,Diphedan,Fenylepsin,Lepitoin,Phentytoin,Sodanton,Difenin,D,T0939,Phenytoin}

> <pdid>
PD002756

> <targets>
{"Sodium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{1775}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 13  0  0  0  0            999 V2000
    6.3982   -1.8787    0.0000 Cl  0  0
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
 14  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11942

> <plate>
PLATE 013

> <well>
D2

> <supplier_cmpd_name>
Adrenalone hydrochloride

> <ctcr_id>
6736

> <supplier_cmpd_id>
T0948

> <smiles>
Cl.CNCC(=O)c1ccc(O)c(O)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ADRA1A}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{AKOS026749981,"Adrenalone hydrochloride",62-13-5,62135,"ADRENALONE HCL","Adrenone hydrochloride","Kephrine hydrochloride","Epinephrine ketone hydrochloride","3',4'-Dihydroxy-2-(methylamino)acetopheno
ne hydrochloride","3',4'Dihydroxy2(methylamino)acetophenone hydrochloride",UNII-NN82YWE2IC,UNIINN82YWE2IC,Adrenalone,T0948,S3185,"Adrenalone HCl"}

> <pdid>
PD013683

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{74764544,44722464,66136}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3032   -3.7490    0.0000 N   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3032    3.7490    0.0000 O   0  0
    1.2946    3.7531    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  3  9  1  0
  9 10  2  0
  9 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11943

> <plate>
PLATE 013

> <well>
D3

> <supplier_cmpd_name>
Amstat

> <ctcr_id>
4348

> <supplier_cmpd_id>
T0949

> <smiles>
C1CC(CCC1CN)C(=O)O

> <pd_targets>
{PLG,LMNA}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease PA clan","Serine protease S1A subfamily","Other nuclear protein"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PA: Serine (S) Peptidases","S1: Chymotrypsin"}

> <pathway_reactome>
{Hemostasis,"Platelet activation","signaling and aggregation","Response to elevated platelet cytosolic Ca2+","Platelet degranulation","Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","M
itotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{PLG}

> <broad_moa>
{antifibrinolytic,"plasminogen activator inhibitor"}

> <synonyms>
{"tranexamic acid",1197-18-8,1197188,Cyklokapron,"trans-4-(Aminomethyl)cyclohexanecarboxylic acid","trans4(Aminomethyl)cyclohexanecarboxylic acid",Tranexamsaeure,"4-(Aminomethyl)cyclohexanecarboxylic 
acid","4(Aminomethyl)cyclohexanecarboxylic acid",Amstat,"Trans AMCHA","Tranhexamic acid",Transamin,Tamcha,trans-Amcha,transAmcha,Amikapron,Anvitoff,T0949,1502026,Prestw-171,"TRANEXAMIC ACID","Tranexam
ic acid"}

> <pdid>
PD001423

> <targets>
{}

> <classes>
{hemostatic}

> <pubchem_cids>
{5526}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 47 49  0  0  1  0            999 V2000
   -3.8763    8.2639    0.0000 N   0  0
   -2.5814    7.5068    0.0000 C   0  0
   -2.5887    6.0060    0.0000 C   0  0  1  0  0  0
   -1.2918    5.2523    0.0000 O   0  0
   -1.2961    3.7523    0.0000 C   0  0  2  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  2  0  0  0
    1.3092    5.2494    0.0000 C   0  0  1  0  0  0
    0.0127    6.0039    0.0000 N   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2088    5.9860    0.0000 N   0  0
    3.9020    3.7405    0.0000 C   0  0  2  0  0  0
    5.1985    2.9860    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0  1  0  0  0
    2.5984    1.4941    0.0000 O   0  0
    3.8966    0.7411    0.0000 C   0  0  2  0  0  0
    5.2480    1.3622    0.0000 O   0  0
    6.2518    0.2476    0.0000 C   0  0  2  0  0  0
    7.7415    0.4074    0.0000 C   0  0
    8.3495    1.7786    0.0000 O   0  0
    5.5018   -1.0515    0.0000 C   0  0  1  0  0  0
    6.1141   -2.4189    0.0000 O   0  0
    7.6070   -2.5736    0.0000 C   0  0  1  0  0  0
    8.4845   -1.3569    0.0000 O   0  0
    9.9768   -1.5084    0.0000 C   0  0  1  0  0  0
   10.8522   -0.2893    0.0000 C   0  0
   10.2353    1.0779    0.0000 N   0  0
   10.5917   -2.8766    0.0000 C   0  0  1  0  0  0
   12.0841   -3.0281    0.0000 O   0  0
    9.7143   -4.0932    0.0000 C   0  0  2  0  0  0
   10.3293   -5.4614    0.0000 O   0  0
    8.2220   -3.9417    0.0000 C   0  0  1  0  0  0
    7.3447   -5.1584    0.0000 N   0  0
    4.0346   -0.7397    0.0000 C   0  0  1  0  0  0
    2.9140   -1.7368    0.0000 O   0  0
   -2.5973    3.0060    0.0000 C   0  0  2  0  0  0
   -2.6015    1.5060    0.0000 N   0  0
   -3.8942    3.7597    0.0000 C   0  0  1  0  0  0
   -5.1953    3.0133    0.0000 O   0  0
   -3.8899    5.2597    0.0000 C   0  0  2  0  0  0
   -5.1868    6.0133    0.0000 O   0  0
   15.8848    1.7711    0.0000 O   0  0
   15.8848    0.2711    0.0000 S   0  0
   15.8848   -1.2289    0.0000 O   0  0
   14.5855   -0.4785    0.0000 O   0  0
   17.1841   -0.4785    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  6
  7  6  1  6
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  6
 13 15  1  0
 15  7  1  0
 15 16  1  1
 17 16  1  6
 17 18  1  0
 18 19  1  0
 19 20  1  6
 20 21  1  0
 19 22  1  0
 22 23  1  1
 24 23  1  1
 24 25  1  0
 25 26  1  0
 26 27  1  1
 27 28  1  0
 26 29  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  6
 31 33  1  0
 33 24  1  0
 33 34  1  1
 22 35  1  0
 35 17  1  0
 35 36  1  1
  5 37  1  0
 37 38  1  6
 37 39  1  0
 39 40  1  1
 39 41  1  0
 41  3  1  0
 41 42  1  6
 43 44  1  0
 44 45  1  0
 44 46  2  0
 44 47  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11944

> <plate>
PLATE 013

> <well>
D4

> <supplier_cmpd_name>
Neomycin sulfate

> <ctcr_id>
1983

> <supplier_cmpd_id>
T0950

> <smiles>
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O.O[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"NEOMYCIN SULFATE","Framycetin sulfate","Neomycin B sulfate",1405-10-3,1405103,"1405 10 3","Fradiomycin sulfate",28002-70-2,28002702,"28002 70 2","Framycetin sulphate","Framycin sulfate","Neomycin su
lphate",CHEBI:53636,"Neomycin B sulph",Prestw-158,"Neomycin sulfate"}

> <pdid>
PD007969

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{197162}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    0.4281   -3.2466    0.0000 C   0  0
    1.2925   -3.7494    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 I   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 I   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -2.5000    0.0000 I   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  5  1  0
 13 14  1  0
  3 15  1  0
 15 16  1  0
 15 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11945

> <plate>
PLATE 013

> <well>
D5

> <supplier_cmpd_name>
Iopanoic acid

> <ctcr_id>
3614

> <supplier_cmpd_id>
T0960

> <smiles>
CCC(Cc1c(I)cc(I)c(N)c1I)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"thyroid hormone inhibitor"}

> <synonyms>
{"IOPANOIC ACID","Iodopanoic acid",96-83-3,96833,Telepaque,"iopanic acid",Cholevid,Iopagnost,Polognost,Iopanoicum,"Jopanoic acid","2-(3-Amino-2,4,6-triiodobenzyl)butanoic acid","2(3Amino2,4,6triiodobe
nzyl)butanoic acid",Bilijodon,Choladine,Cistobil,Colepax,Copanoic,Jopagnost,2-(3-Amino-2,2(3Amino2,T0960,1503923,Prestw-1052,"Iopanoic acid","IOPANIC ACID"}

> <pdid>
PD000806

> <targets>
{}

> <classes>
{"radioopaque agent"}

> <pubchem_cids>
{3735}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8926   -3.7566    0.0000 O   0  0
   -1.2948   -3.7517    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 O   0  0
    3.8926    3.7566    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  8 13  2  0
 13  4  1  0
  5 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11946

> <plate>
PLATE 013

> <well>
D6

> <supplier_cmpd_name>
Ethopabate

> <ctcr_id>
11085

> <supplier_cmpd_id>
T0959

> <smiles>
CCOc1c(ccc(NC(=O)C)c1)C(=O)OC

> <pd_targets>
{NA,TDP1}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"DNA Repair","DNA Double-Strand Break Repair","Nonhomologous End-Joining (NHEJ)"}

> <broad_targets>
{}

> <broad_moa>
{"antiprotozoal agent"}

> <synonyms>
{ETHOPABATE,"Methyl 4-acetamido-2-ethoxybenzoate","Methyl 4acetamido2ethoxybenzoate",59-06-3,59063,"Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester","Benzoic acid, 4(acetylamino)2ethoxy, methyl 
ester",UNII-F4X3L6068O,UNIIF4X3L6068O,"Methyl 4-(acetylamino)-2-ethoxybenzoate","Methyl 4(acetylamino)2ethoxybenzoate",MFCD00075809,Ethopabat,F4X3L6068O,NCGC00160624-01,NCGC0016062401,DSSTox_CID_26264
,DSSToxCID26264,DSSTox-CID-26264,"DSSTox CID 26264",DSSTox,T0959,Ethopabate}

> <pdid>
PD000421

> <targets>
{"Folate metabolism"}

> <classes>
{Others}

> <pubchem_cids>
{6034}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

123135  0  0  1  0            999 V2000
    7.3451    8.5526    0.0000 C   0  0
    7.3433    7.0526    0.0000 C   0  0
    8.6417    6.2999    0.0000 C   0  0  2  0  0  0
    9.9419    7.0479    0.0000 C   0  0
    8.6400    4.8000    0.0000 C   0  0  1  0  0  0
    7.4100    4.0000    0.0000 O   0  0
    7.4100    2.4100    0.0000 C   0  0  2  0  0  0
    7.4100    0.7000    0.0000 C   0  0
    6.1800    0.0000    0.0000 C   0  0  2  0  0  0
    4.9400    0.7000    0.0000 C   0  0
    4.9400    2.4100    0.0000 C   0  0  1  0  0  0
    3.7100    3.2100    0.0000 C   0  0
    2.4800    2.4100    0.0000 C   0  0
    1.2500    3.2100    0.0000 C   0  0
    1.2500    4.7100    0.0000 C   0  0
    0.0200    2.4100    0.0000 C   0  0  1  0  0  0
   -1.2647    3.1854    0.0000 O   0  0
   -1.2351    4.6859    0.0000 C   0  0  1  0  0  0
   -2.5181    5.4633    0.0000 C   0  0
   -2.4864    6.9630    0.0000 C   0  0  2  0  0  0
   -3.7717    7.7380    0.0000 O   0  0
   -5.0852    7.0137    0.0000 C   0  0
   -1.1719    7.6854    0.0000 C   0  0  1  0  0  0
   -1.1433    9.1860    0.0000 O   0  0
   -2.4280    9.9618    0.0000 C   0  0  1  0  0  0
   -2.4016   11.4616    0.0000 C   0  0
   -3.6873   12.2344    0.0000 C   0  0  2  0  0  0
   -3.6577   13.7349    0.0000 O   0  0
   -2.3446   14.4600    0.0000 C   0  0
   -4.9993   11.5074    0.0000 C   0  0  1  0  0  0
   -6.2849   12.2802    0.0000 O   0  0
   -5.0258   10.0076    0.0000 C   0  0  2  0  0  0
   -6.3378    9.2807    0.0000 C   0  0
   -3.7402    9.2348    0.0000 O   0  0
    0.1111    6.9081    0.0000 C   0  0  2  0  0  0
    1.4256    7.6306    0.0000 C   0  0
    0.0794    5.4085    0.0000 O   0  0
    0.0200    0.7000    0.0000 C   0  0  1  0  0  0
   -1.2767   -0.0540    0.0000 C   0  0
    1.2500    0.0000    0.0000 C   0  0
    1.2500   -1.6800    0.0000 C   0  0
    2.4800   -2.4800    0.0000 C   0  0
    2.4800   -4.1900    0.0000 C   0  0
    1.2500   -4.9900    0.0000 C   0  0
    1.2500   -6.5900    0.0000 O   0  0
    3.7100   -6.5900    0.0000 C   0  0  2  0  0  0
    4.9400   -7.5000    0.0000 C   0  0  2  0  0  0
    4.9371   -9.0000    0.0000 O   0  0
    6.1800   -6.5900    0.0000 C   0  0
    6.1800   -4.9900    0.0000 C   0  0
    4.9400   -4.1900    0.0000 C   0  0  1  0  0  0
    4.9400   -2.4800    0.0000 C   0  0
    3.6228   -1.7623    0.0000 O   0  0
    6.1800   -1.6800    0.0000 O   0  0
    3.7100   -4.9900    0.0000 C   0  0  2  0  0  0
    3.7100   -3.4900    0.0000 O   0  0
    7.5181   -7.2678    0.0000 C   0  0
    6.1800    3.2100    0.0000 O   0  0
    8.6400    1.6100    0.0000 C   0  0
    9.8600    2.4100    0.0000 C   0  0
    9.8600    4.0000    0.0000 C   0  0  2  0  0  0
   11.1798    4.7128    0.0000 C   0  0
   13.6805    8.1405    0.0000 C   0  0
   13.7048    9.6403    0.0000 O   0  0
   15.0161   10.3704    0.0000 C   0  0  1  0  0  0
   16.3017    9.5976    0.0000 C   0  0
   17.6139   10.3246    0.0000 C   0  0  2  0  0  0
   18.8986    9.5487    0.0000 O   0  0
   18.8700    8.0482    0.0000 C   0  0  1  0  0  0
   20.1530    7.2709    0.0000 C   0  0  2  0  0  0
   21.4676    7.9933    0.0000 C   0  0
   20.1213    5.7713    0.0000 O   0  0
   18.8068    5.0487    0.0000 C   0  0  2  0  0  0
   17.5238    5.8261    0.0000 C   0  0
   17.5555    7.3257    0.0000 C   0  0  2  0  0  0
   16.2702    8.1008    0.0000 O   0  0
   14.9567    7.3764    0.0000 C   0  0
   18.7772    3.5482    0.0000 O   0  0
   20.0619    2.7728    0.0000 C   0  0  1  0  0  0
   20.0619    1.0628    0.0000 C   0  0  1  0  0  0
   18.7652    0.3087    0.0000 C   0  0
   21.2919    0.3628    0.0000 C   0  0
   21.2919   -1.3172    0.0000 C   0  0
   22.5219   -2.1172    0.0000 C   0  0
   22.5219   -3.8272    0.0000 C   0  0
   21.2919   -4.6272    0.0000 C   0  0
   21.2919   -6.2272    0.0000 O   0  0
   23.7519   -6.2272    0.0000 C   0  0  2  0  0  0
   24.9819   -7.1372    0.0000 C   0  0  2  0  0  0
   24.9790   -8.6372    0.0000 O   0  0
   26.2219   -6.2272    0.0000 C   0  0
   26.2219   -4.6272    0.0000 C   0  0
   24.9819   -3.8272    0.0000 C   0  0  1  0  0  0
   24.9819   -2.1172    0.0000 C   0  0
   23.6648   -1.3995    0.0000 O   0  0
   26.2219   -1.3172    0.0000 O   0  0
   26.2219    0.3628    0.0000 C   0  0  1  0  0  0
   24.9819    1.0628    0.0000 C   0  0
   24.9819    2.7728    0.0000 C   0  0  1  0  0  0
   23.7519    3.5728    0.0000 C   0  0
   22.5219    2.7728    0.0000 C   0  0
   21.2919    3.5728    0.0000 C   0  0
   21.2919    5.0728    0.0000 C   0  0
   26.2219    3.5728    0.0000 O   0  0
   27.4519    2.7728    0.0000 C   0  0  1  0  0  0
   27.4519    1.0628    0.0000 C   0  0
   27.4519    4.3628    0.0000 O   0  0
   28.6819    5.1628    0.0000 C   0  0  2  0  0  0
   28.6836    6.6626    0.0000 C   0  0
   27.3860    7.4150    0.0000 C   0  0
   29.9838    7.4107    0.0000 C   0  0
   29.9019    4.3628    0.0000 C   0  0  1  0  0  0
   31.2217    5.0756    0.0000 C   0  0
   29.9019    2.7728    0.0000 C   0  0
   28.6819    1.9728    0.0000 C   0  0
   23.7519   -4.6272    0.0000 C   0  0  2  0  0  0
   23.7519   -3.1272    0.0000 O   0  0
   27.5600   -6.9050    0.0000 C   0  0
   17.6402   11.8243    0.0000 O   0  0
   16.3546   12.5971    0.0000 C   0  0  1  0  0  0
   16.3811   14.0969    0.0000 C   0  0
   15.0426   11.8702    0.0000 C   0  0  2  0  0  0
   13.7570   12.6430    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  6
  7  6  1  6
  7  8  1  0
  9  8  1  1
  9 10  1  0
 11 10  1  1
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  6
 18 17  1  1
 18 19  1  0
 19 20  1  0
 20 21  1  6
 21 22  1  0
 20 23  1  0
 23 24  1  1
 25 24  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  1
 28 29  1  0
 27 30  1  0
 30 31  1  6
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 25  1  0
 23 35  1  0
 35 36  1  6
 35 37  1  0
 37 18  1  0
 16 38  1  0
 38 39  1  6
 38 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 46 45  1  1
 46 47  1  0
 47 48  1  1
 47 49  1  0
 49 50  2  3
 51 50  1  6
 51 52  1  0
 52 53  2  0
 52 54  1  0
 54  9  1  0
 51 55  1  0
 55 43  1  0
 55 46  1  0
 55 56  1  6
 49 57  1  0
 11 58  1  0
 58  7  1  0
  7 59  1  0
 59 60  2  3
 60 61  1  0
 61  5  1  0
 61 62  1  1
 63 64  1  0
 65 64  1  6
 65 66  1  0
 66 67  1  0
 67 68  1  1
 69 68  1  1
 69 70  1  0
 70 71  1  6
 70 72  1  0
 72 73  1  0
 73 74  1  0
 74 75  1  0
 75 69  1  0
 75 76  1  6
 76 77  1  0
 73 78  1  1
 79 78  1  6
 79 80  1  0
 80 81  1  6
 80 82  1  0
 82 83  2  0
 83 84  1  0
 84 85  2  0
 85 86  1  0
 86 87  1  0
 88 87  1  1
 88 89  1  0
 89 90  1  1
 89 91  1  0
 91 92  2  3
 93 92  1  6
 93 94  1  0
 94 95  2  0
 94 96  1  0
 97 96  1  1
 97 98  1  0
 99 98  1  1
 99100  1  0
100101  1  0
101102  2  0
102 79  1  0
102103  1  0
 99104  1  0
105104  1  1
105106  1  0
106 97  1  0
105107  1  0
107108  1  0
108109  1  6
109110  1  0
109111  1  0
108112  1  0
112113  1  1
112114  1  0
114115  2  3
115105  1  0
 93116  1  0
116 85  1  0
116 88  1  0
116117  1  6
 91118  1  0
 67119  1  0
119120  1  0
120121  1  6
120122  1  0
122 65  1  0
122123  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11947

> <plate>
PLATE 013

> <well>
D7

> <supplier_cmpd_name>
Abamectin

> <ctcr_id>
15277

> <supplier_cmpd_id>
T0956

> <smiles>
CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=
C[C@@H]1C.CO[C@H]8C[C@H](O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]%10[C@@H](C)\C=C\C=C\%11/CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)O[C@H]%13C[C@@H](C\C=C\%10/C)O[C@@]%14(C%13)O[C@H](C(C)C)[C@@H](C)C=C%14)[C@
]%11%12O)C)O[C@@H](C)[C@@H]8O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Abamectin,"Avermectin B1a-Avermectin B1b mixt.",HY-15311,"Avermectin B1","Avermectin B1"}

> <pdid>
PD036188

> <targets>
{Antibiotic,Autophagy,Parasite}

> <classes>
{Anti-infection,Autophagy}

> <pubchem_cids>
.

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    6.4971   -0.7566    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    3.8919   -5.2525    0.0000 C   0  0
    1.2971   -3.7515    0.0000 C   0  0
    0.4310   -3.2517    0.0000 O   0  0
    1.2969   -5.2523    0.0000 O   0  0
   -0.0025   -6.0034    0.0000 C   0  0
   -0.0026   -7.5034    0.0000 C   0  0
   -1.3016   -5.2537    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 O   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8984    0.7484    0.0000 C   0  0
    5.1974    1.4985    0.0000 O   0  0
    2.5988    1.4990    0.0000 O   0  0
    2.5982    2.9990    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  2  1  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
  4 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  1  0
 22 23  2  3
 23 19  1  0
 23 15  1  0
  3 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11948

> <plate>
PLATE 013

> <well>
D8

> <supplier_cmpd_name>
Isradipine

> <ctcr_id>
5944

> <supplier_cmpd_id>
T0957

> <smiles>
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC

> <pd_targets>
{CACNA1F,CYP2C19,CYP3A4,CYP2C9,CACNA1C,ALOX15,CYP1A2,KMT2A,MEN1,CACNA1D,LEF,CYP2D6,CYP2C8,ABCB11,CACNA1S,CACNA2D1,CACNB2,CACNA1H,CACNA2D2}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Epigenetic regulator",Transporter,"Auxiliary transport protein","Voltage-gated ion channel","Cytochrome P450",Oxidoreductase,Reader,Protease,"Primary active transporter","Calciu
m channel auxiliary subunit alpha2delta family","Calcium channel auxiliary subunit beta family","Voltage-gated calcium channel","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 f
amily 1",Bromodomain,"Metallo protease","ATP-binding cassette","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Metallo protease MAE clan","Cytochrome P450 family 2
D","ABCB subfamily","Cytochrome P450 2C19","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 1A1","Metallo protease M34 family","Cytochrome P450 2D6","Cytochrome P450 2C8"}

> <pathway_chembl>
{"Ion channels",Enzymes,Transporters,"Voltage-gated ion channels","Cytochrome P450","Eicosanoid turnover","ATP-binding cassette transporter family","Voltage-gated calcium channels","CYP2 family: drug 
metabolising subset","CYP3 family",Lipoxygenases,"CYP1 family","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,"Developmental Biology",Disease,"Biological oxidations","Metabolism of lipids","Nervous system development","Infectious disease","Integration of energy metabolism","Phase I - Functionaliza
tion of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Axon guidance","Uptake and actions of bacterial toxins","Metabolism of steroids","Regulation of insulin secretion","Cyto
chrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","NCAM signaling for neurite out-growth","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Bile ac
id and bile salt metabolism",Adrenaline,"noradrenaline inhibits insulin secretion",Xenobiotics,"Biosynthesis of maresins","NCAM1 interactions","Biosynthesis of DPAn-3 SPMs","Synthesis of bile acids an
d bile salts","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Synth
esis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{CACNA1D,CACNA1F,CACNA2D1}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{KBio2_005834,KBio2005834,KBio2-005834,"KBio2 005834",isradipine,75695-93-1,75695931,DynaCirc,Isradipin,Lomir,Isrodipine,Prescal,Esradin,"Dynacirc CR",Clivoten,Dynacrine,"Isradipinum (Latin)","PN 200-
110","PN 200110","Isradipino (Spanish)",Rebriden,(+-)-Isradipine,(+)Isradipine,DynaCire,PN-200-110,PN200110,"DynaCire CR",(+/-)-I,(+/)I,SAM001246584,CPD000466320}

> <pdid>
PD010132

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3784}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    5.5018   -3.1369    0.0000 C   0  0
    4.0102   -3.2959    0.0000 C   0  0
    3.1255   -2.0835    0.0000 O   0  0
    1.6332   -2.2426    0.0000 C   0  0
    1.0255   -3.6140    0.0000 O   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -2.6401    0.8578    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11  6  1  0
 11 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11949

> <plate>
PLATE 013

> <well>
D9

> <supplier_cmpd_name>
Carbimazole

> <ctcr_id>
5111

> <supplier_cmpd_id>
T0952

> <smiles>
CCOC(=O)N1C=CN(C)C1=S

> <pd_targets>
{LPO,CYP1A2,LMNA,TPO}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Oxidoreductase,"Cytochrome P450","Cytochrome P450 family 1","Cytochrome P450 family 1A","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Thyroid hormone turnover","CYP1 family"}

> <pathway_reactome>
{"Immune System",Metabolism,"Cell Cycle","Innate Immune System","Biological oxidations",Mitotic,"Metabolism of amino acids and derivatives","ROS and RNS production in phagocytes","Phase I - Functional
ization of compounds","M Phase","Metabolism of amine-derived hormones","Events associated with phagocytolytic activity of PMN cells","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase a
nd Anaphase","Thyroxine biosynthesis",Xenobiotics,"Mitotic Anaphase","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelo
pe (NE) Reformation"}

> <broad_targets>
{TPO}

> <broad_moa>
{"antithyroid agent"}

> <synonyms>
{Carbimazole,22232-54-8,22232548,Carbimazol,Neomercazole,Carbethoxymethimazole,Carbinazole,Neo-Thyreostat,NeoThyreostat,Basolest,Thyrostat,Carbimazolum,TYRAZOL,"Carbimazolum (INN-Latin)","Carbimazolum
 (INNLatin)","Ethyl 3-methyl-2-thioimidazoline-1-carboxylate","Ethyl 3methyl2thioimidazoline1carboxylate","Carbimazol (INN-S","Carbimazol (INNS",T0952,1505323,Prestw-439,CARBIMAZOLE}

> <pdid>
PD000939

> <targets>
{}

> <classes>
{antithyroid}

> <pubchem_cids>
{31072}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  1  0            999 V2000
    8.1997   -8.6826    0.0000 N   0  0
    7.0325   -7.7405    0.0000 C   0  0
    5.5842   -8.1310    0.0000 S   0  0
    4.7653   -6.8742    0.0000 C   0  0
    5.7131   -5.7282    0.0000 C   0  0
    7.1086   -6.2424    0.0000 N   0  0
    5.3266   -4.2780    0.0000 C   0  0
    6.3873   -3.2163    0.0000 N   0  0
    5.9992   -1.7665    0.0000 O   0  0
    7.0599   -0.7048    0.0000 C   0  0
    6.6718    0.7450    0.0000 C   0  0
    5.2228    1.1330    0.0000 O   0  0
    7.7320    1.8061    0.0000 O   0  0
    3.8775   -3.8868    0.0000 C   0  0
    2.8152   -4.9458    0.0000 O   0  0
    3.4909   -2.4366    0.0000 N   0  0
    2.0479   -2.0470    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
  7 14  1  0
 14 15  2  0
 14 16  1  0
 17 16  1  6
 17 18  1  0
 18 19  1  6
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 18  1  0
 23 24  1  0
 24 17  1  0
 24 25  2  0
 22 26  1  0
 26 27  1  0
 26 28  2  0
 21 29  1  0
 29 30  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11950

> <plate>
PLATE 013

> <well>
D10

> <supplier_cmpd_name>
Cefixime

> <ctcr_id>
2555

> <supplier_cmpd_id>
T0932

> <smiles>
Nc1scc(n1)\C(=N\OCC(O)=O)C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(O)=O)C=C

> <pd_targets>
{APAF1,PSIP1,TDP1,L3MBTL1,SIRT5,PLCG1,ABCC2,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PSMD14,NADD,F2}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Epigenetic regulator",Transporter,Hydrolase,Reader,Eraser,"Primary active transporter",Protease,"Methyl-lysine/arginine binding protein","Histone deacetylase","ATP-bind
ing cassette","Serine protease","MBT domain","HDAC class III","ABCC subfamily","Serine protease SE clan","Serine protease S11 family",Transferase,"Metallo protease","Metallo protease MP clan","Serine 
protease PA clan","Metallo protease M67 family","Serine protease S1A subfamily","Metallo protease M67A subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Chromatin modifying enzymes","Glycerophospholipid turnover","ATP-binding cassette transporter family","3.5.1.- Histone deacetylases (HDACs)","Phosphoinositide-specific phospholi
pase C","ABCC subfamily","Peptidases and proteinases","MP: Metallo (M) Peptidases","PA: Serine (S) Peptidases","M67: PSMD14 peptidase","S1: Chymotrypsin"}

> <pathway_reactome>
{"Programmed Cell Death",Disease,"DNA Repair","Gene expression (Transcription)","Organelle biogenesis and maintenance",Apoptosis,"Infectious disease","DNA Double-Strand Break Repair","RNA Polymerase I
I Transcription","Mitochondrial biogenesis","Disorders of transmembrane transporters","Intrinsic Pathway for Apoptosis","HIV Infection","Nonhomologous End-Joining (NHEJ)","Generic Transcription Pathwa
y","Transcriptional activation of mitochondrial biogenesis","Leishmania infection","ABC transporter disorders","Apoptotic factor-mediated response","HIV Life Cycle","Transcriptional Regulation by TP53
","Leishmania parasite growth and survival","Defective ABCC2 causes DJS","Cytochrome c-mediated apoptotic response","Early Phase of HIV Life Cycle","Regulation of TP53 Activity","Anti-inflammatory res
ponse favouring Leishmania parasite infection","Formation of apoptosome","Integration of provirus","Regulation of TP53 Activity through Methylation","FCGR3A-mediated IL10 synthesis","Regulation of the
 apoptosome activity","2-LTR circle formation","Cell Cycle",Mitotic,"Diseases of hemostasis","Regulation of mitotic cell cycle","Defects of contact activation system (CAS) and kallikrein/kinin system 
(KKS)","APC/C-mediated degradation of cell cycle proteins","Defective factor VIII causes hemophilia A","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Defective F8 clea
vage by thrombin","APC/C:Cdc20 mediated degradation of mitotic proteins","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C 
mediated degradation of Cyclin A"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{CEFIXIME,(-)-Cefixim,Oroken,FK-027,"Cefixima (Spanish)",Suprax,UNII-XZ7BG04GJX,FR-17027,CL-284635,"FK 027","FR 17027","Cefixime Anhydrous",XZ7BG04GJX,MLS002222332,Cefixoral,CHEBI:472657,(E)-Cefixime,
CFIX,"Cefixime, 98","Cefixime hydrate",SMR001307271,Unixime,"CL 284,635",Necopen,Denvar,Tricef,"Cefixime (INN)","Cefixime (USAN:USP:INN:BAN:JAN)","BRN 6025058",PubChem13762,"CL 284635",Prestwick3_0004
62,CHEMBL1541,SCHEMBL24945,BSPBio_000564,BPBio1_000622,BDBM84007,cid_5362065,HMS2096M06,HMS2234J21,HMS3713M06,HY-B1381,MFCD00865020,s4596,ZINC12503147,AKOS015854940,AKOS015961135,AC-4350,AT-7061,CCG-2
20462,CS-4820,DB00671,NCGC00179521-01,NCGC00179521-03,AB0073052,AB00513842,50C371,A13697,C06881,D00258,X-2622,"Cefixime, Antibiotic for Culture Media Use Only",SR-01000760706,SR-01000760706-4,BRD-K710
59170-001-02-5,BRD-K71059170-001-08-2,Q27290799,C04,79350-37-1,Cefixima,Cefiximum,Cephoral,Cefspan,"Cefiximum (Latin)",Cefixim,T0932,Prestw-462,Cefixime}

> <pdid>
PD009856

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5362065}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9027    5.2517    0.0000 N   0  0
   -5.2032    5.9990    0.0000 C   0  0
   -6.5007    5.2464    0.0000 C   0  0
   -6.4977    3.7464    0.0000 C   0  0
   -5.1971    2.9990    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11951

> <plate>
PLATE 013

> <well>
D11

> <supplier_cmpd_name>
Sulfadiazine

> <ctcr_id>
5990

> <supplier_cmpd_id>
T0930

> <smiles>
Nc1ccc(cc1)[S](=O)(=O)Nc2ncccn2

> <pd_targets>
{CA2,LMNA,TSHR,AURKA,CA1,CA6,FOLP}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor",Lyase,"Family A G protein-coupled receptor",Kinase,Transferase,"Peptide receptor (family A GPCR)","Protein Kinase","Glycohormone receptor","Other pr
otein kinase group","Other protein kinase AUR family"}

> <pathway_chembl>
{Enzymes,Receptors,"Carbonic anhydrases","G protein-coupled receptors","Catalytic receptors","Glycoprotein hormone receptors","Receptor kinases","Other protein kinases","Aurora kinase (Aur) family"}

> <pathway_reactome>
{"Transport of small molecules","Cell Cycle",Disease,"Gene expression (Transcription)","Immune System",Metabolism,"O2/CO2 exchange in erythrocytes",Mitotic,"Infectious disease","RNA Polymerase II Tran
scription","Cytokine Signaling in Immune system","Reversible hydration of carbon dioxide","Erythrocytes take up carbon dioxide and release oxygen","M Phase","Leishmania infection","Generic Transcripti
on Pathway","Signaling by Interleukins","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Transcriptional Regulation by TP53","Interleukin-12 family signaling","Mitotic Anaph
ase","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity","Interleukin-12 signaling","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammator
y cytokines production","Regulation of TP53 Activity through Phosphorylation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Initiation of Nuclear Envelope (NE) 
Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{sulfadiazine,68-35-9,68359,Sulphadiazine,Sulfapyrimidine,Sulfadiazin,Adiazine,Sulfazine,Sulfadiazene,Adiazin,Debenal,Liquadiazine,Sulfapyrimidin,Pyrimal,2-Sulfanilamidopyrimidine,2Sulfanilamidopyrimi
dine,Cremodiazine,Spofadrizine,Theradiazine,Cremotres,Deltazina,Diazolone,T0930,1500546,Prestw-23,Sulfadiazine,SULFADIAZINE}

> <pdid>
PD001750

> <targets>
{Antibiotic,Bacterial,Parasite}

> <classes>
{antibacterial,Anti-infection}

> <pubchem_cids>
{5215}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  1  0            999 V2000
    4.0097   -3.2952    0.0000 O   0  0
    3.1255   -2.0835    0.0000 C   0  0
    1.6332   -2.2426    0.0000 C   0  0
    1.0255   -3.6140    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0
    0.0000    2.7760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
   -2.6401    0.8578    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  5  3  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10  5  1  0
 10 11  1  0
  9 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11952

> <plate>
PLATE 013

> <well>
E2

> <supplier_cmpd_name>
L(+)-Ascorbic acid

> <ctcr_id>
5098

> <supplier_cmpd_id>
T0928

> <smiles>
OCC(O)[C@H]1OC(=O)C(=C1O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SR-05000001815,SR05000001815,"L-Ascorbic Acid, Free Acid","LAscorbic Acid, Free Acid",Spectrum_000170,Spectrum000170,Spectrum-000170,"Spectrum 000170",SpecPlus_000867,SpecPlus000867,SpecPlus-000867,"
SpecPlus 000867",Spectrum2_001948,Spectrum2001948,Spectrum2-001948,"Spectrum2 001948",Spectrum3_000228,Spectrum3000228,Spectrum3-000228,"Spectrum3 000228",Spectrum4_001906,Spectrum4001906,Spectrum4-00
1906,"Spectrum4 001906",Spectrum5_000592,Spectrum5000592,Spectrum5-000592,"Spectrum5 000592",BSPBio_001875,BSPBio001875,BSPBio-001875,"BSPBio 001875",KBioGR_002498,KBioGR002498,KBioGR-002498,"KBioGR 0
02498",KBioSS_000650,KBioSS000650,KBioSS-000650,"KBioSS 000650",(r)-5-(1,(r)5(1,2-dihydroxy-ethyl)-3,2dihydroxyethyl)3,4-dihydroxy-5h-furan-2,4dihydroxy5hfuran2,T0928,1502230,"L(+)-Ascorbic acid","ASC
ORBIC ACID"}

> <pdid>
PD000091

> <targets>
{}

> <classes>
{antiviral,antiscorbutic}

> <pubchem_cids>
{54676536}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 27  0  0  0  0            999 V2000
   24.5998    0.7511    0.0000 Na  0  3
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2030   -1.5008    0.0000 C   0  0
    6.5032   -2.2490    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 O   0  0
    9.0999    0.7500    0.0000 C   0  0
    9.0999    2.2500    0.0000 O   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   12.9999   -1.5000    0.0000 O   0  0
   14.2999    0.7500    0.0000 O   0  0
   15.5999    0.0000    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   16.9030    2.2508    0.0000 C   0  0
   18.2031    2.9990    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 C   0  0
   22.0991    0.7496    0.0000 C   0  0
   11.6968    2.2508    0.0000 S   0  0
   10.3967    2.9990    0.0000 O   0  0
   11.6944    3.7508    0.0000 O   0  0
   12.9946    3.0031    0.0000 O   0  5
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 14 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
M  CHG  2   1   1  29  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11953

> <plate>
PLATE 013

> <well>
E3

> <supplier_cmpd_name>
Docusate sodium

> <ctcr_id>
11086

> <supplier_cmpd_id>
T0929

> <smiles>
[Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Docusate sodium",577-11-7,577117,"Dioctyl sodium sulfosuccinate","Dioctyl sulfosuccinate sodium salt","Aerosol OT",Constonate,"Dioctyl sulfosuccinate sodium","Docusate (Sodium)",Diox,"Manoxol OT","B
is(2-ethylhexyl) sulfosuccinate sodium salt","Bis(2ethylhexyl) sulfosuccinate sodium salt",T0929}

> <pdid>

> <targets>
{"Opioid Receptor"}

> <classes>
{Endocrinology/Hormones,"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{23673837}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  1
  9 11  1  0
 11  3  1  0
 11 12  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11954

> <plate>
PLATE 013

> <well>
E4

> <supplier_cmpd_name>
Delta-Gluconolactone

> <ctcr_id>
4662

> <supplier_cmpd_id>
T0933

> <smiles>
OC[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@H]1O

> <pd_targets>
{LMNA,GBA}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme}

> <pathway_chembl>
{Enzymes,"3.2.1.- Glycosidases"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Mitotic,"Metabolism of lipids","M Phase","Sphingolipid metabolism","Mitotic Metaphase and Anaphase","Glycosphingolipid metabolism","Mitotic Anaphase","Nuclear Envelope (NE) Re
assembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{LCT}

> <broad_moa>
{}

> <synonyms>
{"L-gluconic acid delta-lactone","Lgluconic acid deltalactone",DivK1c_000329,DivK1c000329,DivK1c-000329,"DivK1c 000329","L-Gluconic acid 1,5-lactone","LGluconic acid 1,5lactone","L-GLUCONO-1,5-LACTONE
","LGLUCONO1,5LACTONE",52153-09-0,52153090,"(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one","(3S,4R,5R,6S)3,4,5trihydroxy6(hydroxymethyl)oxan2one",(3~(S),4~(R),5~(R),6~(S))-6-(hydroxymethy
l)-3,6~(S))6(hydroxymethyl)3,4,5-tris(oxidanyl)oxa,5tris(oxidanyl)oxa,T0933,1503092,Delta-Gluconolactone,GLUCONOLACTONE}

> <pdid>
PD001081

> <targets>
{}

> <classes>
{"chelating agent"}

> <pubchem_cids>
{1549082}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11955

> <plate>
PLATE 013

> <well>
E5

> <supplier_cmpd_name>
Nicotinamide

> <ctcr_id>
809

> <supplier_cmpd_id>
T0934

> <smiles>
NC(=O)c1cccnc1

> <pd_targets>
{SIRT2,SIRT1,SIRT3,HST2,PARP1,FAAH,SIRT5,SIR2RP1,SARM1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Transferase,Hydrolase,"Histone deacetylase","HDAC class III"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Poly ADP-ribose polymerases","Endocannabinoid turnover","3.5.1.- Histone deacetylases (HDACs)","<i>N</i>-Acylethanolamine turnover"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,Metabolism,"Organelle biogenesis and maintenance","Immune System",Mitotic,"RNA Polymerase II Transcription","Infectious disease","Metabolism of 
lipids","Mitochondrial biogenesis","Innate Immune System","M Phase","Generic Transcription Pathway","Influenza Infection","Fatty acid metabolism","Transcriptional activation of mitochondrial biogenesi
s","Toll-like Receptor Cascades","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Influenza Viral RNA Transcription and Replication","Arachidonic acid metabolism","Toll Like Receptor 4 
(TLR4) Cascade","Mitotic Anaphase","Regulation of FOXO transcriptional activity by acetylation","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","vRNA Synthesis","MyD88
-independent TLR4 cascade","Nuclear Envelope (NE) Reassembly","TRIF(TICAM1)-mediated TLR4 signaling","Initiation of Nuclear Envelope (NE) Reformation","Activation of IRF3/IRF7 mediated by TBK1/IKK eps
ilon"}

> <broad_targets>
{BST1,LDHA,PARP1,SIRT5}

> <broad_moa>
{"protein synthesis stimulant"}

> <synonyms>
{"3 Pyridinecarboxamide",SR-01000721872,SR01000721872,"Nicotinsaureamid Jenapharm","EINECS 202-713-4","EINECS 2027134","Jenapharm, Nicotinsaureamid",nicotinamide,niacinamide,98-92-0,98920,3-Pyridineca
rboxamide,3Pyridinecarboxamide,"Nicotinic acid amide",pyridine-3-carboxamide,pyridine3carboxamide,"vitamin PP",Papulex,Ami,T0934,SAM001246860,1505397,Prestw-1449,Nicotinamide,CPD000058212,NIACINAMIDE}

> <pdid>
PD000511

> <targets>
{Endogenous Metabolite,Sirtuin}

> <classes>
{Vitamin B3,enzyme cofactor,anti-pellagra,Cell Cycle/DNA Damage,Epigenetics,Metabolic Enzyme/Protease}

> <pubchem_cids>
{936}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 12  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   11.6999    2.2500    0.0000 O   0  0
   12.9992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11956

> <plate>
PLATE 013

> <well>
E6

> <supplier_cmpd_name>
Azelaic acid

> <ctcr_id>
2641

> <supplier_cmpd_id>
T0926

> <smiles>
OC(=O)CCCCCCCC(O)=O

> <pd_targets>
{SLC22A6,FFP,NFKB1,TSHR,LMNA,PMP22,TRXB,AKR1D1,SRD5A2,TYR,POLA,LEF}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters",Enzyme,"Other cytosolic protein","Membrane receptor","Other nucl
ear protein","Unclassified protein",Transferase,"Family A G protein-coupled receptor",Oxidoreductase,"Peptide receptor (family A GPCR)","Glycohormone receptor",Protease,"Metallo protease","Metallo pro
tease MAE clan","Metallo protease M34 family"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters","Organic anion transporters (OATs)",Receptors,Enzymes,"G protein-coupled receptors","1.-.-.- 
Oxidoreductases","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Transport of small molecules","SLC-mediated transmembrane transport","Transport of bile salts and organic acids","metal ions and amine compounds","Organic cation/anion/zwitterion transport","Organic
 anion transport","Immune System",Disease,"Cell Cycle","Developmental Biology",Metabolism,"Cytokine Signaling in Immune system","Infectious disease",Mitotic,"Nervous system development","Metabolism of
 lipids","Metabolism of amino acids and derivatives","Signaling by Interleukins","Leishmania infection","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Metabolism of steroi
ds","Melanin biosynthesis","Interleukin-1 family signaling","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism","Metabolism of steroid hormo
nes","Interleukin-1 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Synthesis of bile acids and bile salts","Androgen biosynthesis","MAP3K8 (TPL2)-d
ependent MAPK1/3 activation","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Initiation
 of Nuclear Envelope (NE) Reformation","Uptake and actions of bacterial toxins","Uptake and function of anthrax toxins"}

> <broad_targets>
{HBB}

> <broad_moa>
{}

> <synonyms>
{"azelaic acid","NONANEDIOIC ACID",123-99-9,123999,Finacea,"Anchoic acid",Azelex,"1,7-Heptanedicarboxylic acid","1,7Heptanedicarboxylic acid","Lepargylic acid",Skinoren,"1,9-Nonanedioic acid","1,9Nona
nedioic acid","Heptanedicarboxylic acid","n-Nonanedioic acid","nNonanedioic acid","Emerox 1110",Eme,T3732,T0926,T4734,T4795,1500648,"Sebacic acid","Azelaic acid","Suberic acid","Pimelic acid","AZELAIC
 ACID"}

> <pdid>
PD000120

> <targets>
{}

> <classes>
{"antiproliferative agent",antiacne}

> <pubchem_cids>
{19347555,2266}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  7  0  0  0  0            999 V2000
    2.6000   -1.5000    0.0000 N   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.1992    0.0004    0.0000 O   0  0
    1.2761   -0.7669    0.0000 C   0  0
    1.2773   -2.2669    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  2  7  1  0
  7  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11957

> <plate>
PLATE 013

> <well>
E7

> <supplier_cmpd_name>
Trometamol

> <ctcr_id>
3418

> <supplier_cmpd_id>
T0961

> <smiles>
NC(CO)(CO)CO

> <pd_targets>
{LMNA,KMT2A,MEN1,APP}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator","Membrane receptor",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle","Immune System",Mitotic,"Innate Immune System","M Phase","Toll-like Receptor Cascades","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Anaphase","MyD88 ca
scade initiated on plasma membrane","Nuclear Envelope (NE) Reassembly","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{AMD1,CANT1,DCN,NEIL1,VEGFA}

> <broad_moa>
{}

> <synonyms>
{Trometamol,TROMETHAMINE,77-86-1,77861,Tris,Tris(Hydroxymethyl)aminomethane,Tham,"2-Amino-2-(hydroxymethyl)propane-1,3-diol","2Amino2(hydroxymethyl)propane1,3diol","2-Amino-2-(hydroxymethyl)-1,3-propa
nediol","2Amino2(hydroxymethyl)1,3propanediol",Trisamine,Trizma,"Tris buffer","Tris base",Tromethane,Trisaminol,1,3-Propanediol,3Propanediol,T0961,S4176}

> <pdid>
PD002520

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{6503}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 O   0  0
   -2.5981    6.0000    0.0000 N   0  0
   -3.8972    5.2500    0.0000 C   0  0
   -5.1962    6.0000    0.0000 O   0  0
   -3.8971    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8963    0.7469    0.0000 C   0  0
   -3.8941   -0.7539    0.0000 C   0  0  1  0  0  0
   -2.5938   -1.5017    0.0000 O   0  0
   -5.1923   -1.5070    0.0000 C   0  0  1  0  0  0
   -6.4927   -0.7593    0.0000 O   0  0
   -5.1902   -3.0078    0.0000 C   0  0  1  0  0  0
   -3.8899   -3.7556    0.0000 O   0  0
   -6.4884   -3.7609    0.0000 C   0  0
   -6.4863   -5.2609    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13  6  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  1  0
 14 24  1  0
 24  4  2  0
 24 25  1  0
 25 26  2  0
 26  2  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11958

> <plate>
PLATE 013

> <well>
E8

> <supplier_cmpd_name>
Riboflavin

> <ctcr_id>
3699

> <supplier_cmpd_id>
T0937

> <smiles>
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C

> <pd_targets>
{BRCA1,ALDH1A1,KMT2A,MEN1,HSD17B10,CYP2C19,LEF,CYP2D6,KDM4E,CASP1,ALD,CYP1A2,CASP7,IMPA1,MAPK1,GROES,GROL,CYP3A4,HPGD,ALOX15,RECQL,TST,RIBC,HBB,MAPT,HTT,LMNA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Oxidoreductase,Reader,"Cytochrome P450",Protease,Eraser,Bromodomain,"Cytochrome P450 family 2","Metallo protease","Lysine demethylase","Cysteine protease","Cytochrome P4
50 family 1","Cytochrome P450 family 2C","Metallo protease MAE clan","Cytochrome P450 family 2D","Jumonji domain-containing","Cysteine protease CD clan","Cytochrome P450 family 1A","Cytochrome P450 2C
19","Metallo protease M34 family","Cytochrome P450 2D6","Cysteine protease C14 family","Cytochrome P450 1A1","Unclassified protein","Secreted protein","Other cytosolic protein","Other nuclear protein"
,Hydrolase,Kinase,Transferase,"Protein Kinase","Cytochrome P450 family 3","CMGC protein kinase group","Cytochrome P450 family 3A","CMGC protein kinase MAPK family","Cytochrome P450 3A4","CMGC protein 
kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Chromatin modifying enzymes","Peptidases and proteinases","CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","CD: Cysteine (C) Peptidases","CYP1 famil
y","C14: Caspase","Inositol phosphate turnover","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Inositol monophosphatase","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Prostaglandin syn
thases",Lipoxygenases,"Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"DNA Repair",Metabolism,Disease,"Gene expression (Transcription)","Programmed Cell Death","DNA Double-Strand Break Repair","Biological oxidations","Metabolism of amino acids and derivatives","Infecti
ous disease","RNA Polymerase II Transcription",Apoptosis,"Homology Directed Repair","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","Uptake and actions of bacterial t
oxins","Generic Transcription Pathway","Intrinsic Pathway for Apoptosis","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation","Cytochrome P450 - arranged b
y substrate type","Uptake and function of anthrax toxins","Transcriptional Regulation by TP53","Apoptotic factor-mediated response","HDR through Homologous Recombination (HRR)",Xenobiotics,"TP53 Regul
ates Transcription of Cell Death Genes","Cytochrome c-mediated apoptotic response","Homologous DNA Pairing and Strand Exchange","CYP2E1 reactions","TP53 Regulates Transcription of Caspase Activators a
nd Caspases","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Activation of caspases through apoptosome-mediated cleavage","Presynaptic phase of homologous DNA pairing and strand ex
change","Immune System","Neuronal System","Cell Cycle","Inositol phosphate metabolism","Innate Immune System","Metabolism of lipids","Transmission across Chemical Synapses",Mitotic,"Synthesis of IP2",
IP,"and Ins in the cytosol","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Sulfur amino acid metabolism","Neutrophil degranulation","Neurotransmitter recept
ors and postsynaptic signal transmission","M Phase","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Degradation of cysteine and homocystein
e","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by MECP2","Mitotic Metaphase and Anaphase","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins"
,"Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3 SPMs","Sulfide oxidation to sulfate","Post NMDA receptor activation events","Regulation of MECP2 expression and activity","Mitotic Anaphas
e","MAP kinase activation","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","M
APK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{BLVRB,RFK}

> <broad_moa>
{"vitamin B"}

> <synonyms>
{SR-05000001670,SR05000001670,CAS-83-88-5,CAS83885,"Riboflavin, USP grade",Spectrum2_000660,Spectrum2000660,Spectrum2-000660,"Spectrum2 000660",SCHEMBL7707,BSPBio_002264,BSPBio002264,BSPBio-002264,"BS
PBio 002264",SPECTRUM1505347,SPBio_000699,SPBio000699,SPBio-000699,"SPBio 000699",CHEMBL1397833,CHEBI:95299,HMS1922F06,HMS2093D07,Pharmakon1600-01505347,Pharmakon160001505347,TNP00212,ZINC1532585,ANW-
43762,ANW43762,CCG-40022,CCG40022,NSC758973,T0937,1505347,Riboflavin,RIBOFLAVIN}

> <pdid>
PD000920

> <targets>
{Endogenous Metabolite}

> <classes>
{Vitamin B2,Vitamin cofactor,LD50(rat) 560 mg/kg ip,Metabolic Enzyme/Protease}

> <pubchem_cids>
{6759}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3032    3.7490    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1882    2.6401    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0  2  0  0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   -4.9999   -0.6697    0.0000 C   0  0  2  0  0  0
   -5.0761   -2.1678    0.0000 C   0  0
   -6.2788    0.1140    0.0000 C   0  0
   -6.2396    1.6135    0.0000 C   0  0
   -7.5185    2.3973    0.0000 O   0  0
   -4.9213    2.3293    0.0000 C   0  0
   -3.6424    1.5455    0.0000 C   0  0
   -2.3492    2.3081    0.0000 O   0  0
   -2.3624    3.8081    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
 11  9  1  6
 11 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  2  0
 14  3  1  0
 14 15  1  0
 11 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  3
 22 11  1  0
 22 23  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11959

> <plate>
PLATE 013

> <well>
E9

> <supplier_cmpd_name>
Griseofulvin

> <ctcr_id>
5526

> <supplier_cmpd_id>
T1382

> <smiles>
COc1cc(OC)c2C(=O)[C@]3(Oc2c1Cl)[C@H](C)CC(=O)C=C3OC

> <pd_targets>
{HSD17B10,KDM4E,ALDH1A1,TSHR,CYP3A4,HPGD,SLC22A1,CYP51A1,TUB2,KRT12,HTT,HIF1A}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor",Transporter,"Unclassified protein","Transcription factor",Oxidoreductase,Eraser,"Family A G protein-coupled receptor",Protease,"Cytochrome P450","Ele
ctrochemical transporter","Lysine demethylase","Peptide receptor (family A GPCR)","Cysteine protease","Cytochrome P450 family 3","SLC superfamily of solute carriers","Cytochrome P450 family 51","Small
 molecule receptor (family A GPCR)","Jumonji domain-containing","Glycohormone receptor","Cysteine protease CA clan","Cytochrome P450 family 3A","SLC22 family of organic cation and anion transporters",
"Cytochrome P450 family 51A","Monoamine-derivative receptor (family A GPCR)","Cysteine protease C1A family","Cytochrome P450 3A4","Cytochrome P450 51A1","Melatonin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","G protein-coupled receptors","Cytochrome P450","Eicosanoid turnover","SLC superfamily of solute carriers","Catalytic receptors","1.14.11.
- Histone demethylases","Glycoprotein hormone receptors","CYP3 family","Prostaglandin synthases","SLC22 family of organic cation and anion transporters",CYP39,"CYP46 and CYP51 families","Receptor guan
ylyl cyclase (RGC) family","Organic cation transporters (OCT)","Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase"}

> <pathway_reactome>
{Metabolism,Disease,"Transport of small molecules","Developmental Biology","Gene expression (Transcription)","Cellular responses to external stimuli","Metabolism of amino acids and derivatives","Biolo
gical oxidations","Infectious disease","Metabolism of lipids","SLC-mediated transmembrane transport",Keratinization,"RNA Polymerase II Transcription","Cellular responses to stress","Branched-chain ami
no acid catabolism","Phase I - Functionalization of compounds","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Transport of bile salts and organic acids","metal ion
s and amine compounds","Formation of the cornified envelope","Generic Transcription Pathway","Cellular response to hypoxia","Ethanol oxidation","Leishmania parasite growth and survival","Biosynthesis 
of DHA-derived SPMs","Organic cation/anion/zwitterion transport","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by MECP2","Oxygen-dependent proline hydroxylation of Hypoxia
-inducible Factor Alpha","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","Biosynthesis of D-series resolvins","Organic cation transport","Endogenous ste
rols","Regulation of MECP2 expression and activity","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{KRT12}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{griseofulvin,126-07-8,126078,(+)-Griseofulvin,(+)Griseofulvin,Amudane,Fulvicin,Grisactin,Grisefuline,Griseofulvina,Griseofulvinum,Grizeofulvin,Grifulvin,Grisofulvin,Spirofulvin,Fulcin,Grysio,Lamoryl,
Likuden,Griseofulvine,Poncyl,"Curling factor",Grisovin,Griseofulv,T1382,SAM002589940,200046,Prestw-226,Griseofulvin,CPD000718755,GRISEOFULVIN}

> <pdid>
PD002235

> <targets>
{}

> <classes>
{"inhibits mitosis in metaphase",antifungal}

> <pubchem_cids>
{441140}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    7.6894   -1.1304    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  3
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 Cl  0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22  8  1  0
 22 16  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11960

> <plate>
PLATE 013

> <well>
E10

> <supplier_cmpd_name>
Chlorpromazine hydrochloride

> <ctcr_id>
4361

> <supplier_cmpd_id>
T1384

> <smiles>
[Cl-].C[NH+](C)CCCN1c2ccccc2Sc3ccc(Cl)cc13

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MLS000595399,SMR000149922,Opera_ID_1263,OperaID1263,Opera-ID-1263,"Opera ID 1263",HMS2234H07,HMS3370H01,(3-(2-Chloro-phenothiazin-10-yl)-propyl)-dimethyl-ammonium,(3(2Chlorophenothiazin10yl)propyl)di
methylammonium,Plegomazin,Propaphenin,Hibernal,"Chlorpromazinium chloride",2-Chloro-10-(3-(dimethylamino)propyl)pheno,2Chloro10(3(dimethylamino)propyl)pheno,SAM002564196,Prestw-64,CPD000058254,"Chlorp
romazine hydrochloride"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{522335,25010312,657361,6240}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 O   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1886    6.0105    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.5133   -2.9102    0.0000 C   0  0
    1.9910   -3.1685    0.0000 C   0  0
    2.5062   -4.5772    0.0000 C   0  0
    1.5439   -5.7278    0.0000 C   0  0
    0.0662   -5.4697    0.0000 C   0  0
   -0.4490   -4.0609    0.0000 C   0  0
   -1.9267   -3.8029    0.0000 Cl  0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8926   -3.7566    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  7 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16  6  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 15 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 14 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11961

> <plate>
PLATE 013

> <well>
E11

> <supplier_cmpd_name>
Amlodipine

> <ctcr_id>
4538

> <supplier_cmpd_id>
T1385

> <smiles>
CCOC(=O)C1=C(COCCN)NC(=C(C1c2ccccc2Cl)C(=O)OC)C

> <pd_targets>
{CACNA1C,CACNA1D,CACNA1F,CACNA1S,NOS3,NOS2,FFP,NR1I2,RORC,CYP3A4,KCNK2,ABCB11,ADRA1B,ADRA1D,ADRA1A,ADRA2A,ADRA2C,HTR6,SLC6A3,ABCB1,CACNA1B,CACNB1,CACNA2D3,CA1,SMPD1,CACNA1I}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Voltage-gated ion channel","Voltage-gated calcium channel","Transcription factor",Transporter,"Membrane receptor",Transferase,"Nuclear receptor","Cytochrome P450","Primary activ
e transporter","Family A G protein-coupled receptor","Electrochemical transporter",Lyase,Hydrolase,"Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Potassium channels","ATP-binding c
assette","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 f
amily 3A","Two-pore domain potassium channel","ABCB subfamily","Monoamine receptor","SLC06 neurotransmitter transporter family","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone
 receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Adrenergic receptor","Serotonin receptor"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","L-Arginine turnover","Voltage-gated calcium channels","Nitric oxide synthases",Receptors,Transporters,"Nuclear hormone receptors","Cytochrome P450
","ATP-binding cassette transporter family","G protein-coupled receptors","SLC superfamily of solute carriers","Carbonic anhydrases","Ceramide turnover","1I. Vitamin D receptor-like receptors","1F. Re
tinoic acid-related orphans","CYP3 family","Potassium channels","ABCB subfamily",Adrenoceptors,"5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","Sphingomyelin phosphodiestera
se","Two P domain potassium channels","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Disease,"Nervous system development","Signaling by Receptor Tyrosine Kinases","Infectious disease","Axon guidance","Signaling by VEGF","Infection with My
cobacterium tuberculosis","NCAM signaling for neurite out-growth","VEGFA-VEGFR2 Pathway","Response of Mtb to phagocytosis","NCAM1 interactions","VEGFR2 mediated vascular permeability","Suppression of 
phagosomal maturation","Inhibition of nitric oxide production","Metabolism of proteins","Gene expression (Transcription)",Metabolism,"Neuronal System","Immune System","Post-translational protein modif
ication","RNA Polymerase II Transcription","Metabolism of lipids","Potassium Channels","Signaling by GPCR","Disorders of transmembrane transporters","Abacavir transport and metabolism","Transmission a
cross Chemical Synapses","Cytokine Signaling in Immune system",SUMOylation,"Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Tandem pore domain potassium cha
nnels","Metabolism of steroids","GPCR ligand binding","Leishmania infection","SLC transporter disorders","Abacavir transmembrane transport","Presynaptic depolarization and calcium channel opening","Si
gnaling by Interleukins","Sphingolipid metabolism","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","TWIK related potassium channel 
(TREK)","Bile acid and bile salt metabolism","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Interle
ukin-12 family signaling","Glycosphingolipid metabolism","SUMOylation of intracellular receptors","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Synthesis of bile aci
ds and bile salts","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Interleukin-12 signaling","Biosynthesis of maresin-like SPMs","Synthesis of bi
le acids and bile salts via 7alpha-hydroxycholesterol",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","Gene and protein expression by JAK-STAT signaling after Interleukin-12 s
timulation"}

> <broad_targets>
{}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{RESTW121,amlodipine,88150-42-9,88150429,Norvasc,"AMLODIPINE BASE",Amlodipino,Amlodipinum,Caduet,Istin,"Amlodipine Free Base","Amlodipine besilate",Amvaz,Amlodis,CHEBI:2668,"Norvasc (TN)",Amlocard,Cor
oval,Lipinox,UK-4834011,UK4834011,Amlor,"Amlodipinum (Latin)",Amlodipin,T4284,T1385,S1905,Prestw-1219,"(S)-Amlodipine Besylate (103129-82-4(free base))",Amlodipine,Amlodipine,"Amlodipine (Norvasc)"}

> <pdid>
PD008989

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2162}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    5.0987    2.2533    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8934    5.2570    0.0000 C   0  0
   -5.1924    6.0070    0.0000 C   0  0
   -6.4915    5.2571    0.0000 C   0  0
   -6.4915    3.7571    0.0000 C   0  0
   -5.1925    3.0070    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  6 15  1  0
 15 16  1  0
 15 17  2  0
 17  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11962

> <plate>
PLATE 013

> <well>
F2

> <supplier_cmpd_name>
Phenazopyridine hydrochloride

> <ctcr_id>
2876

> <supplier_cmpd_id>
T1386

> <smiles>
Cl.Nc1ccc(\N=N\c2ccccc2)c(N)n1

> <pd_targets>
{REP,MAPT,FTL,KMT2A,MEN1,SMN1,HBB,ALOX15,MAPK1,CYP3A4,TSHR,HSD17B10,SCN1A,SCN10A,SCN11A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,AMPC,RORC,KDM4E}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Unclassified protein","Epigenetic regulator","Secreted protein","Membrane receptor","Ion channel","Transcription factor",Transferase,Reader,Oxidoreductase,Kinase,"Cy
tochrome P450",Protease,"Family A G protein-coupled receptor","Voltage-gated ion channel",Hydrolase,"Nuclear receptor",Eraser,Bromodomain,"Methyl-lysine/arginine binding protein","Protein Kinase","Cyt
ochrome P450 family 3","Cysteine protease","Peptide receptor (family A GPCR)","Voltage-gated sodium channel","Nuclear hormone receptor subfamily 1","Lysine demethylase","Tudor domain","CMGC protein ki
nase group","Cytochrome P450 family 3A","Cysteine protease CA clan","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group F","Jumonji domain-containing","CMGC protein kinase MAPK family"
,"Cytochrome P450 3A4","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase ERK1"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"Ion channels","Anti-infective targets","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion chann
els","Nuclear hormone receptors","Chromatin modifying enzymes","Viral protein targets",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Glycoprotein hormone receptors","Vol
tage-gated sodium channels","1F. Retinoic acid-related orphans","1.14.11.- Histone demethylases","Coronavirus (CoV) proteins","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Vesicle-mediated transport","Metabolism of RNA","Immune System",Metabolism,"Developmental Biology","Gene expression (Transcription)","Infectious disease","Transmission acro
ss Chemical Synapses","Membrane Trafficking","Metabolism of non-coding RNA","Innate Immune System","Metabolism of lipids","Metabolism of amino acids and derivatives","Nervous system development","RNA 
Polymerase II Transcription","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","snRNP Assembly","Neutrophil degranulation","
Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Leishmania infection","Branched-chain amino acid catabolism","Axon guidance","Generic Transcription Pathway","
SARS-CoV-2 Infection","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesi
s of DHA-derived SPMs","Leishmania parasite growth and survival","L1CAM interactions","Transcriptional regulation by RUNX3","SARS-CoV-2 Genome Replication and Transcription","Post NMDA receptor activa
tion events","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Interaction bet
ween L1 and Ankyrins","RUNX3 Regulates Immune Response and Cell Migration","Replication of the SARS-CoV-2 genome","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins a
nd resolvins","MAP kinase activation","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK tar
gets","ERKs are inactivated"}

> <broad_targets>
{SCN1A}

> <broad_moa>
{"local anesthetic"}

> <synonyms>
{"Phenazopyridine hydrochloride",136-40-3,136403,"Phenazopyridine HCl",Pyridium,Urodine,"3-Phenylazo-2,6-diaminopyridine hydrochloride","3Phenylazo2,6diaminopyridine hydrochloride",Pyripyridium,Bister
il,Diridone,Mallophene,Phenazodine,Pyrazodine,Suladyne,Azodyne,Azomine,Sedur,T1386,1500473,Prestw-752,"PHENAZOPYRIDINE HYDROCHLORIDE"}

> <pdid>
PD009491

> <targets>
{}

> <classes>
{analgesic}

> <pubchem_cids>
{8691}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5985   -0.0004    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2989   -2.2506    0.0000 C   0  0
    1.2977   -3.7514    0.0000 N   0  0
    0.0852   -4.6128    0.0000 C   0  0
    0.5506   -6.0388    0.0000 N   0  0
    2.0506   -6.0369    0.0000 C   0  0
    2.5123   -4.6097    0.0000 N   0  0
    3.8988   -2.2502    0.0000 C   0  0
    5.1987   -1.5000    0.0000 N   0  0
    6.5513   -2.1184    0.0000 C   0  0
    7.5528   -1.0018    0.0000 N   0  0
    6.8004    0.2958    0.0000 C   0  0
    5.3338   -0.0188    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  4  1  0
  2  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
  2 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11963

> <plate>
PLATE 013

> <well>
F3

> <supplier_cmpd_name>
Fluconazole

> <ctcr_id>
5811

> <supplier_cmpd_id>
T1388

> <smiles>
OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F

> <pd_targets>
{CYP51,CYP3A4,CYP2C9,CYP2C19,CYP51A1,HSP90AA1,CYP11B1,HMOX1,CYP121,CYP51B,CYP11B2,CYP19A1,LMNA,CYP125,ERG11}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Other cytosolic protein","Other nuclear protein",Oxidoreductase,"Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 family 51","Cyt
ochrome P450 family 11","Cytochrome P450 family 19","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 51A","Cytochrome P450 family 11B","Cytochrome P450 family 19A","Cyto
chrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 2C19","Cytochrome P450 51A1","Cytochrome P450 11B1","Cytochrome P450 11B2","Cytochrome P450 19A1"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Cytochrome P450","Heat shock proteins","Haem oxygenase","CYP3 family","CYP2 family: drug metabolising subset",CYP39,"CYP46 and CYP51 families",CYP11,CYP17,CYP19,"CYP2
0 and CYP21 families"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Immune System","Metabolism of lipids","Biological oxidations",Mitotic,"Cytokine Signaling in Immune system","Biosynthesis of specialized proresolving mediators (SPMs)","Phase
 I - Functionalization of compounds","Mitotic G2-G2/M phases","Signaling by Interleukins","M Phase","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","G2/M Transition",
"Interleukin-4 and Interleukin-13 signaling","Mitotic Metaphase and Anaphase","Biosynthesis of maresins",Xenobiotics,"Endogenous sterols","Centrosome maturation","Mitotic Anaphase","Biosynthesis of ma
resin-like SPMs","CYP2E1 reactions","Loss of proteins required for interphase microtubule organization from the centrosome","Nuclear Envelope (NE) Reassembly","Loss of Nlp from mitotic centrosomes","I
nitiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CYP51A1}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{86386-73-4,86386734,Diflucan,Triflucan,Biozolene,Elazor,Biocanol,Fluconazol,Fungata,Fluconazolum,Flucostat,"2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL","2(2,4DIFLUOROPHENYL)1,3DI
(1H1,2,4TRIAZOL1YL)PROPAN2OL","UK 49858",Flusol,Zoltec,2-(2,2(2,4-Difluorophenyl)-1,4Difluorophenyl)1,3-bis(1H-1,3bis(1H1,2,4-,4,T1388,SAM002589905,1503975,Prestw-1417,Fluconazole,CPD000471882,FLUCONA
ZOLE}

> <pdid>
PD000782

> <targets>
{}

> <classes>
{antifungal}

> <pubchem_cids>
{3365}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    7.6894   -1.5062    0.0000 Cl  0  0
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11964

> <plate>
PLATE 013

> <well>
F4

> <supplier_cmpd_name>
Dyclonine hydrochloride

> <ctcr_id>
5

> <supplier_cmpd_id>
T1389

> <smiles>
Cl.CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2

> <pd_targets>
{LMNA,CYP2D6,THRB,ALDH1A1,LEF,CYP2C9,CYP1A2,ACHE,RORC,IMPA1,TGR,FTL,CYP3A4,MAPT,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Transcription factor","Unclassified protein","Other cytosolic protein","Ion channel","Cytochrome P450","Nuclear receptor",Oxidoreductase,Protease,Hydrolase,"Voltage-ga
ted ion channel","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Metallo protease","Cytochrome P450 family 1","Cytochrome P450 family 3","Voltage-gated sodium channel","Cytochrome P
450 family 2D","Nuclear hormone receptor subfamily 1 group A","Metallo protease MAE clan","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group F","Cytoch
rome P450 family 3A","Cytochrome P450 2D6","Nuclear hormone receptor subfamily 1 group A member 2","Metallo protease M34 family","Cytochrome P450 2C9","Cytochrome P450 1A1","Nuclear hormone receptor s
ubfamily 1 group F member 3","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Cytochrome P450","Nuclear hormone receptors","Acetylcholine turnover","Inositol phosphate turnover","Voltage-gated ion channels","CYP2 family: drug metabolising subs
et","1A. Thyroid hormone receptors","CYP1 family","1F. Retinoic acid-related orphans","Inositol monophosphatase","CYP3 family","Voltage-gated sodium channels"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Metabolism of proteins",Disease,"Gene expression (Transcription)","Vesicle-mediated transport","Neuronal System","Developmental Biology",Mitotic,"Biological oxidations","Post
-translational protein modification","Infectious disease","Metabolism of lipids","RNA Polymerase II Transcription","Inositol phosphate metabolism","Membrane Trafficking","Transmission across Chemical 
Synapses","Nervous system development","M Phase","Phase I - Functionalization of compounds",SUMOylation,"Uptake and actions of bacterial toxins","Phospholipid metabolism","Generic Transcription Pathwa
y","Synthesis of IP2",IP,"and Ins in the cytosol","trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal 
transmission","Axon guidance","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","SUMO E3 ligases SUMOylate target proteins","Ethanol oxidation","Uptake and function of an
thrax toxins","Glycerophospholipid biosynthesis","Transcriptional regulation by RUNX3","Golgi Associated Vesicle Biogenesis","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsy
naptic events","L1CAM interactions","Mitotic Anaphase",Xenobiotics,"SUMOylation of intracellular receptors","Synthesis of PC","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of mare
sins","Post NMDA receptor activation events","Interaction between L1 and Ankyrins","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1
A2","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SCN10A,SCN5A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{AKOS015915394,"1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one hydrochloride (1:1)","1(4butoxyphenyl)3(piperidin1yl)propan1one hydrochloride (1:1)","1-(3-(4-butoxyphenyl)-3-oxopropyl)piperidinium c
hloride","1(3(4butoxyphenyl)3oxopropyl)piperidinium chloride","4-n-Butoxy-beta-(1-piperidyl)propiophenone hydrochloride","4nButoxybeta(1piperidyl)propiophenone hydrochloride",1-(4-butoxyphenyl)-3-(pip
,1(4butoxyphenyl)3(pip,T1389,1500268,Prestw-264,"Dyclonine hydrochloride","DYCLONINE HYDROCHLORIDE"}

> <pdid>
PD009873

> <targets>
{}

> <classes>
{"anesthetic (topical)"}

> <pubchem_cids>
{657369,44657536,68304}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 13  0  0  0  0            999 V2000
    2.6000   -1.5000    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3011   -0.7502    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 N   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11965

> <plate>
PLATE 013

> <well>
F5

> <supplier_cmpd_name>
Panthenol

> <ctcr_id>
3493

> <supplier_cmpd_id>
T1390

> <smiles>
CC(C)(CO)C(O)C(=O)NCCCO

> <pd_targets>
{AMPC}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{DLPanthenol,panthenol,16485-10-2,16485102,DL-Pantothenol,DLPantothenol,"DL-Pantothenyl alcohol","DLPantothenyl alcohol","2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide","2,4DihydroxyN(3hydr
oxypropyl)3,3dimethylbutanamide",Panthenolum,Pantenol,Pantenolo,"(+-)-Pantothenyl alcohol","(+)Pantothenyl alcohol",Butanamide,2,4-dihydroxy-N-(3-hydroxypropyl)-3,4dihydroxyN(3hydroxypropyl)3,3-dim,3d
im,1505656,PANTHENOL}

> <pdid>
PD000345

> <targets>
{}

> <classes>
{"vitamin B5 precursor",radioprotectant}

> <pubchem_cids>
{4678}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11966

> <plate>
PLATE 013

> <well>
F6

> <supplier_cmpd_name>
4-Methylumbelliferone

> <ctcr_id>
3416

> <supplier_cmpd_id>
T1391

> <smiles>
CC1=CC(=O)Oc2cc(O)ccc12

> <pd_targets>
{AKR1B1,ALDH1A1,CA9,CA12,MAOB,HSD17B10,KDM4E,RMLC,GAA,CYP1A2,LMNA,HPGD,CASP1,CA1,CASP7,GLA,UGT1A1,HSD17B3}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other nuclear protein",Oxidoreductase,Lyase,Eraser,Isomerase,Hydrolase,"Cytochrome P450",Protease,Transferase,"Lysine demethylase","Cytochrome P450 family 1","Cysteine 
protease","Jumonji domain-containing","Cytochrome P450 family 1A","Cysteine protease CD clan","Cytochrome P450 1A1","Cysteine protease C14 family"}

> <pathway_chembl>
{Enzymes,"1.-.-.- Oxidoreductases","Carbonic anhydrases","Catecholamine turnover","Chromatin modifying enzymes","3.2.1.- Glycosidases","Cytochrome P450","Eicosanoid turnover","Peptidases and proteinas
es","UDP glucuronosyltransferases (UGT)","1.14.11.- Histone demethylases","CYP1 family","Prostaglandin synthases","CD: Cysteine (C) Peptidases","C14: Caspase"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli",Disease,"Cell Cycle","Gene expression (Transcription)","Immune System","Programmed Cell Death","Metabolism of lipids","Biological oxidations","Cell
ular responses to stress","Reversible hydration of carbon dioxide","Metabolism of amino acids and derivatives","Diseases of metabolism",Mitotic,"RNA Polymerase II Transcription","Cytokine Signaling in
 Immune system",Apoptosis,"Metabolism of steroids","Phase I - Functionalization of compounds","Cellular response to hypoxia","Branched-chain amino acid catabolism","Diseases of carbohydrate metabolism
","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","Signaling by Interleukins","Intrinsic Pathway for Apoptosis","Sphingolipid metabolism","Metabol
ic disorders of biological oxidation enzymes","Fatty acid metabolism","Metabolism of steroid hormones","Ethanol oxidation","Regulation of gene expression by Hypoxia-inducible Factor","Amine Oxidase re
actions","Glycogen storage diseases","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Transcriptional Regulation by TP53","Interleuki
n-12 family signaling","Apoptotic factor-mediated response","Glycosphingolipid metabolism","Defective UGT1A1 causes hyperbilirubinemia","Fatty acyl-CoA biosynthesis","Pregnenolone biosynthesis","Bioge
nic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Glycogen storage disease type II (GAA)",Xenobiotics,"Mitotic Anaphase","Biosynthesis of D-series resolvins","TP53 Regulates Transc
ription of Cell Death Genes","Interleukin-12 signaling","Cytochrome c-mediated apoptotic response","Synthesis of very long-chain fatty acyl-CoAs","Aromatic amines can be N-hydroxylated or N-dealkylate
d by CYP1A2","Nuclear Envelope (NE) Reassembly","TP53 Regulates Transcription of Caspase Activators and Caspases","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","
Activation of caspases through apoptosome-mediated cleavage","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{MAOA,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{RESTW90,4-methylumbelliferone,4methylumbelliferone,Hymecromone,90-33-5,90335,7-HYDROXY-4-METHYLCOUMARIN,7HYDROXY4METHYLCOUMARIN,7-Hydroxy-4-methyl-2H-chromen-2-one,7Hydroxy4methyl2Hchromen2one,Imecro
mone,beta-Methylumbelliferone,betaMethylumbelliferone,Cholestil,Mendiaxon,4-Methyl-7-hydroxycoumarin,4Methyl7hydroxycoumarin,Bilcolic,Bilicante,Cantabilin,Cantabiline,"Coumarin 4",C,T1391,Prestw-901,4
-Methylumbelliferone}

> <pdid>
PD000163

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5280567}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 29  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -7.7942   -1.5000    0.0000 O   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.1734    2.9306    0.0000 O   0  0
   -2.0587    3.9342    0.0000 C   0  0
   -2.2155    5.4260    0.0000 O   0  0
   -0.7597    3.1843    0.0000 C   0  0
    0.6655    3.6478    0.0000 C   0  0
    1.7802    2.6441    0.0000 C   0  0
    1.4684    1.1769    0.0000 C   0  0
    0.0418    0.7133    0.0000 C   0  0
   -1.0715    1.7170    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
 15  5  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 15  1  0
 24 19  1  0
  6 25  2  0
 25  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11967

> <plate>
PLATE 013

> <well>
F7

> <supplier_cmpd_name>
Fluorescein

> <ctcr_id>
1825

> <supplier_cmpd_id>
T1392

> <smiles>
Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1

> <pd_targets>
{IGKV2-30,BLM,SMAD3,KMT2A,MEN1,HPGD,RECQL,HTT,MAPT,PRMT1,SLC22A6,CYP2C19,SLC22A20}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Epigenetic regulator","Other cytosolic protein",Transporter,Reader,Protease,Writer,"Electrochemical transporter","Cytochrome P450",Bromodomain,"Cysteine protease","Prot
ein methyltransferase","SLC superfamily of solute carriers","Cytochrome P450 family 2","Cysteine protease CA clan","Protein arginine methyltransferase","SLC22 family of organic cation and anion transp
orters","Cytochrome P450 family 2C","Cysteine protease C1A family","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,Transporters,"Eicosanoid turnover","Chromatin modifying enzymes","L-Arginine turnover","SLC superfamily of solute carriers","Cytochrome P450","Prostaglandin synthases","2.1.1.43 Histone methy
ltransferases (HMTs)","2.1.1.- Protein arginine N-methyltransferases","SLC22 family of organic cation and anion transporters","CYP2 family: drug metabolising subset","Organic anion transporters (OATs)
","Orphan or poorly characterized SLC22 family members"}

> <pathway_reactome>
{Disease,"DNA Repair",Metabolism,"Gene expression (Transcription)","Neuronal System","Transport of small molecules","Infectious disease","DNA Double-Strand Break Repair","Diseases of signal transducti
on by growth factor receptors and second messengers","Metabolism of lipids","RNA Polymerase II Transcription","Transmission across Chemical Synapses","SLC-mediated transmembrane transport","Biological
 oxidations","Leishmania infection","Homology Directed Repair","Signaling by TGF-beta Receptor Complex in Cancer","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pat
hway","Neurotransmitter receptors and postsynaptic signal transmission","Transport of bile salts and organic acids","metal ions and amine compounds","Phase I - Functionalization of compounds","Leishma
nia parasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Loss of Function of SMAD2/3 in Cancer","Biosynthesis of DHA-derived SPMs","Transcriptio
nal regulation by RUNX1","Transcriptional Regulation by MECP2","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","Organic cation/anion/zwitterion transport","
Cytochrome P450 - arranged by substrate type","Anti-inflammatory response favouring Leishmania parasite infection","HDR through Homologous Recombination (HRR)","SMAD2/3 MH2 Domain Mutants in Cancer","
Biosynthesis of D-series resolvins","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Regulation of MECP2 expression and activity","Post NMDA receptor activation
 events","TP53 Regulates Transcription of Cell Cycle Genes","Organic anion transport",Xenobiotics,"FCGR3A-mediated IL10 synthesis","Homologous DNA Pairing and Strand Exchange","Activation of AMPK down
stream of NMDARs","TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest","CYP2E1 reactions","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{SLC22A6}

> <broad_moa>
{}

> <synonyms>
{fluorescein,2321-07-5,2321075,"2321 07 5","Solvent Yellow 94",Resorcinolphthalein,"Yellow fluorescein",Fluoresceine,"3',6'-Dihydroxy-3H-spiro(isobenzofuran-1,9'-xanthen)-3-one","3',6'Dihydroxy3Hspiro
(isobenzofuran1,9'xanthen)3one",3',"6' Dihyd",T1392,1505396,Fluorescein,FLUORESCEIN}

> <pdid>
PD000512

> <targets>
{}

> <classes>
{"corneal trama indicator"}

> <pubchem_cids>
{16850}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.1996    1.4928    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11968

> <plate>
PLATE 013

> <well>
F8

> <supplier_cmpd_name>
Ibuprofen

> <ctcr_id>
304

> <supplier_cmpd_id>
T1394

> <smiles>
CC(C)Cc1ccc(cc1)C(C)C(O)=O

> <pd_targets>
{PTGS1,CYP2C9,BLM,CXCR1,CXCR2,NFO,PTGS2,TSHR,PMP22,LMNA,AKR1C3,AKR1C2,BCL2,THBD,PLAT,FABP2,PPARG,CFTR,SLC5A8,NFKB1,ALB,ALOX5,DHRS9,PTGDS,FABP1,SLC22A20,SLC22A6,ASIC1,PPARA,GP1BA,S100A7,CXCL8}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Other nuclear protein","Ion channel","Auxiliary transport protein","Transcription factor",Oxidoreductase,"Cytochrome P450","Family A G protein-coupl
ed receptor",Hydrolase,"Other ion channel",Protease,"Fatty acid binding protein family","Nuclear receptor","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Miscellaneous ion channel","Se
rine protease","Nuclear hormone receptor subfamily 1","Chloride channel","Cytochrome P450 family 2C","Chemokine receptor","Glycohormone receptor","Bcl-2 family","Serine protease PA clan","Nuclear horm
one receptor subfamily 1 group C","Cystic fibrosis transmembrane conductance regulator","Cytochrome P450 2C9","CXC chemokine receptor","Serine protease S1A subfamily","Nuclear hormone receptor subfami
ly 1 group C member 3","Other cytosolic protein","Secreted protein",Transporter,Isomerase,"Electrochemical transporter","Ligand-gated ion channel","SLC superfamily of solute carriers","Acid-sensing io
n channel","SLC22 family of organic cation and anion transporters","Nuclear hormone receptor subfamily 1 group C member 1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Ion channels","Eicosanoid turnover","Cytochrome P450","G protein-coupled receptors","B-cell lymphoma 2 (Bcl-2) protein family","Peptidases and proteinases",
"Fatty acid-binding proteins","Nuclear hormone receptors","Other ion channels",Cyclooxygenase,"CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","Prostaglandin synthases","PA: Se
rine (S) Peptidases","1C. Peroxisome proliferator-activated receptors","Chloride channels","S1: Chymotrypsin",CFTR,Transporters,"SLC superfamily of solute carriers","Ligand-gated ion channels","SLC5 f
amily of sodium-dependent glucose transporters",Lipoxygenases,"SLC22 family of organic cation and anion transporters","Acid-sensing (proton-gated) ion channels (ASICs)","Sodium iodide symporter","sodi
um-dependent multivitamin transporter and sodium-coupled monocarboxylate transporters","Orphan or poorly characterized SLC22 family members","Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,"DNA Repair",Disease,"Developmental Biology","Cell Cycle","Immune System",Hemostasis,"Signal Transduction","Gene expression (Transcription)",Autophagy,"Metabolism of lipids","Biological ox
idations","DNA Double-Strand Break Repair","Infectious disease","Nervous system development",Mitotic,"Innate Immune System","Formation of Fibrin Clot (Clotting Cascade)","Signaling by Receptor Tyrosin
e Kinases","RNA Polymerase II Transcription",Macroautophagy,"Fatty acid metabolism","Phase I - Functionalization of compounds","Homology Directed Repair","Biosynthesis of specialized proresolving medi
ators (SPMs)","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Metabolism of steroids","Nucleotide-binding domain","leucine rich repeat containing rec
eptor (NLR) signaling pathways","Common Pathway of Fibrin Clot Formation","Signaling by PDGF","Triglyceride metabolism","Generic Transcription Pathway","Selective autophagy","Arachidonic acid metaboli
sm","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DPA-derived SPMs","Leishmania parasite growth and surv
ival","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism",Inflammasomes,"Triglyceride catabolism","Transcriptional Regulation by MECP2",Aggrephagy,"Synthesis of Prostaglandins (PG) a
nd Thromboxanes (TX)",Xenobiotics,"HDR through Homologous Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Sy
nthesis of bile acids and bile salts","The NLRP1 inflammasome","MECP2 regulates transcription factors","CYP2E1 reactions","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammato
ry cytokines production","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Presynaptic phase of homologous DNA pairing and strand exchange","Initia
tion of Nuclear Envelope (NE) Reformation","Transport of small molecules","Metabolism of vitamins and cofactors","Cytokine Signaling in Immune system","Signaling by GPCR","SLC-mediated transmembrane t
ransport","Ion channel transport","Diseases of hemostasis","Metabolism of water-soluble vitamins and cofactors","Signaling by Interleukins","GPCR downstream signalling","Regulation of lipid metabolism
 by PPARalpha","Transport of bile salts and organic acids","metal ions and amine compounds","Stimuli-sensing channels","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","A
ntimicrobial peptides","GPCR ligand binding","Nicotinate metabolism","Interleukin-1 family signaling","G alpha (i) signalling events","PPARA activates gene expression","Organic cation/anion/zwitterion
 transport","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Defective factor IX causes hemophilia B","Metal sequestration by antimicrobial proteins","Class A/1 (Rhodopsin-like receptors)","
Nicotinamide salvaging","Interleukin-1 signaling","Recycling of bile acids and salts","Visual phototransduction","Organic anion transport","Activation of gene expression by SREBF (SREBP)","Defective F
9 activation","Peptide ligand-binding receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived 13-series resolvins","The canonical retinoid cycle in rods (twilight visio
n)","Chemokine receptors bind chemokines"}

> <broad_targets>
{ASIC1,PTGS1,PTGS2,SLC5A8}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{ibuprofen,Nobgen,PediaProfen,Rufen,Nobfelon,Brufort,Inabrin,Pantrop,Rebugen,Suspren,Tabalon,(RS)-Ibuprofen,(RS)Ibuprofen,Anco,Urem,Ibu-slo,Ibuslo,Brufanic,Ibuprohm,Napacetin,Ibufen,Ibren,"4-Isobutylh
ydratropic acid","4Isobutylhydratropic acid","p-Isobutylhydratropic acid","pIsobutylhydratropic acid",Proartinal,Dibufen,T1394,T0448,SAM002264619,1500347,Ibuprofen,Dexibuprofen,CPD000058184,IBUPROFEN}

> <pdid>
PD001306

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{3672}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
   -0.0361   -2.9805    0.0000 C   0  0
    1.2626   -2.2300    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5793    0.0316    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11969

> <plate>
PLATE 013

> <well>
F9

> <supplier_cmpd_name>
Bemegrid

> <ctcr_id>
2290

> <supplier_cmpd_id>
T1396

> <smiles>
CCC1(C)CC(=O)NC(=O)C1

> <pd_targets>
{LMNA,KDM4E}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{GABRA1}

> <broad_moa>
{"chemoreceptor agonist"}

> <synonyms>
{bemegride,64-65-3,64653,3-Ethyl-3-methylglutarimide,3Ethyl3methylglutarimide,Methetharimide,"4-ethyl-4-methylpiperidine-2,6-dione","4ethyl4methylpiperidine2,6dione",Bemegrid,Megimide,Eukraton,Mikedim
ide,Zentraleptin,Agipnon,Megibal,Megimid,Ahypnon,Antibarbi,Malysol,"2,6-Piperidinedione, 4-ethyl-4-methyl-","2,6Piperidinedione, 4ethyl4methyl",3-M,3M,T1396,S4197,Prestw-882,Bemegride}

> <pdid>
PD010414

> <targets>
{GABA Receptor}

> <classes>
{Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{2310}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18  8  0  0  0  0            999 V2000
   32.8999    0.3750    0.0000 O   0  0
   30.3999    0.3750    0.0000 O   0  6
   27.8999    0.3750    0.0000 O   0  6
   25.3999    0.3750    0.0000 O   0  6
   22.8999    0.3750    0.0000 Al  0  1
   20.3999    0.3750    0.0000 Al  0  1
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 Si  0  0
    2.5993    0.0004    0.0000 O   0  0
    5.1007    0.0004    0.0000 O   0  0
    6.4000    0.7500    0.0000 Si  0  0
    7.6992    0.0004    0.0000 O   0  0
   10.2007    0.0004    0.0000 O   0  0
   11.5000    0.7500    0.0000 Si  0  0
   12.7992    0.0004    0.0000 O   0  0
   15.3007    0.0004    0.0000 O   0  0
   16.5999    0.7500    0.0000 Si  0  0
   17.8992    0.0004    0.0000 O   0  0
  7  8  2  0
  8  9  2  0
 10 11  2  0
 11 12  2  0
 13 14  2  0
 14 15  2  0
 16 17  2  0
 17 18  2  0
M  CHG  5   2  -2   3  -2   4  -2   5   3   6   3
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11970

> <plate>
PLATE 013

> <well>
F10

> <supplier_cmpd_name>
Sodium montmorillonite

> <ctcr_id>
11087

> <supplier_cmpd_id>
T1397

> <smiles>
O.[O--].[O--].[O--].[Al+3].[Al+3].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Montmorillonite,Bentolite,"Gelwhite L","Montmorillonite KSF",1318-93-0,1318930,"Montmorillonite K 10",UNII-A585MN1H2L,UNIIA585MN1H2L,A585MN1H2L,"Montmorillonite K-10, granules","Montmorillonite K10, 
granules",Envirobent,Neokunibond,Arcillite,Bedelix,Deriton,Metaloid,Brock,Montmorrillo,T1397,"Sodium montmorillonite"}

> <pdid>
PD009018

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{71586775}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 34  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.3229    1.2135    0.0000 N   0  0
   -6.2045    0.0000    0.0000 C   0  0
   -7.6953   -0.1561    0.0000 C   0  0
   -8.3054   -1.5264    0.0000 C   0  0
   -7.4237   -2.7399    0.0000 C   0  0
   -5.9319   -2.5831    0.0000 C   0  0
   -5.3229   -1.2135    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  1  0  0  0
   -2.5981    3.0007    0.0000 C   0  0
   -1.3002    3.7529    0.0000 C   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -2.6029    6.0009    0.0000 C   0  0
   -2.9166    7.4668    0.0000 O   0  0
   -4.4087    7.6213    0.0000 C   0  0
   -5.0166    6.2500    0.0000 O   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -3.8983    3.7488    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  9  1  0
 17 12  1  0
 10 18  1  0
 18  6  1  0
 18 19  1  1
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 22  1  0
 26 27  2  0
 27 19  1  0
  7 28  1  0
 28  2  1  0
 28 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11971

> <plate>
PLATE 013

> <well>
F11

> <supplier_cmpd_name>
Tadalafil

> <ctcr_id>
4144

> <supplier_cmpd_id>
T1398

> <smiles>
CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c5ccc6OCOc6c5)C1=O

> <pd_targets>
{PDE6A,PDE6B,PDE6C,PDE6D,PDE6G,PDE6H,PDE11A,KCNH2,PDE5A,MAPK1,PDE4A,PDE4B,PDE4C,PDE4D,ACHE}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Phosphodiesterase,"Voltage-gated ion channel",Kinase,Hydrolase,"Phosphodiesterase 6","Phosphodiesterase 11","Potassium channels","Phosphodiesterase 5","Protein Kinase","Phosphodi
esterase 4","Phosphodiesterase 6A","Phosphodiesterase 11A","Voltage-gated potassium channel","Phosphodiesterase 5A","CMGC protein kinase group","Phosphodiesterase 4A","Phosphodiesterase 6C","CMGC prot
ein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Ion channels","Cyclic nucleotide turnover/signalling","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Acetylcholine turnover",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Potass
ium channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Voltage-gated potassium channels","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Hemostasis,"Muscle contraction","Immune System",Metabolism,"Signal Transduction","Platelet homeostasis","Cardiac conduction","Innate Immune System","Metabolism of lipids","Signaling by GPCR","Nitric 
oxide stimulates guanylate cyclase","Phase 3 - rapid repolarisation","Toll-like Receptor Cascades","Phospholipid metabolism","GPCR downstream signalling","cGMP effects","Toll Like Receptor 5 (TLR5) Ca
scade","Glycerophospholipid biosynthesis","G alpha (i) signalling events","MyD88 cascade initiated on plasma membrane","Synthesis of PC","Visual phototransduction","MAP kinase activation","The phototr
ansduction cascade","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the phototransduction cascade","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PDE11A,PDE5A}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{Tadalafil,Cialis,171596-29-5,171596295,Ic351,Tadanafil,ADCIRCA,"IC 351","ICOS 351",Tadalafil(Cialis),"GF 196960",UNII-742SXX0ICT,UNII742SXX0ICT,CHEMBL779,IC-351,IC351,742SXX0ICT,GF-196960,GF196960,"T
adalafil, (6R ,12aS)-","Tadalafil, (6R ,12aS)",CHEBI:71940,LY-450190,LY450190,DSSTox_CID_26786,DSSToxCID26786,DSSTox-CID-26786,"DSSTox CID 26786",DSSTox_RID_81904,DSSToxRID81904,DSSTox-RID-81904,"DSST
ox RID 81904",DSSTox_,DSSTox,DSSTox-,T1398,SAM001246586,1505639,CPD000466321,TADALAFIL}

> <pdid>
PD000348

> <targets>
{Apoptosis,Phosphodiesterase (PDE)}

> <classes>
{erectile dysfunction therapy,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{110635}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 17  0  0  0  0            999 V2000
   12.7865   -4.1326    0.0000 H   0  3
   10.2865   -4.1326    0.0000 Cl  0  5
    6.4833   -9.7648    0.0000 C   0  0
    6.4855   -8.2648    0.0000 N   0  0
    7.7858   -7.5171    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11972

> <plate>
PLATE 013

> <well>
G2

> <supplier_cmpd_name>
Meclofenoxate hydrochloride

> <ctcr_id>
3085

> <supplier_cmpd_id>
T1401

> <smiles>
[H+].[Cl-].CN(C)CCOC(=O)COc1ccc(Cl)cc1

> <pd_targets>
{NFO,PMP22,AMPC,BLM,LEF,CYP3A4,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Hydrolase,Protease,"Cytochrome P450","Metallo protease","Cytochrome P450 family 3","Cytochrome P450 family 1","Metallo protease MAE clan","Cytochrome P450 family 3A","Cy
tochrome P450 family 1A","Metallo protease M34 family","Cytochrome P450 3A4","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family","CYP1 family"}

> <pathway_reactome>
{"Developmental Biology","DNA Repair",Disease,Metabolism,"Nervous system development","DNA Double-Strand Break Repair","Infectious disease","Metabolism of lipids","Biological oxidations","EGR2 and SOX
10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functiona
lization of compounds","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arran
ged by substrate type","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins",Xenobiotics,"Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","Aromatic am
ines can be N-hydroxylated or N-dealkylated by CYP1A2","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"nootropic agent"}

> <synonyms>
{AKOS026750100,"Meclofenoxate hydrochloride",3685-84-5,3685845,"Meclofenoxate HCl","Centrophenoxine hydrochloride",Lucidril,Cerutil,Atsefen,Marucotol,Acefen,Brenal,Centrofenoxin,Amipolen,"Meclophenoxa
te hydrochloride","Meclofenoxate (",T1401,1503226,Prestw-763,"MECLOFENOXATE HYDROCHLORIDE"}

> <pdid>
PD013213

> <targets>
{}

> <classes>
{nootropic}

> <pubchem_cids>
{66931080,19379,44654674}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -2.5764   -7.5048    0.0000 O   0  0
   -1.2730   -8.2489    0.0000 C   0  0
   -1.2647   -9.7497    0.0000 C   0  0
    0.0380  -10.4933    0.0000 O   0  0
   -2.5598  -10.5064    0.0000 O   0  0
   -1.2806   -6.7489    0.0000 C   0  0
    0.0221   -7.4921    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 16 20  1  0
 16 21  1  0
  2 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11973

> <plate>
PLATE 013

> <well>
G3

> <supplier_cmpd_name>
Fenofibric acid

> <ctcr_id>
11088

> <supplier_cmpd_id>
T1402

> <smiles>
c1c(ccc(c1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C)Cl

> <pd_targets>
{PPARA,FABP1,SLC22A12,FABP2,PPARG,CLCN1,NR1I2}

> <pathway_gtopdb>
{"Transcription factor","Auxiliary transport protein",Transporter,"Unclassified protein","Nuclear receptor","Fatty acid binding protein family","Electrochemical transporter","Nuclear hormone receptor 
subfamily 1","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1 group C","SLC22 family of organic cation and anion transporters","Nuclear hormone receptor subfamily 1 group I",
"Nuclear hormone receptor subfamily 1 group C member 1","Nuclear hormone receptor subfamily 1 group C member 3","Nuclear hormone receptor subfamily 1 group I member 2"}

> <pathway_chembl>
{Receptors,"Other protein targets",Transporters,"Ion channels","Nuclear hormone receptors","Fatty acid-binding proteins","SLC superfamily of solute carriers","Other ion channels","1C. Peroxisome proli
ferator-activated receptors","SLC22 family of organic cation and anion transporters","Chloride channels","1I. Vitamin D receptor-like receptors","Urate transporter","ClC family"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Gene expression (Transcription)","Metabolism of proteins","Metabolism of lipids","SLC-mediated transmembrane transport","RNA Polymerase II Transcription","I
on channel transport","Post-translational protein modification","Metabolism of steroids","Regulation of lipid metabolism by PPARalpha","Transport of bile salts and organic acids","metal ions and amine
 compounds","Triglyceride metabolism","Generic Transcription Pathway","Stimuli-sensing channels",SUMOylation,"Regulation of cholesterol biosynthesis by SREBP (SREBF)","PPARA activates gene expression"
,"Organic cation/anion/zwitterion transport","Triglyceride catabolism","Transcriptional Regulation by MECP2","SUMO E3 ligases SUMOylate target proteins","Activation of gene expression by SREBF (SREBP)
","Organic anion transport","MECP2 regulates transcription factors","SUMOylation of intracellular receptors"}

> <broad_targets>
{CLCN1,PPARA}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{"Fenofibric acid",42017-89-0,42017890,"Procetofenic acid","2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid","2(4(4Chlorobenzoyl)phenoxy)2methylpropanoic acid","2-(4-(4-chlorobenzoyl)phenoxy)-2-
methylpropanoic acid","2(4(4chlorobenzoyl)phenoxy)2methylpropanoic acid",Trilipix,"NSC 281318",C17H15ClO4,UNII-BGF9MN2HU1,UNIIBGF9MN2HU1,"LF 153",2-(4-(4-Chloroben,2(4(4Chloroben,T1402}

> <pdid>
PD001159

> <targets>
{MMP,PPAR¦Á}

> <classes>
{Metabolism,Proteases/Proteasome}

> <pubchem_cids>
{64929}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
   -0.0160   -5.9953    0.0000 C   0  0
    1.2859   -5.2502    0.0000 C   0  0
    1.2799   -6.7502    0.0000 C   0  0
    2.5818   -6.0055    0.0000 C   0  0
    1.2925   -3.7494    0.0000 C   0  0
   -0.0034   -2.9941    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    4.0312   -5.2378    0.0000 C   0  0
    5.4984   -5.5497    0.0000 C   0  0
    6.2484   -4.2507    0.0000 N   0  0
    5.2447   -3.1359    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
  7 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11974

> <plate>
PLATE 013

> <well>
G4

> <supplier_cmpd_name>
Climbazole

> <ctcr_id>
1250

> <supplier_cmpd_id>
T1403

> <smiles>
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2

> <pd_targets>
{KMT2A,MEN1,CYP3A4}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,"Cytochrome P450",Bromodomain,"Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{}

> <broad_moa>
{"enzyme inducer"}

> <synonyms>
{Climbazole,38083-17-9,38083179,Climbazol,"BAY-E 6975","BAYE 6975","1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one","1(4chlorophenoxy)1(1Himidazol1yl)3,3dimethylbutan2one","2-Butanon
e, 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-","2Butanone, 1(4chlorophenoxy)1(1Himidazol1yl)3,3dimethyl","1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one","1(4chlorophenoxy)1im
idazol1yl3,3dimethylbutan2one",B,T1403,S4178}

> <pdid>
PD000725

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{37907}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0  2  0  0  0
    1.2121    3.8625    0.0000 O   0  0
    0.7463    5.2884    0.0000 C   0  0  2  0  0  0
    1.6276    6.5001    0.0000 C   0  0
    3.1194    6.3435    0.0000 O   0  0
   -0.7537    5.2860    0.0000 C   0  0
   -1.2149    3.8587    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  7 10  1  0
 10 11  2  3
 11  5  1  0
  4 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15  2  1  0
 15 16  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11975

> <plate>
PLATE 013

> <well>
G5

> <supplier_cmpd_name>
Stavudine

> <ctcr_id>
6699

> <supplier_cmpd_id>
T1404

> <smiles>
CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O

> <pd_targets>
{BLM,POLB,CHRM1,ALB,"REVERSE TRANSCRIPTASE",POL,LMNA,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Secreted protein","Other nuclear protein","Family A G protein-coupled receptor",Hydrolase,Oxidoreductase,"Small molecule receptor (family A GPCR)","Monoamine receptor","Ac
etylcholine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction",Metabolism,"Cell Cycle","DNA Double-Strand Break Repair","Base Excision Repair","Signaling by GPCR","Metabolism of lipids",Mitotic,"Biological oxidations","Homology
 Directed Repair","Resolution of Abasic Sites (AP sites)","GPCR ligand binding","Metabolism of steroids","M Phase","Phase I - Functionalization of compounds","HDR through Homologous Recombination (HRR
) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Mitotic 
Metaphase and Anaphase","Ethanol oxidation","HDR through Homologous Recombination (HRR)","PCNA-Dependent Long Patch Base Excision Repair","Amine ligand-binding receptors","Recycling of bile acids and 
salts","Mitotic Anaphase","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine receptors","Nuclear Envelope (NE) Reassembly","Presynaptic phase of homologous DNA pairing and strand e
xchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA directed DNA polymerase inhibitor","nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{3056-17-5,3056175,sanilvudine,Zerit,"2',3'-Didehydro-3'-deoxythymidine","2',3'Didehydro3'deoxythymidine","Zerit Xr",BMY-27857,BMY27857,Estavudina,Stavudinum,"Stavudinum (INN-Latin)","Stavudinum (INNL
atin)","2',3'-Anhydrothymidine","2',3'Anhydrothymidine","Estavudina (INN-Spanish)","Estavudina (INNSpanish)",d4T,"Thymidine, 2',3'-didehydro-3'-deoxy-","Thymidine, 2',3'didehydro3'deoxy",3'-Deoxy,3'De
oxy,SAM002589948,SAM001246729,Prestw-1279,CPD000673569,CPD000058350,Stavudine}

> <pdid>
PD001676

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{18283}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 44  0  0  0  0            999 V2000
    7.0592   -0.7054    0.0000 C   0  0
    5.9990   -1.7665    0.0000 O   0  0
    6.3872   -3.2163    0.0000 N   0  0
    5.3265   -4.2780    0.0000 C   0  0
    3.8775   -3.8868    0.0000 C   0  0
    2.8152   -4.9458    0.0000 O   0  0
    3.4909   -2.4366    0.0000 N   0  0
    2.0479   -2.0470    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 O   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4990   -0.7410    0.0000 O   0  0
   -7.8003   -1.4887    0.0000 C   0  0
   -7.8029   -2.9887    0.0000 O   0  0
   -9.0990   -0.7365    0.0000 C   0  0
  -10.3995   -1.4838    0.0000 C   0  0
   -9.0964    0.7635    0.0000 C   0  0
  -10.3966    0.0160    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.2447    3.1359    0.0000 S   0  0
   -6.2484    4.2507    0.0000 C   0  0
   -5.4984    5.5497    0.0000 N   0  0
   -4.0312    5.2378    0.0000 C   0  0
   -2.9105    6.2349    0.0000 C   0  0
    5.7131   -5.7282    0.0000 C   0  0
    7.1061   -6.2493    0.0000 C   0  0
    7.0226   -7.7470    0.0000 S   0  0
    5.5724   -8.1304    0.0000 C   0  0
    5.0302   -9.5289    0.0000 N   0  0
    4.7596   -6.8697    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14  9  1  0
 14 15  1  0
 15  8  1  0
 15 16  2  0
 13 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 12 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 30  2  0
 34 35  1  0
  4 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 41 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11976

> <plate>
PLATE 013

> <well>
G6

> <supplier_cmpd_name>
Cefditoren pivoxil

> <ctcr_id>
846

> <supplier_cmpd_id>
T1405

> <smiles>
CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C=Cc3scnc3C)c4csc(N)n4

> <pd_targets>
{MAPT,HPGD,CYP3A4,ALDH1A1,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Cytochrome P450",Oxidoreductase,"Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4",Protease,"Serine protease","Serine protease SE clan","Se
rine protease S11 family"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Cytochrome P450","Prostaglandin synthases","CYP3 family"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Transmission across Chemical Synapses","Metabolism of lipids","Biological oxidations","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of 
specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Pos
t NMDA receptor activation events","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{117467-28-4,117467284,"117467 28 4",Spectrum2_000647,Spectrum2000647,Spectrum2-000647,"Spectrum2 000647",SPBio_000653,SPBio000653,SPBio-000653,"SPBio 000653",AKOS026750101,FT-0603054,FT0603054,"FT 06
03054",S1768,"Cefditoren Pivoxil"}

> <pdid>
PD000913

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{6728941}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 13  0  0  0  0            999 V2000
    4.2790    0.1284    0.0000 Cl  0  0
   -2.0541   -1.3755    0.0000 C   0  0
   -0.8987    0.0000    0.0000 C   0  0
    0.3852   -0.6052    0.0000 C   0  0
    1.7607   -0.2751    0.0000 C   0  0
    0.7703   -1.5223    0.0000 C   0  0
   -0.6052   -0.9721    0.0000 C   0  0
   -0.6052    0.5686    0.0000 C   0  0
    0.4035    1.7790    0.0000 C   0  0
   -0.8987    1.3205    0.0000 C   0  0
    1.7790    1.2105    0.0000 C   0  0
    0.2781    3.2738    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  3  1  0
  9 11  1  0
 11  5  1  0
  9 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11977

> <plate>
PLATE 013

> <well>
G7

> <supplier_cmpd_name>
Amantadine hydrochloride

> <ctcr_id>
11089

> <supplier_cmpd_id>
T1406

> <smiles>
Cl.C1C2CC3CC1CC(C2)(C3)N

> <pd_targets>
{NS1,BLM,LMNA,POLB,THRB,PMP22,AMPC,M,TSHR,GRIN2C,STAT6,SIGMAR1,NFKB1,GRIN1,GRIN2A,GRIN2B,GRIN2D,GRIN3A,GRIN3B,SLC22A1,SLC47A1,SLC22A2,CHRNA7,DRD2,CHRNA4,CHRNA3}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Other nuclear protein","Transcription factor","Membrane receptor","Ion channel","Other cytosolic protein",Transporter,"Nuclear receptor",Hydrolase,"Family A G protein-c
oupled receptor","Ligand-gated ion channel","Other ion channel","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Ionotropic glutamate receptor",
"Miscellaneous ion channel","SLC superfamily of solute carriers","Nicotinic acetylcholine receptor","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group A","Glycohormo
ne receptor","NMDA receptor","Type A influenza virus matrix-2 channel family","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and toxin extrusion transporters","Nico
tinic acetylcholine receptor alpha subunit","Monoamine receptor","Nuclear hormone receptor subfamily 1 group A member 2","Dopamine receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","Other protein targets",Transporters,"Nuclear hormone receptors","G protein-coupled receptors","Ligand-gated ion channels","Transcription factors","Sigma receptors","SLC supe
rfamily of solute carriers","1A. Thyroid hormone receptors","Glycoprotein hormone receptors","Ionotropic glutamate receptors","STAT transcription factors","SLC22 family of organic cation and anion tra
nsporters","SLC47 family of multidrug and toxin extrusion transporters","Nicotinic acetylcholine receptors","Dopamine receptors","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"DNA Repair","Cell Cycle","Metabolism of proteins","Developmental Biology",Disease,"Neuronal System","Immune System","Transport of small molecules","Signal Transduction","DNA Double-Strand Break Repa
ir",Mitotic,"Base Excision Repair","Post-translational protein modification","Nervous system development","Infectious disease","Transmission across Chemical Synapses","Innate Immune System","Cytokine 
Signaling in Immune system","SLC-mediated transmembrane transport","Signaling by GPCR","Homology Directed Repair","M Phase","Resolution of Abasic Sites (AP sites)",SUMOylation,"EGR2 and SOX10-mediated
 initiation of Schwann cell myelination","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Cytosolic sensors of pathogen-associated DNA","SARS-CoV Infections","
Signaling by Interleukins","Transport of bile salts and organic acids","metal ions and amine compounds","Influenza Infection","GPCR ligand binding","HDR through Homologous Recombination (HRR) or Singl
e Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","SUMO E3 ligases SUMOylate target proteins","Leishmania parasi
te growth and survival","Activation of NMDA receptors and postsynaptic events","STING mediated induction of host immune responses","Potential therapeutics for SARS","Interleukin-1 family signaling","O
rganic cation/anion/zwitterion transport","Virus Assembly and Release","Acetylcholine binding and downstream events","Class A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR)"
,"Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","SUMOylation of intracellular receptors","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor a
ctivation events","STAT6-mediated induction of chemokines","Interleukin-1 signaling","Organic cation transport","Assembly of Viral Components at the Budding Site","Assembly and cell surface presentati
on of NMDA receptors","Postsynaptic nicotinic acetylcholine receptors","Amine ligand-binding receptors","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","ADORA2B mediate
d anti-inflammatory cytokines production","Long-term potentiation","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to 
the Golgi Apparatus","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Dopamine receptors","
Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{DRD2,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A}

> <broad_moa>
{"glutamate receptor antagonist"}

> <synonyms>
{"Amantadine hydrochloride",665-66-7,665667,"1-Adamantanamine hydrochloride","1Adamantanamine hydrochloride","Amantadine HCl",Symmetrel,"1-Aminoadamantane hydrochloride","1Aminoadamantane hydrochlorid
e","adamantan-1-amine hydrochloride","adamantan1amine hydrochloride","1-Adamantylamine hydrochloride","1Adamantylamine hydrochloride","Adamantanamine hydrochloride",T1406}

> <pdid>
PD008038

> <targets>
{Dopamine}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{64150}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  4  2  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10  4  1  0
 10 11  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11978

> <plate>
PLATE 013

> <well>
G8

> <supplier_cmpd_name>
L-Menthol

> <ctcr_id>
6546

> <supplier_cmpd_id>
T1407

> <smiles>
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O

> <pd_targets>
{TRPA1,TRPM8,CACNA1C,TRPV3,OPRK1,CACNA1A,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor","Voltage-gated ion channel","Family A G protein-coupled receptor","Transient receptor potential channel","Voltage-gated calcium channel","Peptide receptor (family A 
GPCR)","Short peptide receptor (family A GPCR)","Opioid receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,"Voltage-gated ion channels","G protein-coupled receptors","Transient Receptor Potential channels","Voltage-gated calcium channels","Opioid receptors"}

> <pathway_reactome>
{"Transport of small molecules","Developmental Biology","Gene expression (Transcription)","Ion channel transport","Nervous system development","RNA Polymerase II Transcription","Stimuli-sensing channe
ls","Axon guidance","Generic Transcription Pathway","TRP channels","NCAM signaling for neurite out-growth","Transcriptional Regulation by MECP2","NCAM1 interactions","MECP2 regulates neuronal receptor
s and channels"}

> <broad_targets>
{OPRK1,TRPA1,TRPM8,TRPV3}

> <broad_moa>
{}

> <synonyms>
{ENTHOL(,l-Menthol,lMenthol,(-)-menthol,()menthol,2216-51-5,2216515,Levomenthol,l-(-)-Menthol,l()Menthol,Menthacamphor,Menthomenthol,"Peppermint camphor","(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol",
"(1R,2S,5R)2Isopropyl5methylcyclohexanol","U.S.P. Menthol",Levomentholum,"(1r,2s,5r)-(-)-menthol","(1r,2s,5r)()menthol","Menthol racemic",Hexahydrothymol,T1407,T2979,1503134,L-Menthol,DL-Menthol,MENTH
OL(-)}

> <pdid>
PD001064

> <targets>
{Endogenous Metabolite,TRP Channel}

> <classes>
{analgesic (topical),antipruritic agent,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{16666}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
   11.6982   -0.7323    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.9492    0.8772    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -6.4462    1.8312    0.0000 C   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.6199    3.9798    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  3
 16 10  1  0
 16 17  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 18  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11979

> <plate>
PLATE 013

> <well>
G9

> <supplier_cmpd_name>
Capecitabine

> <ctcr_id>
4821

> <supplier_cmpd_id>
T1408

> <smiles>
CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2OC(C)C(O)C2O

> <pd_targets>
{TYMS}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"2.1.1.- Methyltransferases"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G1 phase and G1/S transition","G1/S Transition","G1/S-Specific Transcription"}

> <broad_targets>
{TYMS}

> <broad_moa>
{"DNA synthesis inhibitor","thymidylate synthase inhibitor"}

> <synonyms>
{Capecitabine-d11,Capecitabined11,158798-73-3,158798733,"Xeloda (Roche)",1132662-08-8,1132662088,"Ro 09-1978;Xeloda","Ro 091978;Xeloda",CHEMBL144071,SCHEMBL4939140,HMS3654E12,BCP29814,NSC712807,STL452
962,AKOS015895132,MCULE-5430397636,MCULE5430397636,NSC-712807,AK-72933,AK72933,AS-14678,AS14678,M142,AB0005278,FT-0601618,FT0601618,FT-066422,FT066422,712807,S1156,"NSC 712807",Capecitabine}

> <pdid>
PD000490

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{"DNA Damage","Nucleoside Metabolic Inhibitor"}

> <pubchem_cids>
{400633}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0092   -6.0025    0.0000 O   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 O   0  0
   -3.9117   -8.2482    0.0000 C   0  0
   -5.2094   -7.4959    0.0000 N   0  0
   -3.9148   -9.7482    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11980

> <plate>
PLATE 013

> <well>
G10

> <supplier_cmpd_name>
Methocarbamol

> <ctcr_id>
365

> <supplier_cmpd_id>
T1409

> <smiles>
COc1ccccc1OCC(O)COC(N)=O

> <pd_targets>
{CA1}

> <pathway_gtopdb>
{Enzyme,Lyase}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases"}

> <pathway_reactome>
{"Immune System","Cytokine Signaling in Immune system","Signaling by Interleukins","Interleukin-12 family signaling","Interleukin-12 signaling","Gene and protein expression by JAK-STAT signaling after
 Interleukin-12 stimulation"}

> <broad_targets>
{CA1}

> <broad_moa>
{"muscle relaxant"}

> <synonyms>
{Traumacut,DSSTox_CID_3286,DSSToxCID3286,DSSTox-CID-3286,"DSSTox CID 3286",methocarbamol,532-03-6,532036,Robaxin,Lumirelax,Parabaxin,Metocarbamolo,Etroflex,Methocal,Metocarbamol,Metofenia,Miolaxene,Mi
orilas,Myolaxene,Neuraxin,Reflexyn,Relestrid,Romethocarb,Surquetil,Tresortil,Avetil,Delaxin,Miowas,P,T1409,SAM002554900,1500397,Prestw-184,Methocarbamol,CPD000058719,METHOCARBAMOL}

> <pdid>
PD001863

> <targets>
{}

> <classes>
{"muscle relaxant (skeletal)"}

> <pubchem_cids>
{4107}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    9.0983   -0.7529    0.0000 C   0  0
    7.7988   -1.5020    0.0000 C   0  0
    7.7983   -3.0020    0.0000 C   0  0
    6.4990   -0.7516    0.0000 N   0  0
    5.1988   -1.5012    0.0000 C   0  0
    5.1983   -3.0012    0.0000 O   0  0
    3.8990   -0.7508    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    2.5983   -3.0004    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -5.1985   -2.9860    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11981

> <plate>
PLATE 013

> <well>
G11

> <supplier_cmpd_name>
Torasemide

> <ctcr_id>
248

> <supplier_cmpd_id>
T1410

> <smiles>
CC(C)NC(=O)N[S](=O)(=O)c1cnccc1Nc2cccc(C)c2

> <pd_targets>
{HIF1A,KDM4E,CYP3A4,CYP2C9,HSF1,SLC12A1,SLC12A2}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator",Enzyme,"Other cytosolic protein",Transporter,Eraser,"Cytochrome P450","Electrochemical transporter","Lysine demethylase","Cytochrome P450 family 3","Cyto
chrome P450 family 2","SLC superfamily of solute carriers","Jumonji domain-containing","Cytochrome P450 family 3A","Cytochrome P450 family 2C","SLC12 family of cation-coupled chloride transporters","C
ytochrome P450 3A4","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,Transporters,"Chromatin modifying enzymes","Cytochrome P450","SLC superfamily of solute carriers","1.14.11.- Histone demethylases","CYP3 family","CYP2 family: drug metabolising subset","SLC12
 family of cation-coupled chloride transporters"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,Disease,"Transport of small molecules","Cellular responses to stress","Metabolism of lipids","Biological oxidations","Disorders of transmembrane tr
ansporters","SLC-mediated transmembrane transport","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular respo
nse to heat stress","SLC transporter disorders","Transport of inorganic cations/anions and amino acids/oligopeptides","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosyn
thesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","HSF1-dependent transactivation","Defective SLC12A1 causes Bartter syndrome 1 (BS1)","Cation-coupled Chloride cotransporters"
,"Biosynthesis of maresins",Xenobiotics,"Attenuation phase","Biosynthesis of maresin-like SPMs","CYP2E1 reactions"}

> <broad_targets>
{SLC12A1}

> <broad_moa>
{"electrolyte reabsorption inhibitor","thromboxane receptor antagonist"}

> <synonyms>
{TORSEMIDE,56211-40-6,56211406,Demadex,Torasemida,Torasemidum,Luprac,"Torasemidum (INN-Latin)","Torasemidum (INNLatin)","Torasemida (INN-Spanish)","Torasemida (INNSpanish)",Torem,Unat,"JDL 464",1-Isop
ropyl-3-((4-m-toluidino-3-pyridyl)sulfonyl)urea,1Isopropyl3((4mtoluidino3pyridyl)sulfonyl)urea,"AC 4464",AC-4464,AC4464,JDL-464,JDL464,"BM 02015",BM-0201,BM0201,T1410,SAM001246567,Prestw-1030,CPD00046
6313,Torsemide,Torasemide}

> <pdid>
PD000562

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{51371498,41781}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 23  0  0  0  0            999 V2000
   17.9976   -0.7406    0.0000 H   0  3
   15.4976   -0.7406    0.0000 Cl  0  5
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
   10.3977    0.0159    0.0000 C   0  0
   11.6963    0.7681    0.0000 C   0  0
   12.9969    0.0208    0.0000 C   0  0
   12.9939    1.5206    0.0000 C   0  0
   11.6937    2.2681    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  3  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
  4 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 15  1  0
 24 19  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11982

> <plate>
PLATE 013

> <well>
H2

> <supplier_cmpd_name>
Terbinafine hydrochloride

> <ctcr_id>
5596

> <supplier_cmpd_id>
T1411

> <smiles>
[H+].[Cl-].CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12

> <pd_targets>
{SQLE,RORC,LMNA,SLC6A2,SIGMAR1,ADRA2A,CYP2D6,ERG1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other nuclear protein",Transporter,"Membrane receptor","Other cytosolic protein",Oxidoreductase,"Nuclear receptor","Electrochemical transporter","Family A G protein-cou
pled receptor","Cytochrome P450","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Nuclear hormone recep
tor subfamily 1 group F","SLC06 neurotransmitter transporter family","Monoamine receptor","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F member 3","Adrenergic receptor","Cyt
ochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Lanosterol biosynthesis pathway","Nuclear hormone receptors","SLC superfamily of solute carriers","Sigma receptors","G protein-coupled receptor
s","Cytochrome P450","1F. Retinoic acid-related orphans","SLC6 neurotransmitter transporter family",Adrenoceptors,"CYP2 family: drug metabolising subset","Monoamine transporter subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Cell Cycle",Disease,"Signal Transduction","Metabolism of lipids","RNA Polymerase II Transcription",Mitotic,"Disorders of transmembrane transporters","Inf
ectious disease","Signaling by GPCR","Biological oxidations","Metabolism of steroids","Generic Transcription Pathway","M Phase","SLC transporter disorders","SARS-CoV Infections","GPCR ligand binding",
"Phase I - Functionalization of compounds","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Defective SLC6A2 causes ort
hostatic intolerance (OI)","Potential therapeutics for SARS","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Activation of gene expression by SREBF (SREBP)","RUN
X3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Amine ligand-binding receptors",Xenobiotics,"Nuclear Envelope (NE) Reassembly",Adrenoceptors,"CYP2E1 reactions","Initiation of Nucl
ear Envelope (NE) Reformation"}

> <broad_targets>
{SQLE}

> <broad_moa>
{"fungal squalene epoxidase inhibitor"}

> <synonyms>
{AKOS026750103,AC-761,AC761,CT0259,"Terbinafine hydrochloride","Terbinafine HCl",78628-80-5,78628805,Lamisil,"Lamisil AT",Terbinafina,Terbinafinum,UNII-012C11ZU6G,UNII012C11ZU6G,Zabel,"Terbinafine (hy
drochloride)",C21H26ClN,CPD000469152,CHEBI:77614,012C11ZU6,SAM001246565,1505392,"TERBINAFINE HYDROCHLORIDE"}

> <pdid>
PD009684

> <targets>
{}

> <classes>
{antifungal}

> <pubchem_cids>
{50986900,11324905,5282481}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    7.5844   -1.4920    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 N   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -5.4558    0.0000 Cl  0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
   11.3852    1.1820    0.0000 O   0  0
   11.3852   -0.3180    0.0000 C   0  0
   10.0859   -1.0675    0.0000 O   0  0
   12.6852   -1.0680    0.0000 C   0  0
   13.9852   -0.3180    0.0000 C   0  0
   15.2851   -1.0680    0.0000 C   0  0
   15.2851   -2.5680    0.0000 O   0  0
   16.5844   -0.3184    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23  8  1  0
 23 17  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11983

> <plate>
PLATE 013

> <well>
H3

> <supplier_cmpd_name>
Loxapine succinate salt

> <ctcr_id>
3983

> <supplier_cmpd_id>
T1412

> <smiles>
CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24.OC(=O)CCC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Loxapine succinate",27833-64-3,27833643,"Loxapine succinate salt",Cloxazepin,Loxapac,"Loxapine (succinate)",UNII-X59SG0MRYU,UNIIX59SG0MRYU,"Loxapine,succinate","CL 71563",X59SG0MRYU,CPD000058470,C22
H24ClN3O5,MLS000069383,Daxolin,MFCD00069298,NCGC00016160-02,NCGC0001616002,T1412,SAM001247061,2300242,Prestw-132,"LOXAPINE SUCCINATE"}

> <pdid>

> <targets>
{}

> <classes>
{antipsychotic}

> <pubchem_cids>
{71399,25137852}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  6  0  0  0  0            999 V2000
    7.7000    1.1254    0.0000 Na  0  3
    1.3000    2.2500    0.0000 O   0  5
    1.3000    0.7500    0.0000 S   0  0
    0.0007    0.0004    0.0000 O   0  0
    0.0011    1.5002    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.1992    0.0004    0.0000 S   0  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11984

> <plate>
PLATE 013

> <well>
H4

> <supplier_cmpd_name>
Mesna

> <ctcr_id>
2476

> <supplier_cmpd_id>
T1414

> <smiles>
[Na+].[O-][S](=O)(=O)CCS

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW148,mesna,19767-45-4,19767454,"Sodium 2-mercaptoethanesulfonate","Sodium 2mercaptoethanesulfonate",Mesnex,Uromitexan,Mistabron,"2-Mercaptoethanesulfonic acid sodium salt","2Mercaptoethanesulfoni
c acid sodium salt",Mistabronco,Mucofluid,"Sodium 2-mercaptoethane sulfonate","Sodium 2mercaptoethane sulfonate","Ethanesulfonic acid, 2-mercapto-, monosodium salt","Ethanesulfonic acid, 2mercapto, mo
nosodium salt",UNII-NR7O,UNIINR7O,T1414,SAM002548937,1502014,Prestw-1487,Mesna,CPD000059219,MESNA}

> <pdid>

> <targets>
{}

> <classes>
{mucolytic}

> <pubchem_cids>
{29769,23662354}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1894   -6.0109    0.0000 C   0  0
   -6.4897   -5.2632    0.0000 C   0  0
   -5.1922   -4.5109    0.0000 C   0  0
   -5.1872   -7.5117    0.0000 C   0  0
   -3.8869   -8.2595    0.0000 O   0  0
   -6.4847   -8.2644    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  2  0
  7 18  2  0
 18  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11985

> <plate>
PLATE 013

> <well>
H5

> <supplier_cmpd_name>
Gemfibrozil

> <ctcr_id>
1112

> <supplier_cmpd_id>
T1415

> <smiles>
Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1

> <pd_targets>
{CYP2C9,CYP2C8,FABP1,RORC,PPARA,TTR,CISD1,TSHR,SMN1,CYP1A2,SLCO1B1,SLCO1B3,SLCO2B1,SLC22A8}

> <pathway_gtopdb>
{Enzyme,"Auxiliary transport protein","Transcription factor","Secreted protein","Unclassified protein","Membrane receptor","Epigenetic regulator",Transporter,"Cytochrome P450","Fatty acid binding prot
ein family","Nuclear receptor","Family A G protein-coupled receptor",Reader,"Electrochemical transporter","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Peptide receptor (family A 
GPCR)","Methyl-lysine/arginine binding protein","Cytochrome P450 family 1","SLC superfamily of solute carriers","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","Nuclear horm
one receptor subfamily 1 group C","Glycohormone receptor","Tudor domain","Cytochrome P450 family 1A","SLC21/SLCO family of organic anion transporting polypeptides","SLC22 family of organic cation and 
anion transporters","Cytochrome P450 2C9","Cytochrome P450 2C8","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group C member 1","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,Transporters,"Cytochrome P450","Fatty acid-binding proteins","Nuclear hormone receptors",Transthyretin,"G protein-coupled receptors","SLC superfamily of solu
te carriers","CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","1C. Peroxisome proliferator-activated receptors","Glycoprotein hormone receptors","CYP1 family","SLCO family o
f organic anion transporting polypeptides","SLC22 family of organic cation and anion transporters","Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Signal Transduction",Disease,"Metabolism of RNA","Transport of small molecules","Biological oxidations","Metabolism of lipids","RNA Polymerase II Transcr
iption","Signaling by GPCR","Infectious disease","Metabolism of non-coding RNA","SLC-mediated transmembrane transport","Phase I - Functionalization of compounds","Regulation of lipid metabolism by PPA
Ralpha","Generic Transcription Pathway","Metabolism of steroids","GPCR downstream signalling","Leishmania infection","snRNP Assembly","Transport of vitamins",nucleosides,"and related molecules","Trans
port of bile salts and organic acids","metal ions and amine compounds","Cytochrome P450 - arranged by substrate type","PPARA activates gene expression","Transcriptional regulation by RUNX3","Regulatio
n of cholesterol biosynthesis by SREBP (SREBF)","G alpha (i) signalling events","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Transport of organic anions","Organic ca
tion/anion/zwitterion transport",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","Activation of gene expression by SREBF (SREBP)","Visual phototransduction","Anti-inflammatory respons
e favouring Leishmania parasite infection","Recycling of bile acids and salts","Organic anion transport","CYP2E1 reactions","The canonical retinoid cycle in rods (twilight vision)","ADORA2B mediated a
nti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{LPL,PPARA,SLCO1B1,SLCO1B3,SLCO2B1}

> <broad_moa>
{"lipoprotein lipase activator"}

> <synonyms>
{RESTW21,gemfibrozil,25812-30-0,25812300,"5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid","5(2,5Dimethylphenoxy)2,2dimethylpentanoic acid",Lopid,Jezil,Lipur,CI-719,CI719,Clearol,Gemfibrozilo,Gemfi
brozilum,Gen-Fibro,GenFibro,"2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid","2,2Dimethyl5(2,5xylyloxy)valeric acid","Pentanoic acid",5-(2,5(2,5-dimethylphenoxy)-2,5dimethylphenoxy)2,2-dimethyl-,2dimethyl,
T1415,SAM002564211,1500313,Prestw-214,Gemfibrozil,CPD000058393,GEMFIBROZIL}

> <pdid>
PD002321

> <targets>
{Cytochrome P450,PPAR}

> <classes>
{antihyperlipoproteinemic,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease}

> <pubchem_cids>
{3463}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0  1  0  0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 C   0  0  2  0  0  0
    1.6276    6.5001    0.0000 N   0  0
    3.1202    6.3434    0.0000 N   0  3
    4.6120    6.1868    0.0000 N   0  5
   -0.7537    5.2860    0.0000 C   0  0  1  0  0  0
   -1.6337    6.4985    0.0000 C   0  0
   -1.0238    7.8689    0.0000 O   0  0
   -1.2149    3.8587    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  2  0
  9 10  2  0
  7 11  1  0
 11 12  1  6
 12 13  1  0
 11 14  1  0
 14  5  1  0
  4 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18  2  1  0
 18 19  2  0
M  CHG  2   9   1  10  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11986

> <plate>
PLATE 013

> <well>
H6

> <supplier_cmpd_name>
Zidovudine

> <ctcr_id>
6679

> <supplier_cmpd_id>
T1416

> <smiles>
CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O

> <pd_targets>
{PMP22,LMNA,BLM,POL,TK1,"REVERSE TRANSCRIPTASE",ALB,PKM,TMK,TERT}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein",Enzyme,"Secreted protein",Hydrolase,Protease,Transferase,"Aspartic protease","Aspartic protease AA clan","Aspartic protease A2A subfamily"}

> <pathway_chembl>
{Enzymes,"2.7.1.40 Pyruvate kinases"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","DNA Repair","Nervous system development",Mitotic,"DNA Double-Strand Break Repair","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Hom
ology Directed Repair","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","N
uclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange",Metabo
lism,"Metabolism of lipids","Metabolism of carbohydrates","Chromosome Maintenance","Mitotic G1 phase and G1/S transition","Metabolism of steroids","Glucose metabolism","Telomere Maintenance","G1/S Tra
nsition","Bile acid and bile salt metabolism",Glycolysis,"Extension of Telomeres","G1/S-Specific Transcription","Recycling of bile acids and salts","Telomere Extension By Telomerase"}

> <broad_targets>
{TERT}

> <broad_moa>
{"nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{zidovudine,Azidothymidine,30516-87-1,3'-Azido-3'-deoxythymidine,Retrovir,AZT,"Thymidine, 3'-azido-3'-deoxy-",Zidovudinum,"ZIDOVUDINE (AZT)","Compound S",Trizivir,Zidovudina,"BW A509U",zidovudin,BWA50
9U,ZDV,UNII-4B9XT59T7S,Aztec,BW-A509U,BW-A-509U,MFCD00006536,CHEMBL129,MLS000028548,4B9XT59T7S,CHEBI:10110,3'-Deoxy-3'-azidothymidine,"NSC 602670","Azidothymidine (AZT)",NCGC00023945-05,"Zidovudinum (
Latin)",SMR000058351,"Zidovudina (Spanish)",DSSTox_CID_127,DSSTox_RID_75386,DSSTox_GSID_20127,Propolis+AZT,"3'-Azido-2',3'-Dideoxythymidine",DRG-0004,Retrovir(TM),"AZT & Li & EPO","Retrovir (TN)","CCR
IS 105","Cpd S","Intron A & AZT","HSDB 6515","Racemic Liposomal AZT","Liposomal AZT-SN-1","Liposomal AZT-SN-3","Zidovudine+PRO 140",PC-SOD+AZT,"AZT & srCD4","AZT & rIFN.alpha.2","AZT & rsT4","rIFN-bet
a seron & AZT","3'-Azido-3'-deoxythymidine (AIDS)","AZT & EPO","AZT & GM-CSF","AZT & HPA","AZT & sCD4","AZT & SST",zudovidine,"AZT & Li & GM-CSF","AZT+PRO 140","Met-SDF-1.beta. & AZT","AZT & Li & IL-1
","AZT & Li & IL-6","AZT & IL-1","AZT & IL-2","AZT & IL-6","AZT & Interferon-.alpha.-2","AZT & Concanavalin A (ConA)","AZT & Lymphoblastoid Interferon","AZT & PM-19","Met-SDF-1.beta. & Zidovudine",4lh
m,NSC-602670,"AZT & rsCD4 & rIFN.alpha.A","3'-azido-3'-deoxythymidine, AZT","DS-4152 & AZT","AZT & Colony-stimulating factor 2","AZT & NP (from PHCA or HSA)","1-(3-Azido-2,3-dideoxy-beta-D-ribofuranos
yl)thymine",3''-azido-thymidine,"K7 (P Ti2 W10 O40)","Zidovudine (USAN:USP:INN:BAN:JAN)","Zidovudine & IFNL1","Zidovudine & IFNL2","Zidovudine & IFNL3","Zidovudine (Retrovir)",COMPOUND-S,3&prime;-Azid
o-3&prime;-deoxythymidine,Spectrum_001348,"AZT & CD4(178)-PE 40","AZT & IFN.alpha.","Zidovudine & IL-29","Zidovudine & IL-28A","Zidovudine & IL-28B","AZT & Interleukin 29",Opera_ID_1602,Prestwick3_000
333,Spectrum2_000927,Spectrum3_001507,Spectrum4_000332,Spectrum5_001101,3'azido-3'deoxythymidine,"3'-Azido-3'-deoxythymidine & Erythropoietin","3'-Azido-3'-deoxythymidine & Sho-Saiko-To","Azidothymidi
ne; Zidovudine","Interferon AD + 3'-azido-3'-deoxythymidine","AZT & Interleukin 28A","AZT & Interleukin 28B","3'-Azido-3'-deoxythymidine & Concanavalin A","3'-Azido-3'-deoxythymidine & Interleukin-1",
"3'-Azido-3'-deoxythymidine & Interleukin-2","3'-Azido-3'-deoxythymidine & Interleukin-6",3'-azido3'-deoxythymidine,"AZT & IFNL1","AZT & IFNL2","AZT & IFNL3","AZT & Interferon lambda-1","AZT & Interfe
ron lambda-2","AZT & Interferon lambda-3",3''-Deoxy-3-azidothymidine,BSPBio_000365,BSPBio_003153,KBioGR_000703,KBioSS_001828,MLS001055351,MLS001076358,MLS002153202,MLS002222249,"Zidovudine & Interleuk
in 29",DivK1c_000524,SPECTRUM1502109,3'-deoxy-3'-azido-thymidine,SPBio_000834,"Zidovudine & Interleukin 28A","Zidovudine & Interleukin 28B","AZT & IL-28A","AZT & IL-28B",BPBio1_000403,GTPL4825,"Zidovu
dine (JP17/USP/INN)","3'-Azido-3'-deoxythymidine & Lithium & Erythropoietin","3'-Azido-3'-deoxythymidine & Lithium & Interleukin-1","3'-Azido-3'-deoxythymidine & Lithium & Interleukin-6","3'-Azido-3'-
deoxythymidine & Lymphoblastoid Interferon",DTXSID8020127,SCHEMBL14615088,"SN-1-dipalmitoylglycerophospho-AZT (in a lipid vesicle)","SN-3-dipalmitoylglycerophospho-AZT (in a lipid vesicle)","AZT & IL-
29",HMS501K06,KBio1_000524,KBio2_001828,KBio2_004396,KBio2_006964,KBio3_002653,"3'-Azido-3'-deoxythymidine & Heteropolyoxotungstate PM-19","racemic-dipalmitoylglycerophospho-AZT (in a lipid vesicle)",
3''-Azido-3''-deoxy-thymidine,NINDS_000524,"Zidovudine & Interferon lambda-1","Zidovudine & Interferon lambda-2","Zidovudine & Interferon lambda-3",HMS1921J20,HMS2090G11,HMS2092D06,HMS2096C07,HMS2234K
17,HMS3259H17,HMS3713C07,Pharmakon1600-01502109,ZINC3779042,3''azido-2''3''-dideoxythymidine,Tox21_110062,Tox21_110894,Tox21_202203,Tox21_300578,ANW-26899,BBL033764,BDBM50002692,CCG-39924,CZ0012,NSC75
8185,STK801891,AKOS005622576,AKOS015842610,Tox21_110062_1,"3''-azido-2'',3''-dideoxythymidine",DB00495,MCULE-8664408343,NC00666,NSC-758185,IDI1_000524,NCGC00014918-01,NCGC00023945-03,NCGC00023945-04,N
CGC00023945-06,NCGC00023945-07,NCGC00023945-08,NCGC00023945-09,NCGC00023945-10,NCGC00023945-12,NCGC00023945-13,NCGC00023945-25,NCGC00178237-01,NCGC00178237-02,NCGC00254276-01,NCGC00259752-01,AS-13019,
SBI-0051731.P002,AB0012841,"Propolis & Thymidine, 3'-azido-3'-deoxy-",S2579,SW198799-2,EN300-52518,"3'-Azido-3'-deoxythymidine, >=98 (HPLC)",C07210,D00413,J10271,W-5037,"3'-Azido-3'deoxythymidine & In
terferon .alpha.","3'-Azido-3'-deoxythymidine, >=99.0 (HPLC)",Q198504,SR-01000000098,SR-05000001587,J-700147,SR-01000000098-3,SR-05000001587-1,BRD-K72903603-001-04-6,BRD-K72903603-001-14-5,Z1723414428
,"Zidovudine, European Pharmacopoeia (EP) Reference Standard","3'-Azido-3'-deoxythymidine & Recombinant Interferon-.alpha.-2","Zidovudine, United States Pharmacopeia (USP) Reference Standard","3'-Azid
o-3'-deoxythymidine & CD4-Pseudomonas exotoxin A hybrid","Beta interferon(rIFN-beta seron) & 3'-Azido-3'-deoxythymidine(AZT)","Lecithinized superoxide dismutase & Thymidine, 3'-azido-3'-deoxy-","3'-Az
ido-2',3'-dideoxythymidine & sCD4(soluble recombinant protein)","Sulfated polysaccharide-peptidoglycan DS-4152 & 3'-Azido-3'-deoxythymidine","Thymidine, 3'-azido-3'-deoxy- & PRO 140 (Anti-CCR5 monoclo
nal antibody)","Zidovudine, Pharmaceutical Secondary Standard; Certified Reference Material","4-(4-Azido-5-hydroxy-tetrahydro-furan-2-yl)-5-methyl-3H-pyrazine-2,6-dione",146426-54-2,T1416,SAM002548971
,1502109,Prestw-333,Zidovudine,CPD000058351,"Zidovudine, AZT"}

> <pdid>
PD001380

> <targets>
{CRISPR/Cas9,HIV}

> <classes>
{RT transferase inhibitor,antiviral,Anti-infection,Cell Cycle/DNA Damage}

> <pubchem_cids>
{35370}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 54 54  0  0  0  0            999 V2000
   17.9864   -1.8831    0.0000 O   0  0
   15.4864   -1.8831    0.0000 O   0  0
   -2.4289    1.3069    0.0000 C   0  0
   -1.2813    2.2727    0.0000 C   0  0
    0.1200    1.7661    0.0000 C   0  0
    0.8286   -0.0881    0.0000 O   0  0
    2.3067    0.1720    0.0000 C   0  0
    2.8197    1.5816    0.0000 O   0  0
    3.2718   -0.9774    0.0000 C   0  0
    2.7587   -2.3869    0.0000 C   0  0
    4.7499   -0.7172    0.0000 C   0  0
    5.7170    0.4305    0.0000 O   0  0
    7.1946    0.1678    0.0000 C   0  0
    7.7126    1.5755    0.0000 C   0  0
    9.1907    1.8309    0.0000 C   0  0
   10.6746    2.0500    0.0000 C   0  0
    8.2153    2.9446    0.0000 O   0  0
    8.6627    4.3763    0.0000 C   0  0
   10.1509    0.6785    0.0000 C   0  0
   11.6290    0.9339    0.0000 O   0  0
    9.6330   -0.7293    0.0000 C   0  0
   10.5932   -1.8817    0.0000 C   0  0
    8.1549   -0.9846    0.0000 O   0  0
    5.7150   -1.8666    0.0000 C   0  0
    5.2019   -3.2762    0.0000 C   0  0
    7.1931   -1.6065    0.0000 C   0  0
    8.1554   -2.7582    0.0000 O   0  0
    7.6401   -4.1677    0.0000 C   0  0
    6.1619   -4.4232    0.0000 O   0  0
    5.6440   -5.8309    0.0000 C   0  0
    4.1659   -6.0863    0.0000 C   0  0
    6.6042   -6.9833    0.0000 C   0  0
    8.0823   -6.7280    0.0000 C   0  0
    8.6002   -5.3202    0.0000 C   0  0
   10.0783   -5.0649    0.0000 O   0  0
    9.0407   -7.8830    0.0000 N   0  0
    8.5208   -9.2900    0.0000 C   0  0
   10.5192   -7.6302    0.0000 C   0  0
    7.7061   -0.1969    0.0000 C   0  0
    8.6431   -1.3683    0.0000 C   0  0
    8.1857    1.2243    0.0000 O   0  0
    6.7410    0.9525    0.0000 C   0  0
    7.2541    2.3620    0.0000 C   0  0
    8.7312    2.6227    0.0000 C   0  0
    6.2890    3.5114    0.0000 C   0  0
    4.8109    3.2512    0.0000 N   0  0
    4.2978    1.8417    0.0000 C   0  0
    3.8458    4.4006    0.0000 C   0  0
    4.3588    5.8102    0.0000 C   0  0
    2.3677    4.1405    0.0000 C   0  0
    1.4037    5.2897    0.0000 O   0  0
    1.8546    2.7310    0.0000 C   0  0
    3.2478    3.2869    0.0000 C   0  0
    1.5258    1.2675    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 15 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 13  1  0
 11 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 28  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 36 38  1  0
 26 39  1  0
 39 40  1  0
 39 41  1  0
 39 42  1  0
 42 43  1  0
 43 44  1  0
 43 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 48 50  1  0
 50 51  1  0
 50 52  1  0
 52  5  1  0
 52 53  1  0
 52 54  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11987

> <plate>
PLATE 013

> <well>
H7

> <supplier_cmpd_name>
Azithromycin dihydrate

> <ctcr_id>
6356

> <supplier_cmpd_id>
T1419

> <smiles>
O.O.CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O

> <pd_targets>
{LMNA,MLNR,CYP3A4,TSHR,PADI4}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor",Enzyme,"Family A G protein-coupled receptor","Cytochrome P450","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Short peptide receptor (famil
y A GPCR)","Cytochrome P450 family 3A","Glycohormone receptor","Motilin receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","3.5.3.15 Peptidyl arginine deiminases (PADI)","Motilin receptor","CYP3 family","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction",Metabolism,Disease,"Chromatin organization",Mitotic,"Signaling by GPCR","Metabolism of lipids","Infectious disease","Chromatin modifying enzymes","M Phase","GPCR li
gand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SP
Ms","Leishmania parasite growth and survival","Mitotic Anaphase","Peptide ligand-binding receptors","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Nuc
lear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{MLNR}

> <broad_moa>
{"bacterial 50S ribosomal subunit inhibitor"}

> <synonyms>
{117772-70-0,117772700,FT-0602890,FT0602890,S4147,"Azithromycin Dihydrate"}

> <pdid>
PD000892

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{21946473}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 26  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    1.2956   -3.7547    0.0000 C   0  0
    1.2951   -5.2547    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.6982   -1.1376    0.0000 O   0  0
    7.6982   -2.6376    0.0000 C   0  0
    6.3990   -3.3872    0.0000 O   0  0
    8.9982   -3.3876    0.0000 C   0  0
   10.2982   -2.6376    0.0000 C   0  0
   11.5968   -3.3884    0.0000 O   0  0
   10.2996   -1.1367    0.0000 C   0  0
   11.5996   -0.3867    0.0000 C   0  0
   12.8982   -1.1376    0.0000 O   0  0
   11.6011    1.1133    0.0000 O   0  0
   10.2994   -4.1675    0.0000 C   0  0
    9.0007   -4.9182    0.0000 O   0  0
   11.5986   -4.9173    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14  8  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 19 25  1  0
 25 26  1  0
 25 27  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11988

> <plate>
PLATE 013

> <well>
H8

> <supplier_cmpd_name>
Diethylcarbamazine citrate

> <ctcr_id>
1201

> <supplier_cmpd_id>
T1420

> <smiles>
CCN(CC)C(=O)N1CCN(C)CC1.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"DIETHYLCARBAMAZINE CITRATE",1642-54-2,1642542,Dicarocide,Caritrol,"Diethylcarbamazine (citrate)",Eosinopin,Filazine,Franocide,Franozan,"Carbam Palatabs","Ethodryl citrate",Diro-Form,DiroForm,"DEC Ch
ewable",Dek-Tabs,DekTabs,"Diethylcarbamazane citrate",T1420,1500242,Prestw-284,"Diethylcarbamazine citrate"}

> <pdid>

> <targets>
{}

> <classes>
{anthelmintic}

> <pubchem_cids>
{15432}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    7.8029   -2.9887    0.0000 O   0  0
    7.8003   -1.4887    0.0000 C   0  0
    9.0983   -0.7368    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0128   -6.0039    0.0000 Cl  0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -2.5953   -1.4949    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 16  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11989

> <plate>
PLATE 013

> <well>
H9

> <supplier_cmpd_name>
Aceclofenac

> <ctcr_id>
2312

> <supplier_cmpd_id>
T1421

> <smiles>
OC(=O)COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl

> <pd_targets>
{CYP2C9,MAPK1,KMT2A,TTR,USP2,AKR1B1,LMNA,PTGS2,PTGS1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Secreted protein","Other nuclear protein","Cytochrome P450",Kinase,Reader,Protease,Oxidoreductase,"Cytochrome P450 family 2","Protein Kinase",Bromodomain,"Cysteine prot
ease","Cytochrome P450 family 2C","CMGC protein kinase group","Cysteine protease CA clan","Cytochrome P450 2C9","CMGC protein kinase MAPK family","Cysteine protease C19 family","CMGC protein kinase ER
K1"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Cytochrome P450","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes",Transthyretin,"Peptidases and proteinases","1.-.-.- Oxidoreductases","Eicosanoid turnover","CYP2
 family: drug metabolising subset","CMGC: Containing CDK",MAPK,GSK3,"CLK families","2.1.1.43 Histone methyltransferases (HMTs)","CA: Cysteine (C) Peptidases",Cyclooxygenase,"Mitogen-activated protein 
kinases (MAP kinases)","C19: Ubiquitin-specific protease","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Gene expression (Transcription)","Signal Transduction","Cell Cycle","Biological oxidations","Innate Immune System","RNA Polymerase II Transcription","Signaling by GPCR","M
etabolism of lipids",Mitotic,"Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Generic Transcription Pathway","GPCR downstream signalling","Metabolism of steroids","M Phase","B
iosynthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RU
NX1","G alpha (i) signalling events","Transcriptional Regulation by TP53","Metabolism of steroid hormones","Mitotic Metaphase and Anaphase","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabol
ism",Xenobiotics,"MyD88 cascade initiated on plasma membrane","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Visual phototransduction","Regulation of TP53 Act
ivity","Pregnenolone biosynthesis","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","CYP2E1 reactions","MAP kinase activation","The canonical r
etinoid cycle in rods (twilight vision)","Regulation of TP53 Expression and Degradation","Nuclear Envelope (NE) Reassembly","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 D
egradation","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PTGS2}

> <broad_moa>
{"prostanoid receptor antagonist"}

> <synonyms>
{RESTW17,Aceclofenac,89796-99-6,89796996,Aceclofenaco,Aceclofenacum,"Aceclofenac betadex",UNII-RPK779R03H,UNIIRPK779R03H,C16H13Cl2NO4,"2-(2-(2-(2,6-dichloroanilino)phenyl)acetyl)oxyacetic acid","2(2(2
(2,6dichloroanilino)phenyl)acetyl)oxyacetic acid",CHEBI:31159,Preservex,RPK779R03H,2-(2-(2-((2,2(2(2((2,6-dichlorophenyl)amino)phenyl)acetoxy,6dichlorophenyl)amino)phenyl)acetoxy,T1421,Prestw-175}

> <pdid>
PD001298

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{71771}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  1  0            999 V2000
    2.2090   -0.3353    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    2.7105   -0.7713    0.0000 O   0  0
    3.4192   -2.8384    0.0000 C   0  0
    4.4371   -3.9401    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15  9  1  0
  6 16  1  0
 16  2  1  0
 16 17  1  1
 17 18  1  0
 18 19  1  0
 19  2  1  0
 19 20  1  1
 19 21  1  0
 21 22  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11990

> <plate>
PLATE 013

> <well>
H10

> <supplier_cmpd_name>
Ethynyl estradiol

> <ctcr_id>
908

> <supplier_cmpd_id>
T1424

> <smiles>
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C

> <pd_targets>
{AR,ESR1,CYP2B6,ESR2,HTR4,SULT1A1,AOX1,CYP3A4,SHBG,PGR,ALOX15,CYP2B1,SLC6A3,ADORA3,SLC6A2,NR1I3,ADORA2A,OPRK1,UGT1A1,NR3C1,SLC6A4,ABCB11,OPRM1,SLC47A1,SLC22A2,SLC47A2,NR1I2}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Membrane receptor","Secreted protein",Transporter,"Nuclear receptor","Cytochrome P450","Family A G protein-coupled receptor",Transferase,Oxidoreductase,"Electrochemical
 transporter","Primary active transporter","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","SLC superfamily of so
lute carriers","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","ATP-binding cassette","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 gro
up A","Cytochrome P450 family 2B","Monoamine receptor","Cytochrome P450 family 3A","SLC06 neurotransmitter transporter family","Nucleotide-like receptor (family A GPCR)","Nuclear hormone receptor subf
amily 1 group I","Short peptide receptor (family A GPCR)","ABCB subfamily","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Nuclear
 hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group A member 1","Cytochrome P450 2B6","Nuclear hormone receptor subfamily 3 group A member 2","Serotonin recepto
r","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 3 group C member 3","Cytochrome P450 2B1","Adenosine receptor","Nuclear hormone receptor subfamily 1 group I member 3","Opioid receptor","N
uclear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 1 group I member 2"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Cytochrome P450","G protein-coupled receptors","Eicosanoid turnover","SLC superfamily of solute carriers","UDP glucuronosyltransferases (UG
T)","ATP-binding cassette transporter family","Steroid hormone receptors","CYP2 family: drug metabolising subset","5-Hydroxytryptamine receptors","CYP3 family",Lipoxygenases,"SLC6 neurotransmitter tra
nsporter family","Adenosine receptors","1I. Vitamin D receptor-like receptors","Opioid receptors","ABCB subfamily","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic
 cation and anion transporters","3C. 3-Ketosteroid receptors","3A. Estrogen receptors","Monoamine transporter subfamily","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Signal Transduction",Disease,"Neuronal System","Transport of small molecules","Metabolism of proteins","RNA Polymerase II Transcription","Biological oxid
ations","Intracellular signaling by second messengers","Infectious disease","Metabolism of vitamins and cofactors","Metabolism of lipids","Disorders of transmembrane transporters","Signaling by GPCR",
"Diseases of metabolism","Transmission across Chemical Synapses","SLC-mediated transmembrane transport","Post-translational protein modification","Generic Transcription Pathway","Phase I - Functionali
zation of compounds","PIP3 activates AKT signaling","Leishmania infection","Phase II - Conjugation of compounds","Metabolism of water-soluble vitamins and cofactors","Biosynthesis of specialized prore
solving mediators (SPMs)","SLC transporter disorders","GPCR ligand binding","Metabolic disorders of biological oxidation enzymes","Neurotransmitter clearance","Metabolism of steroids","GPCR downstream
 signalling","Transport of bile salts and organic acids","metal ions and amine compounds",SUMOylation,"Transcriptional regulation by RUNX2","Transcriptional regulation by RUNX1","Cytochrome P450 - arr
anged by substrate type","Negative regulation of the PI3K/AKT network","Leishmania parasite growth and survival","Cytosolic sulfonation of small molecules","Vitamins B6 activation to pyridoxal phospha
te","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 cau
ses orthostatic intolerance (OI)","Nuclear Receptor transcription pathway","Transcriptional Regulation by MECP2","Defective UGT1A1 causes hyperbilirubinemia","FOXO-mediated transcription","Serotonin c
learance from the synaptic cleft","Bile acid and bile salt metabolism","G alpha (i) signalling events","Organic cation/anion/zwitterion transport","SUMO E3 ligases SUMOylate target proteins","RUNX2 re
gulates bone development","RUNX1 regulates estrogen receptor mediated transcription",Xenobiotics,PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Anti-inflammatory response favouring Leishmania paras
ite infection","Biosynthesis of maresins","Biosynthesis of DPAn-3 SPMs","Nucleotide-like (purinergic) receptors","MECP2 regulates neuronal receptors and channels","FOXO-mediated transcription of oxida
tive stress","metabolic and neuronal genes","Synthesis of bile acids and bile salts","Opioid Signalling","Organic cation transport","SUMOylation of intracellular receptors","RUNX2 regulates osteoblast
 differentiation","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Adenosine 
P1 receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","G-protein activation"}

> <broad_targets>
{ESR1,ESR2,NR1I2}

> <broad_moa>
{"estrogen receptor agonist","estrogenic hormone"}

> <synonyms>
{"ethinyl estradiol",Ethynylestradiol,ETHINYLESTRADIOL,57-63-6,"Ethynyl estradiol",Ethinyloestradiol,Ginestrene,Estinyl,17-Ethinylestradiol,17alpha-Ethynylestradiol,"Progynon C",Ethinoral,Eticyclin,Et
icyclol,Etinestrol,Etinestryl,Etinoestryl,Etistradiol,Follicoral,Novestrol,Orestralyn,Spanestrin,Amenoron,Dyloform,Ertonyl,Estigyn,Estoral,Estorals,Ethidol,Inestra,Linoral,Lynoral,Menolyn,Oradiol,Prim
ogyn,Esteed,Neo-Estrone,"Primogyn C","Primogyn M",Nogest-S,Eston-E,Feminone,Palonyl,Perovex,17-Ethynylestradiol,"Diogyn E",Chee-O-Genf,Chee-O-Gen,"17-Ethinyl-3,17-estradiol",Ethynyloestradiol,"17-Ethi
nyl-3,17-oestradiol",17alpha-Ethinylestradiol,17-Ethynyloestradiol,"Estoral (Orion)","17alpha-Ethinyl estradiol",Etivex,Diognat-E,Diogyn-E,Ethinylestriol,Eticylol,Kolpolyn,Orestrayln,Ylestrol,Anovlar,
"Progynon M","Estradiol, 17-ethynyl-",17a-Ethynylestradiol,NSC-10973,"Ethinyl Estradiol (USP)",ethynyl-estradiol,17.alpha.-Ethinylestradiol,17.alpha.-Ethynylestradiol,17.alpha.-Ethynyloestradiol,Micro
follin,17a-Ethinylestradiol,UNII-423D2T571U,"17 alpha-ethinyestradiol","Ethinyl estradiol (USP)",MFCD00003690,Diprol,EE,CHEMBL691,"17-alpha-ethynyl estradiol",17.alpha.-Ethinyl-17.beta.-estradiol,Ethi
nyl-oestranol,17.alpha.-Ethynyl-17.beta.-oestradiol,Norinyl,MLS000028479,Aethinyloestradiolum,CHEBI:4903,EE2,EO,Estopherol,Prosexol,"Ethinyl E2",17.alpha.-Ethynylestradiol-l7.beta.,423D2T571U,17.alpha
.-Ethynyloestradiol-17.beta.,"Estoral (VAN)","(17beta)-17-ethynylestra-1(10),2,4-triene-3,17-diol","Aethinyoestradiol (German)",NCGC00091533-04,Etinilestradiol,Certostat,"Ethinylestradiol, 98",SMR0000
58319,Etinilestradiolo,DSSTox_CID_576,Aethinyoestradiol,Ethinylestradiolum,"Etinilestradiol (INN-Spanish)","EE(sub 2)","Ethinylestradiolum (INN-Latin)","Etinilestradiolo (DCIT)",17alpha-Ethynyloestrad
iol,DSSTox_RID_75668,17-alpha-Ethynylestradiol,DSSTox_GSID_20576,"17alpha-Ethynylestra-1,3,5(10)-triene-3,17beta-diol","17alpha-ethinyl-estra-1,3,5(10)-triene-3,17beta-diol","17-Ethynyl-3,17-dihydroxy
-1,3,5-oestratriene","19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17a)-",17alpha-Ethinylestradiol-17beta,"Ethinylestradiol (INN:BAN:JAN)",ethinyl-estradiol,17-alpha-Ethynylestradiol-17-beta,CAS-57
-63-6,17-alpha-Ethinyl-17-beta-estradiol,17-alpha-Ethynyl-17-beta-oestradiol,"component of Oracon","component of Ortrel","CCRIS 286","Estinyl (TN)","component of Demulen","HSDB 3587","EINECS 200-342-2
",OVULEN-21,OVULEN-28,"Estra-1,5(10)-triene-3,17.beta.-diol, 17-ethynyl-","BRN 2419975","Ethinyloestradiol (Steroidal oestrogens)",Ylestol,"19-Nor-17.alpha.-pregna-1,5(10)-trien-20-yne-3,17-diol",AI3-
52941,"19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17.alpha.)-",17alpha-Ethinyl-17beta-estradiol,"19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)-","component of Ovral",3WF,"Levlen (Salt/
Mix)","Oracon (Salt/Mix)","Ortrel (Salt/Mix)","17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol","Anovlar (Salt/Mix)","Desogen (Salt/Mix)",17a-Ethynyloestradiol,"Estoral ((Orion))","17alpha-ethinyle
stra-1,3,5(10)-triene-3,17beta-diol","17alpha-ethinyloestra-1,3,5(10)-triene-3,17beta-diol","Nordette (Salt/Mix)","Secrovin (Salt/Mix)","17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol","17-alph
a-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol","Seasonale (Salt/Mix)","Triphasil (Salt/Mix)","17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol","17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-bet
a-diol","17alpha-Ethinyl-3,17-dihydroxy-delta(sup1,3,5)-estratriene","17alpha-ethinyl-3,17-dihydroxy-delta(sup1,3,5)oestratriene","3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-estratriene","3,17beta-D
ihydroxy-17alpha-ethynyl-1,3,5(10)-oestratriene","Estopherol (Salt/Mix)","Estra-1,3,5(10)-triene-3,17beta-diol, 17alpha-ethynyl-","Seasonique (Salt/Mix)","17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3
,5)-estratriene","17-Ethynylestradiol ram","19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol","3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-estratriene","3,17-beta-Dihydroxy-17-alpha-ethynyl-1
,3,5(10)-oestratriene","Estra-1,3,5(10)-triene-3,17-beta-diol, 17-alpha-ethynyl-","Ortho Evra (Salt/Mix)","Tri-Levlen (Salt/Mix)","(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol","17alpha-et
hinyl-delta(sup1,3,5(10))oestratriene-3,17-beta -diol","17alpha-Ethynyloestradiol-17beta; 17beta-Estradiol, 17-ethynyl-","19-Nor-17-alpha-pregna-1,3,5(10)-triene-20-yne-3,17-diol",Opera_ID_1808,17a-Et
hynylestradiol-l7b,"17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol","19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol","Ortho-Cyclen (Salt/Mix)",17a-Ethynyloestradiol-17b,SCHEMBL4071,17
a-Ethinyl-17b-estradiol,17a-Ethynyl-17b-oestradiol,MLS000758274,MLS001424011,BIDD:ER0162,"Ethinylestradiol (JP17/INN)",GTPL7071,SGCUT00127,DTXSID5020576,"17alpha-Ethynylestradiol solution",HMS2051I19,
HMS2235J09,HMS3715J09,"17alpha-Ethynylestradiol, >=98","17.beta.-Estradiol, 17-ethynyl-","19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol",HY-B0216,NSC10973,to_000048,ZINC3812897,Tox21_111147,
Tox21_201291,Tox21_300413,BDBM50187243,LMST02010036,s1625,SBB066068,17|A-Ethynylestradiol;Ethynylestradiol,AKOS015894925,Tox21_111147_1,AC-2169,CCG-100819,DB00977,KS-5257,MCULE-5991854877,NC00069,"17.
alpha.-ethinyl-3,3,5)oestratriene","17.alpha.-Ethinyl-3,3,5)-estratriene",NCGC00091533-01,NCGC00091533-05,NCGC00091533-07,NCGC00091533-08,NCGC00091533-09,NCGC00091533-10,NCGC00254514-01,NCGC00258843-0
1,NCI60_000234,ST081364,392-EP2270017A1,392-EP2272846A1,392-EP2275422A1,392-EP2277622A1,392-EP2281816A1,392-EP2308866A1,392-EP2372017A1,392-EP2374791A1,"17-Ethynyl-3-17-dihydroxy-1,5-oestratriene","17
alpha-Ethynylestradiol, >=98.0 (HPLC)",C07534,D00554,"17-Ethynyl-3-17-dihydroxy-1,3,5-oestratriene",AB00441335-11,AB00441335_12,"WLN: L E5 B666TTT&J E1 FQ F1UU1 OQ",003E690,Q415563,SR-01000721903,"17-
Ethynylestra-1,3,5(10)-triene-3,17beta-diol","17a-Ethinylestradiol 100 microg/mL in Acetonitrile",Q-201076,SR-01000721903-3,"17-Ethynyloestra-1,5(10)-triene-3,17.beta.-diol","17.alpha.-Ethynyl-1,5-est
ratriene-3,17.beta.-diol","17.alpha.-Ethynyl-1,5-oestratriene-3,17.beta.-diol","17alpha-Ethinyl-1,3,5(10)-estratriene-3,17-diol",BRD-K48195008-001-19-9,"17-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-di
ol","17.alpha.-Ethinyl-1,3,5(10)-estratriene-3,17-diol","17alpha-Ethynyl-1,3,5(10)-estratriene-3,17beta-diol",Z1541638513,"17.alpha.-ethinylestra-1,5(10)-triene-3,17.beta.-diol","17.alpha.-ethinyloest
ra-1,5(10)-triene-3,17.beta.-diol","17.alpha.-Ethynylestra-1,5(10)-triene-3,17.beta.-diol","17.alpha.-Ethynyloestra-1,5(10)-triene-3,17.beta.-diol","17.alpha.-ethinylestra-1,3,5(10)-triene-3,17.beta.-
diol","17.alpha.-ethinyloestra-1,3,5(10)-triene-3,17.beta.-diol","17.alpha.-Ethynyl-1,3,5(10)-estratriene-3,17.beta.-diol","17.alpha.-Ethynyl-1,3,5(10)-oestratriene-3,17.beta.-diol","17.alpha.-Ethynyl
estra-1,3,5(10)-triene-3,17.beta.-diol","17.alpha.-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol","17alpha-Ethynylestradiol, VETRANAL(TM), analytical standard","19-Nor-1,3,5(10),17alpha-pregnatrien-2
0-yne-3,17-diol","19-nor-17.alpha.-Pregna-1,5(10)-trien-2-yne-3,17-diol","Estra-1,5(10)-triene-3,17.beta.-diol, 17.alpha.-ethynyl-","17.alpha.-Ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)-estratriene","17
.alpha.-ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)oestratriene","19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yn-3,17-diol","19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne-3,17-diol","19-Norpregna-1,5(10)
-trien-20-yne-3,17-diol, (17.alpha.)-","3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-estratriene","3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-oestratriene","Estra-1,3,5(10)-triene-3,17.beta.
-diol, 17.alpha.-ethynyl-","Ethinylestradiol, European Pharmacopoeia (EP) Reference Standard","17.alpha.-ethinyl-.delta.(sup1,3,5(10))oestratriene-3,17-.beta. -diol","17.alpha.-ethinyl-.delta.(sup1,5(
10))oestratriene-3,17-.beta.-diol","19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne-3,17.beta.-diol","Ethinyl estradiol, United States Pharmacopeia (USP) Reference Standard","(9beta,13alpha,14beta,17al
pha)-17-ethynylestra-1(10),2,4-triene-3,17-diol",1050678-65-3,SAM001247008,Prestw-1405,CPD000058319,Ethinylestradiol}

> <pdid>
PD002336

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5991}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    5.0987   -2.0203    0.0000 K   0  3
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -3.8978   -3.7504    0.0000 C   0  0
   -4.0380   -5.2310    0.0000 N   0  5
   -5.5057   -5.5406    0.0000 N   0  0
   -6.2536   -4.2404    0.0000 N   0  0
   -5.2482   -3.1272    0.0000 N   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  2  0
M  CHG  2   1   1  15  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11991

> <plate>
PLATE 013

> <well>
H11

> <supplier_cmpd_name>
Pemirolast potassium

> <ctcr_id>
11090

> <supplier_cmpd_id>
T1425

> <smiles>
[K+].Cc1cccn2c1ncc(c2=O)c1[n-]nnn1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"PEMIROLAST POTASSIUM",100299-08-9,100299089,Alamast,"Pemirolast potassium salt",Pemilaston,BMY-26517,BMY26517,UNII-497A17OUUE,UNII497A17OUUE,Alegysal,TWT-8152,TWT8152,497A17OUUE,TBX,"100299-08-9 (po
tassium)","100299089 (potassium)","potassium 5-(9-methyl-4-oxo-4H-pyrido(1","potassium 5(9methyl4oxo4Hpyrido(1",2-a)pyrimidin-3-yl)tetra,2a)pyrimidin3yl)tetra,T1425,"Pemirolast potassium"}

> <pdid>

> <targets>
{"H1 receptor"}

> <classes>
{"GPCR/G Protein",Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{443866}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11992

> <plate>
PLATE 014

> <well>
A2

> <supplier_cmpd_name>
Pyrazinamide

> <ctcr_id>
6821

> <supplier_cmpd_id>
T1426

> <smiles>
NC(=O)c1cnccn1

> <pd_targets>
{TSHR,FAS}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Family A G protein-coupled receptor",Transferase,"Peptide receptor (family A GPCR)","Glycohormone receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Glycoprotein hormone receptors"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{FASN}

> <broad_moa>
{"fatty acid synthase inhibitor"}

> <synonyms>
{pyrazinamide,pyrazinecarboxamide,98-96-4,98964,pyrazine-2-carboxamide,pyrazine2carboxamide,"pyrazinoic acid amide",2-Pyrazinecarboxamide,2Pyrazinecarboxamide,Zinamide,Aldinamide,Tebrazid,Aldinamid,Pi
razinamid,Pyrazineamide,Pyrafat,Unipyranamide,Farmizina,Pirazimida,"pyrazine carboxylamide",T1426,SAM002554927,1500518,Prestw-514,Pyrazinamide,CPD000036662,PYRAZINAMIDE}

> <pdid>
PD001773

> <targets>
{Antibiotic,Autophagy,Bacterial}

> <classes>
{tuberculostatic,antibacterial,Anti-infection,Autophagy}

> <pubchem_cids>
{1046}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 P   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -2.6044   -4.4969    0.0000 O   0  0
   -1.3070   -5.2494    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11993

> <plate>
PLATE 014

> <well>
A3

> <supplier_cmpd_name>
Fosfosal

> <ctcr_id>
4012

> <supplier_cmpd_id>
T1427

> <smiles>
OC(=O)c1ccccc1O[P](O)(O)=O

> <pd_targets>
{HPGD,ALDH1A1,HSD17B10,KDM4E}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Oxidoreductase,Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Chromatin modifying enzymes","Prostaglandin synthases","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biological oxidations","Metabolism of amino acids and derivatives","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compo
unds","Branched-chain amino acid catabolism","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Biosynthesis of D-series resolvins"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{"2-(Phosphonooxy)benzoic acid","2(Phosphonooxy)benzoic acid",6064-83-1,6064831,Disdolen,"2-Carboxyphenyl phosphate","2Carboxyphenyl phosphate","Salicyl phosphate","o-Carboxyphenyl phosphate","oCarbox
yphenyl phosphate","2-Phosphonooxybenzoic acid","2Phosphonooxybenzoic acid","2-Phosphonoxybenzoic acid","2Phosphonoxybenzoic acid","Phosphonoxybenzoic acid","o-(Phosphonooxy)benzoic aci","o(Phosphonoo
xy)benzoic aci",T1427,1502012,Prestw-815,Fosfosal,FOSFOSAL}

> <pdid>
PD001434

> <targets>
{}

> <classes>
{analgesic,antiinflammatory}

> <pubchem_cids>
{3418}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  1  0            999 V2000
    7.0533   -0.4702    0.0000 O   0  0
    6.4430   -1.8405    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0  1  0  0  0
    3.9511   -0.8815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0  2  0  0  0
    4.8089   -4.6669    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2985    3.7517    0.0000 F   0  0
   -1.2993    3.7504    0.0000 F   0  0
   -0.0007    4.5008    0.0000 F   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  7  8  1  1
  5  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15  9  1  0
 15 16  2  0
 11 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11994

> <plate>
PLATE 014

> <well>
A4

> <supplier_cmpd_name>
Trifluridine

> <ctcr_id>
1008

> <supplier_cmpd_id>
T1428

> <smiles>
OC[C@H]1OC(C[C@@H]1O)N2C=C(C(=O)NC2=O)C(F)(F)F

> <pd_targets>
{ALOX12,TMK,LMNA,UL23,AMPC,LMP1,TYMS}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Unclassified protein",Transferase,Hydrolase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","2.1.1.- Methyltransferases",Lipoxygenases}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Metabolism of lipids",Mitotic,"Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Mitotic G1 phase and G1/S transition","Biosynthesis of DPA-derived SPMs",
"Mitotic Metaphase and Anaphase","G1/S Transition","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","G1/S-Specific Transcription","Biosynthesis of DPAn-3-derived maresins","Nuclear Envelope (NE) Reass
embly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TYMS}

> <broad_moa>
{"DNA directed DNA polymerase inhibitor","thymidylate synthase inhibitor"}

> <synonyms>
{NCGC00166323-01,NCGC0016632301,Spectrum_001560,Spectrum001560,Spectrum-001560,"Spectrum 001560",SpecPlus_000960,SpecPlus000960,SpecPlus-000960,"SpecPlus 000960",Prestwick3_001056,Prestwick3001056,Pre
stwick3-001056,"Prestwick3 001056",Spectrum3_001653,Spectrum3001653,Spectrum3-001653,"Spectrum3 001653",Spectrum4_000617,Spectrum4000617,Spectrum4-000617,"Spectrum4 000617",Spectrum5_001542,Spectrum50
01542,Spectrum5-001542,"Spectrum5 001542",BSPBio_001012,BSPBio001012,BSPBio-001012,"BSPBio 001012",BSPBio_003405,BSPBio003405,BSPBio-003405,"BSPBio 003405",KBioGR_001174,KBioGR001174,KBioGR-001174,"KB
ioGR 001174",KBioSS_002040,KBioSS002040,KBioSS-002040,"KBioSS 002040",MLS002154131,DivK1c_007056,DivK1c007056,DivK1c-007056,"DivK1c 007056",SPECTRUM1504183,BPBio1_001114,BPBio1001114,BPBio1-001114,"BP
Bio1 001114",CHEBI:95193,T1428,1504183,Trifluridine,TRIFLURIDINE}

> <pdid>
PD001241

> <targets>
{}

> <classes>
{"antiviral (opthalmic)"}

> <pubchem_cids>
{6708818}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  1  0            999 V2000
   -0.2670   -5.4825    0.0000 C   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2133   -4.7099    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
   -0.6870   -2.7320    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 12  1  0
 18 19  1  6
 18 20  1  0
 20  9  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23  4  1  0
 23  8  1  0
 23 24  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11995

> <plate>
PLATE 014

> <well>
A5

> <supplier_cmpd_name>
Hydroxyprogesterone

> <ctcr_id>
1348

> <supplier_cmpd_id>
T1429

> <smiles>
CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C

> <pd_targets>
{SERPINA6,LMNA,MAPT,PGR,BLM,AR,KMT2A,MEN1,SHBG,MAPK3,NFO,REP,SLC6A3,NR3C1,ADORA3}

> <pathway_gtopdb>
{"Secreted protein","Other nuclear protein","Other cytosolic protein","Transcription factor",Enzyme,"Epigenetic regulator",Transporter,"Membrane receptor","Nuclear receptor",Reader,Kinase,Hydrolase,Tr
ansferase,"Electrochemical transporter","Family A G protein-coupled receptor","Nuclear hormone receptor subfamily 3",Bromodomain,"Protein Kinase","SLC superfamily of solute carriers","Small molecule r
eceptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group C","CMGC protein kinase group","SLC06 neurotransmitter transporter family","Nucleotide-like receptor (family A GPCR)","Nuclear horm
one receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 3 group C member 1","Adenosine 
receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Anti-infective targets","SLC superfamily of solute carriers","G protein-coupled receptors","
Steroid hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Viral protein targets","SLC6 neurotransmitter transporter family","Adenosine receptors","3C. 3-Ketosteroid receptors","Mitog
en-activated protein kinases (MAP kinases)","Coronavirus (CoV) proteins","Monoamine transporter subfamily","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Neuronal System","DNA Repair","Gene expression (Transcription)","Immune System",Disease,"Signal Transduction","Metabolism of lipids",Mitotic,"Transmission across Chemical Syn
apses","DNA Double-Strand Break Repair","RNA Polymerase II Transcription","Innate Immune System","Infectious disease","Disorders of transmembrane transporters","Signaling by GPCR","Metabolism of stero
ids","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Homology Directed Repair","Generic Transcription Pathway","Toll-like Receptor Cascades","SARS-CoV Infections","SLC tra
nsporter disorders","GPCR ligand binding","Metabolism of steroid hormones","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","HDR through Homologous Recombination
 (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX2","Toll Like Receptor 5 (TLR5) Cascade","SARS-CoV-2 Infection","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PK
DYS)","FOXO-mediated transcription","Class A/1 (Rhodopsin-like receptors)","Glucocorticoid biosynthesis","Mitotic Anaphase","Post NMDA receptor activation events","HDR through Homologous Recombination
 (HRR)","RUNX2 regulates bone development","MyD88 cascade initiated on plasma membrane","SARS-CoV-2 Genome Replication and Transcription","FOXO-mediated transcription of oxidative stress","metabolic a
nd neuronal genes","Nucleotide-like (purinergic) receptors","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","RUNX2 regulates o
steoblast differentiation","MAP kinase activation","Replication of the SARS-CoV-2 genome","Adenosine P1 receptors","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DN
A pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PGR}

> <broad_moa>
{"progesterone receptor agonist"}

> <synonyms>
{17beta-Hydroxyprogesterone,17betaHydroxyprogesterone,17alpha-Hydroxyprogeoterone,17alphaHydroxyprogeoterone,604-09-1,604091,Spectrum_000380,Spectrum000380,Spectrum-000380,"Spectrum 000380",Spectrum2_
001219,Spectrum2001219,Spectrum2-001219,"Spectrum2 001219",Spectrum3_001758,Spectrum3001758,Spectrum3-001758,"Spectrum3 001758",Spectrum4_001785,Spectrum4001785,Spectrum4-001785,"Spectrum4 001785",Spe
ctrum5_000429,Spectrum5000429,Spectrum5-000429,"Spectrum5 000429",BSPBio_003496,BSPBio003496,BSPBio-003496,"BSPBio 003496",KBioGR_002331,KBioGR002331,KBioGR-002331,"KBioGR 002331",KBioSS_000860,KBioSS
000860,KBioSS-000860,"KBioSS 000860",SPECTRUM1701060,SPBio_001038,SPBio001038,SPBio-001038,"SPBio 001038",CHEMBL302529,MEG,T1429,1701060,Hydroxyprogesterone,HYDROXYPROGESTERONE}

> <pdid>
PD000437

> <targets>
{}

> <classes>
{progestagen}

> <pubchem_cids>
{6710628}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5109    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11996

> <plate>
PLATE 014

> <well>
A6

> <supplier_cmpd_name>
Betamipron

> <ctcr_id>
3730

> <supplier_cmpd_id>
T1430

> <smiles>
OC(=O)CCNC(=O)c1ccccc1

> <pd_targets>
{MAPT,GLA,LMNA,SLC22A6,SLC22A8}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Other nuclear protein",Transporter,Hydrolase,"Electrochemical transporter","SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporter
s"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters","Organic anion transporters (OATs)"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Cell Cycle","Transport of small molecules","Transmission across Chemical Synapses","Metabolism of lipids",Mitotic,"SLC-mediated transmembrane transport","Neurotransmitte
r receptors and postsynaptic signal transmission","Sphingolipid metabolism","M Phase","Transport of bile salts and organic acids","metal ions and amine compounds","Activation of NMDA receptors and pos
tsynaptic events","Glycosphingolipid metabolism","Mitotic Metaphase and Anaphase","Organic cation/anion/zwitterion transport","Post NMDA receptor activation events","Mitotic Anaphase","Organic anion t
ransport","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"panipenem uptake inhibitor"}

> <synonyms>
{Betamipron,3440-28-6,3440286,Benzoyl-beta-alanine,Benzoylbetaalanine,"3-benzamidopropanoic acid","3benzamidopropanoic acid",N-Benzoyl-beta-alanine,NBenzoylbetaalanine,"3-Benzamidopropionic acid","3Be
nzamidopropionic acid","Betamipron (INN:JAN)",N-(phenylcarbonyl)-beta-alanine,N(phenylcarbonyl)betaalanine,"3-(Benzoylamino)propionic acid","3(Benzoylamino)propionic acid","beta-Alanine, N-benzoyl-","
betaAlanine, Nbenzoyl",UNII-3W0,UNII3W0,T1430,1504244,BETAMIPRON}

> <pdid>
PD001212

> <targets>
{}

> <classes>
{sweetener}

> <pubchem_cids>
{71651}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 O   0  0
    1.8032    3.1233    0.0000 C   0  0
    0.3114    2.9665    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  4  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19  3  1  0
 19 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11997

> <plate>
PLATE 014

> <well>
A7

> <supplier_cmpd_name>
Khellin

> <ctcr_id>
3197

> <supplier_cmpd_id>
T1431

> <smiles>
COc1c2occc2c(OC)c3C(=O)C=C(C)Oc13

> <pd_targets>
{MAPK1,CYP2C19,ALDH1A1,CYP2D6,CYP1A2,HPGD,CYP3A4,CYP1B1,CYP1A1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450",Oxidoreductase,"Protein Kinase","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","CMGC protein kinase group","Cytochrome P450 family 2C
","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Cytochrome P450 family 1B","CMGC protein kinase MAPK family","Cytochrome P450 2C19","Cytochrome P450 2D6","Cytoch
rome P450 1A1","Cytochrome P450 3A4","Cytochrome P450 1B1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Cytochrome P450","Eicosanoid turnover","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP2 family: drug metabolising subset","CYP1 family","Prostaglandin synthases",
"CYP3 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Immune System",Metabolism,"Innate Immune System","Biological oxidations","Metabolism of lipids","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","Biosynthesis of specialized 
proresolving mediators (SPMs)","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","MyD88 cascade initiated on p
lasma membrane",Xenobiotics,"Biosynthesis of D-series resolvins","Biosynthesis of maresins","Endogenous sterols","MAP kinase activation","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-
dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{vasodilator}

> <synonyms>
{Gynokhellin,Intercellin,Hkelfren,AI3-52114,AI352114,Prestwick_287,Prestwick287,Prestwick-287,"Prestwick 287",Spectrum_000079,Spectrum000079,Spectrum-000079,"Spectrum 000079","Khellin, for microscopy"
,Opera_ID_372,OperaID372,Opera-ID-372,"Opera ID 372","4,9-Dimethoxy-7-methyl-5H-furo(3,2-g)-(1)benzopyran-5-one","4,9Dimethoxy7methyl5Hfuro(3,2g)(1)benzopyran5one",Prestwick0_000091,Prestwick0000091,P
restwick0-000091,"Prestwick0 000091",Prestwick1_000091,Prestwick1000091,Prestwick1-000091,"Prestwick1 000091",Prestwick2_000091,Prestwick2000091,Prestwick2-000091,"Prestwick2 000091",Prestwick3_00,Pre
stwick300,Prestwick3-00,"Prestwick3 00",T1431,NSC8519,210866,Prestw-91,"NSC 8519",Khellin,KHELLIN,Khell}

> <pdid>
PD002136

> <targets>
{}

> <classes>
{vasodilator}

> <pubchem_cids>
{3828}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    3.6396   -8.4623    0.0000 C   0  0
    4.5250   -7.2514    0.0000 C   0  0
    3.9195   -5.8781    0.0000 C   0  0
    4.8054   -4.6666    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    6.4451   -1.8434    0.0000 O   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.6120   -3.9767    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  8 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11998

> <plate>
PLATE 014

> <well>
A8

> <supplier_cmpd_name>
Phenylbutazone

> <ctcr_id>
5085

> <supplier_cmpd_id>
T1432

> <smiles>
CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3

> <pd_targets>
{HPGD,CYP2C9,PTGS1,PTGS2,ALDH1A1,FPR1,HSD17B10,CYP3A4,MAPT,NS1,MAPK1,NPSR1,LMNA,FFP,NAPRT,SLC22A8,PTGIS}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein","Unclassified protein","Other nuclear protein",Transporter,"Cytochrome P450",Oxidoreductase,"Family A G protein-coupled receptor",Kinase,Transfera
se,Ligase,"Electrochemical transporter","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Protein Kinase","SLC superfamily of solute carriers","Cytochrome P450 
family 8","Cytochrome P450 family 2C","N-formyl methionyl peptide receptor","Cytochrome P450 family 3A","CMGC protein kinase group","Short peptide receptor (family A GPCR)","SLC22 family of organic ca
tion and anion transporters","Cytochrome P450 family 8A","Cytochrome P450 2C9","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Neuropeptide receptor","Cytochrome P450 8A1","CMGC protein kinas
e ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Eicosanoid turnover","Cytochrome P450","G protein-coupled receptors","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Prostaglandin synthases","CYP2 family
: drug metabolising subset","Formylpeptide receptors","CYP3 family",Cyclooxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","SLC22 family of organic cation and anion t
ransporters",CYP5,"CYP7 and CYP8 families","Mitogen-activated protein kinases (MAP kinases)","Organic anion transporters (OATs)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Neuronal System","Immune System",Disease,"Cell Cycle","Transport of small molecules","Metabolism of lipids","Biological oxidations","Signaling by GPCR","Metabolism o
f amino acids and derivatives","Transmission across Chemical Synapses","Innate Immune System","Infectious disease",Mitotic,"Metabolism of vitamins and cofactors","SLC-mediated transmembrane transport"
,"Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","GPCR ligand binding","Branched-chain amino acid catabolism","Neurotransmitter receptors and pos
tsynaptic signal transmission","Fatty acid metabolism","Toll-like Receptor Cascades","Leishmania infection","M Phase","Metabolism of water-soluble vitamins and cofactors","Transport of bile salts and 
organic acids","metal ions and amine compounds","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Activation
 of NMDA receptors and postsynaptic events","Arachidonic acid metabolism","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Nicotinate m
etabolism","Organic cation/anion/zwitterion transport","Biosynthesis of DPA-derived SPMs","Biosynthesis of D-series resolvins",Xenobiotics,"Peptide ligand-binding receptors","Biosynthesis of maresins"
,"Post NMDA receptor activation events","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leishmania parasite 
infection","Mitotic Anaphase","Nicotinamide salvaging","Organic anion transport","Biosynthesis of DPAn-3 SPMs","Endogenous sterols","CYP2E1 reactions","Formyl peptide receptors bind formyl peptides an
d many other ligands","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope 
(NE) Reassembly","Sterols are 12-hydroxylated by CYP8B1","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivat
ed"}

> <broad_targets>
{PTGIS,PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor","prostanoid receptor antagonist"}

> <synonyms>
{phenylbutazone,50-33-9,50339,"4-Butyl-1,2-diphenylpyrazolidine-3,5-dione","4Butyl1,2diphenylpyrazolidine3,5dione",Butazolidine,Fenilbutazona,Phenylbutazonum,Butazolidin,Diphenylbutazone,Butapirazol,B
utapyrazole,Butacote,Butadion,Azolid,Bute,Alkabutazona,Butapirazole,Chembutazone,Fenibu,T1432,1500482,Prestw-1310,Phenylbutazone,PHENYLBUTAZONE}

> <pdid>
PD001804

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{4781}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 22  0  0  0  0            999 V2000
   11.4904   -5.2561    0.0000 H   0  3
    8.9904   -5.2561    0.0000 Cl  0  5
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    5.1717  -12.0118    0.0000 O   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  4 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
11999

> <plate>
PLATE 014

> <well>
A9

> <supplier_cmpd_name>
Ritodrine hydrochloride

> <ctcr_id>
1442

> <supplier_cmpd_id>
T1433

> <smiles>
[H+].[Cl-].CC(NCCc1ccc(O)cc1)C(O)c2ccc(O)cc2

> <pd_targets>
{GALR3,ADRB2,ADRB3,HIF1A,LMNA}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor","Other nuclear protein","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Short peptide re
ceptor (family A GPCR)","Monoamine receptor","Galanin receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Galanin receptors",Adrenoceptors}

> <pathway_reactome>
{"Signal Transduction",Disease,"Cellular responses to external stimuli","Cell Cycle","Signaling by GPCR","Infectious disease","Cellular responses to stress",Mitotic,"GPCR ligand binding","Leishmania i
nfection","Cellular response to hypoxia","M Phase","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor 
Alpha","Mitotic Metaphase and Anaphase","Peptide ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","ADORA2B mediated anti-inflammatory c
ytokines production","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{AKOS026750105,"Ritodrine hydrochloride","DU21220 (hydrochloride)",MLS000069561,SMR000058836,"23239-51-2 (HCl)","23239512 (HCl)",threo-DU21220,threoDU21220,Opera_ID_1136,OperaID1136,Opera-ID-1136,"Ope
ra ID 1136",SPECTRUM1501149,SCHEMBL3677545,CHEMBL1367605,NIOSH/DO6524500,HMS1921L05,Pharmakon1600-01501149,Pharmakon160001501149,CCG-3,CCG3,1501149,S2533,"RITODRINE HYDROCHLORIDE","Ritodrine HCl"}

> <pdid>
PD009677

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"muscle relaxant (smooth)","Neuronal Signaling"}

> <pubchem_cids>
{657393,6603122}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 52 54  0  0  1  0            999 V2000
   -2.5993   -0.0041    0.0000 C   0  0
   -1.3013    0.7478    0.0000 C   0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0
    0.0000   -1.5000    0.0000 O   0  0
    1.3000   -2.2500    0.0000 C   0  0
    1.3000   -3.7500    0.0000 O   0  0
    2.6000   -1.5000    0.0000 C   0  0  2  0  0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000   -2.2500    0.0000 C   0  0  1  0  0  0
    4.4104   -3.6614    0.0000 O   0  0
    3.4441   -4.8097    0.0000 C   0  0  1  0  0  0
    3.9521   -6.2211    0.0000 C   0  0
    2.9840   -7.3668    0.0000 C   0  0  1  0  0  0
    1.9881   -8.4884    0.0000 C   0  0
    4.4471   -7.5929    0.0000 O   0  0
    5.4157   -6.4476    0.0000 C   0  0
    1.5077   -7.1012    0.0000 C   0  0  1  0  0  0
    0.5395   -8.2469    0.0000 O   0  0
    0.9995   -5.6899    0.0000 C   0  0  2  0  0  0
   -0.4768   -5.4243    0.0000 C   0  0
    1.9677   -4.5442    0.0000 O   0  0
    5.2000   -1.5000    0.0000 C   0  0  2  0  0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000   -2.2500    0.0000 C   0  0  1  0  0  0
    6.4969   -3.7508    0.0000 O   0  0
    7.7946   -4.5047    0.0000 C   0  0  2  0  0  0
    9.0943   -3.7556    0.0000 O   0  0
   10.3928   -4.5065    0.0000 C   0  0  2  0  0  0
   11.6923   -3.7573    0.0000 C   0  0
   10.3918   -6.0065    0.0000 C   0  0
    9.0923   -6.7556    0.0000 C   0  0  1  0  0  0
    7.7937   -6.0048    0.0000 C   0  0  1  0  0  0
    6.4942   -6.7539    0.0000 O   0  0
    9.0882   -8.2564    0.0000 N   0  0
    7.7876   -9.0037    0.0000 C   0  0
   10.3855   -9.0096    0.0000 C   0  0
    7.8000   -1.5000    0.0000 C   0  0  1  0  0  0
    9.0804   -0.7186    0.0000 C   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0  1  0  0  0
    6.5000    2.2500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0  2  0  0  0
    3.9000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0  1  0  0  0
    2.6000   -1.5000    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0  1  0  0  0
   -0.0164    1.4691    0.0000 C   0  0
    2.6163    1.4692    0.0000 O   0  0
    7.7633   -2.9800    0.0000 O   0  0
    6.4645   -3.7303    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  6
 11 10  1  1
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  6
 19 21  1  0
 21 11  1  0
  9 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  6
 26 25  1  6
 26 27  1  0
 27 28  1  0
 28 29  1  6
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 26  1  0
 32 33  1  1
 31 34  1  6
 34 35  1  0
 34 36  1  0
 24 37  1  0
 37 38  1  6
 37 39  1  0
 39 40  1  0
 40 41  1  6
 40 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  1
 44 46  1  0
 46 47  1  1
 46 48  1  0
 48  3  1  0
 48 49  1  6
 48 50  1  0
 37 51  1  0
 51 52  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12000

> <plate>
PLATE 014

> <well>
A10

> <supplier_cmpd_name>
Clarithromycin

> <ctcr_id>
6484

> <supplier_cmpd_id>
T1434

> <smiles>
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC

> <pd_targets>
{KCNH2,CYP3A4,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,MAPK1,SLCO1B1,ABCB1,SLCO1B3,RPLJ}

> <pathway_gtopdb>
{"Ion channel",Enzyme,Transporter,"Voltage-gated ion channel","Cytochrome P450","Ligand-gated ion channel",Kinase,"Electrochemical transporter","Primary active transporter","Potassium channels","Cytoc
hrome P450 family 3","GABA-A receptor","Protein Kinase","SLC superfamily of solute carriers","ATP-binding cassette","Voltage-gated potassium channel","Cytochrome P450 family 3A","CMGC protein kinase g
roup","SLC21/SLCO family of organic anion transporting polypeptides","ABCB subfamily","Cytochrome P450 3A4","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{"Ion channels",Enzymes,Transporters,"Voltage-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","ATP-binding cassette transporter family","Potassium cha
nnels","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLCO family of organic anion transporting polypeptides","ABCB subfamily","Voltage-gated potassium channels","Mitogen-activated pro
tein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Muscle contraction",Metabolism,"Immune System","Cardiac conduction","Metabolism of lipids","Innate Immune System","Abacavir transport and metabolism","Phase 3 - rapid repolarisation","Biosynthesis o
f specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Metabolism of steroids","Abacavir transmembrane transport","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) C
ascade","Bile acid and bile salt metabolism","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","Recycling of bile acids and salts","Biosynthesis of maresin-like SPMs","MAP kinase
 activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CYP3A4}

> <broad_moa>
{"bacterial 50S ribosomal subunit inhibitor"}

> <synonyms>
{clarithromycin,81103-11-9,81103119,Biaxin,6-O-Methylerythromycin,6OMethylerythromycin,Klaricid,"6-O-Methylerythromycin a","6OMethylerythromycin a",Clarithromycine,Clathromycin,Abbott-56268,Abbott5626
8,"Erythromycin, 6-O-methyl-","Erythromycin, 6Omethyl",A-56268,A56268,Macladin,Clarith,Klacid,Kofron,Veclam,Clarithromycinum,Naxy,TE-031,TE031,Bi,T1434,SAM001246748,1504231,Prestw-1378,Clarithromycin,
CPD000466382,CLARITHROMYCIN}

> <pdid>
PD001219

> <targets>
{Antibiotic,Autophagy,Bacterial,Cytochrome P450}

> <classes>
{antibacterial,Anti-infection,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{84029}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  6  1  0
 15 10  1  0
  4 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12001

> <plate>
PLATE 014

> <well>
A11

> <supplier_cmpd_name>
Praziquantel

> <ctcr_id>
6337

> <supplier_cmpd_id>
T1435

> <smiles>
O=C1CN(CC2N1CCc3ccccc23)C(=O)C4CCCCC4

> <pd_targets>
{BLM,TP53,ABCB11,LMNA,ALDH1A1,MAPK1,CHRM1,CYP3A4,NPSR1,TSHR,CYP2C19,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Transporter,"Other nuclear protein","Membrane receptor","Auxiliary transport protein","Primary active transporter",Oxidoreductase,Kinase,"Family A G protein-coupled rece
ptor","Cytochrome P450","Calcium channel auxiliary subunit beta family","ATP-binding cassette","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Peptide receptor (
family A GPCR)","ABCB subfamily","CMGC protein kinase group","Monoamine receptor","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","CMGC protein kinase MAPK family","Acetylcholine 
receptor","Cytochrome P450 3A4","Neuropeptide receptor","CMGC protein kinase ERK1","Cytochrome P450 family 2","Cytochrome P450 family 1","Glycohormone receptor","Cytochrome P450 family 2C","Cytochrome
 P450 family 1A","Cytochrome P450 2C19","Cytochrome P450 1A1"}

> <pathway_chembl>
{Transporters,Enzymes,Receptors,"ATP-binding cassette transporter family","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cytochrome P450","ABCB subfamily","CMGC: Containing CDK",MAPK,GSK3,"CLK 
families","Acetylcholine receptors (muscarinic)","CYP3 family","Neuropeptide S receptor","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily","Glycoprotein hormone receptors","CYP2 family
: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{"DNA Repair","Cell Cycle",Metabolism,"Immune System","Signal Transduction",Disease,"DNA Double-Strand Break Repair","Cell Cycle Checkpoints","Metabolism of lipids",Mitotic,"Biological oxidations","In
nate Immune System","Signaling by GPCR","Infectious disease","Homology Directed Repair","G1/S DNA Damage Checkpoints","Metabolism of steroids","M Phase","Phase I - Functionalization of compounds","Tol
l-like Receptor Cascades","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","HDR through Homologous Recombination (HRR) or Single Strand Annealin
g (SSA)","p53-Dependent G1/S DNA damage checkpoint","Bile acid and bile salt metabolism","Mitotic Metaphase and Anaphase","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsi
n-like receptors)","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","HDR through Homologous Recombination (HRR)","p53-Dependent G1 DNA Damage Response","Synthesis of bile a
cids and bile salts","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Amine ligand-binding receptors","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasi
te infection","Homologous DNA Pairing and Strand Exchange","Stabilization of p53","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","MAP kinase 
activation","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Presynaptic phase of homologous DNA pairing and strand e
xchange","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactiv
ated","Cytochrome P450 - arranged by substrate type",Xenobiotics,"CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{}

> <broad_moa>
{"anthelmintic agent"}

> <synonyms>
{RESTW26,cid_4891,cid4891,cid-4891,"cid 4891",Lopac0_000909,Lopac0000909,Lopac0-000909,"Lopac0 000909",Oprea1_163497,Oprea1163497,Oprea1-163497,"Oprea1 163497",praziquantel,55268-74-1,55268741,Biltric
ide,Droncit,Pyquiton,Cesol,"Embay 8440",Azinox,MLS000038419,"Praziquantel (Biltricide)",MFCD00058531,SMR000037139,"Cutter Tape Tabs",Praziquantelum,Distocide,Prazinon,DSSTox_CI,DSSToxCI,DSSTox-CI,"DSS
Tox CI",T1435,SAM002264632,1500494,Prestw-260,Praziquantel,CPD000037139,PRAZIQUANTEL}

> <pdid>
PD001793

> <targets>
{}

> <classes>
{anthelmintic}

> <pubchem_cids>
{4891}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
   -1.2144  -10.6204    0.0000 C   0  0
   -0.2327   -9.4862    0.0000 C   0  0
   -0.7235   -8.0679    0.0000 C   0  0
   -2.1965   -7.7844    0.0000 O   0  0
    0.2586   -6.9331    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0
   -1.1616   -2.6175    0.0000 O   0  0
   -2.1799   -3.7201    0.0000 C   0  0
   -1.7340   -5.1523    0.0000 O   0  0
   -3.6441   -3.3904    0.0000 C   0  0
   -4.6618   -4.4923    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.2703   -4.0021    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8141   -2.0807    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
  9 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  3
 27 28  1  0
 28 22  1  0
 28 29  1  0
 28 30  1  0
 30 19  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35  9  1  0
 35 18  1  0
 35 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12002

> <plate>
PLATE 014

> <well>
B2

> <supplier_cmpd_name>
Betamethasone dipropionate

> <ctcr_id>
4703

> <supplier_cmpd_id>
T1559

> <smiles>
CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C

> <pd_targets>
{CYP3A4,FTL,AMPC,ADGRG3,TIM23,NR3C1,MAPT}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor","Transcription factor","Cytochrome P450",Protease,Hydrolase,"Family B G protein-coupled receptor","Nuclear receptor","Cytochrome P450 family 3","Cyst
eine protease","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 3A","Cysteine protease CA clan","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 3A4","Cysteine protease C1
A family","Nuclear hormone receptor subfamily 3 group C member 1","Other cytosolic protein"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Nuclear hormone receptors","CYP3 family","Adhesion Class GPCRs","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{Metabolism,"Vesicle-mediated transport","Immune System","Gene expression (Transcription)","Metabolism of lipids","Membrane Trafficking","Innate Immune System","RNA Polymerase II Transcription","Biosy
nthesis of specialized proresolving mediators (SPMs)","trans-Golgi Network Vesicle Budding","Neutrophil degranulation","Generic Transcription Pathway","Biosynthesis of DHA-derived SPMs","Golgi Associa
ted Vesicle Biogenesis","FOXO-mediated transcription","Biosynthesis of maresins","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Biosynthesis of maresin-like SPMs","N
euronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor act
ivation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"anti-inflammatory agent"}

> <synonyms>
{"BETAMETHASONE DIPROPIONATE",5593-20-4,5593204,"PUMICE STONE",CHEMBL1449610,STL451053,AKOS037482518,MCULE-9093329990,MCULE9093329990,AS-13826,AS13826,FT-0603675,FT0603675,FT-0666302,FT0666302,J10388,
S1688,"Betamethasone Dipropionate"}

> <pdid>
PD001048

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{546807}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 N   0  3
    0.0007    0.0004    0.0000 O   0  5
    2.5993    0.0004    0.0000 O   0  0
   17.8534   -2.6232    0.0000 Cl  0  0
   16.5544   -1.8732    0.0000 C   0  0
   16.5544   -0.3732    0.0000 C   0  0
   15.2554    0.3768    0.0000 C   0  0
   13.9563   -0.3732    0.0000 C   0  0
   12.6550    0.3745    0.0000 C   0  0
   11.3563   -0.3777    0.0000 C   0  0
   10.0550    0.3700    0.0000 C   0  0
    8.7564   -0.3823    0.0000 C   0  0
    8.7576   -1.8831    0.0000 N   0  0
    7.5465   -2.7464    0.0000 C   0  0
    8.0141   -4.1716    0.0000 C   0  0
    9.5141   -4.1673    0.0000 N   0  0
    9.9735   -2.7395    0.0000 C   0  0
   10.0493    1.8708    0.0000 S   0  0
    8.7472    2.6171    0.0000 C   0  0
    8.7393    4.1171    0.0000 C   0  0
   10.0344    4.8739    0.0000 Cl  0  0
    7.4364    4.8604    0.0000 C   0  0
    6.1413    4.1036    0.0000 C   0  0
    6.1491    2.6036    0.0000 C   0  0
    7.4520    1.8604    0.0000 C   0  0
    7.4598    0.3604    0.0000 Cl  0  0
   13.9563   -1.8732    0.0000 C   0  0
   15.2554   -2.6232    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 14  1  0
 12 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 20  1  0
 26 27  1  0
  9 28  1  0
 28 29  2  0
 29  6  1  0
M  CHG  2   2   1   3  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12003

> <plate>
PLATE 014

> <well>
B3

> <supplier_cmpd_name>
Butoconazole nitrate

> <ctcr_id>
2471

> <supplier_cmpd_id>
T1438

> <smiles>
O[N+]([O-])=O.Clc1ccc(CCC(Cn2ccnc2)Sc3c(Cl)cccc3Cl)cc1

> <pd_targets>
{L3MBTL1,AMPC,ERG11}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Hydrolase,"Cytochrome P450","Methyl-lysine/arginine binding protein","Cytochrome P450 family 51","MBT domain","Cytochrome P450 family 51A","Cytochrome P450 51A1"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{RESTW40,"BUTOCONAZOLE NITRATE",64872-77-1,64872771,Femstat,Gynomyk,Gynazole-1,Gynazole1,RS-35887,RS35887,"Butoconazole (nitrate)","Butaconazole nitrate",CHEBI:3241,Mycelex-3,Mycelex3,RS-35887-00-10-3
,RS3588700103,Exelgyn,"Femstat One",1-(4-(4-chlorophenyl)-2-(2,1(4(4chlorophenyl)2(2,6-dichlorophenyl)sulfanylbutyl)imidazo,6dichlorophenyl)sulfanylbutyl)imidazo,T1438,Prestw-408,"Butoconazole nitrate
"}

> <pdid>
PD001266

> <targets>
{Fungal}

> <classes>
{Anti-infection}

> <pubchem_cids>
{47471}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 34  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.5133   -2.9102    0.0000 C   0  0
    1.9910   -3.1685    0.0000 C   0  0
    2.5062   -4.5772    0.0000 C   0  0
    1.5439   -5.7278    0.0000 C   0  0
    0.0662   -5.4697    0.0000 C   0  0
   -0.4490   -4.0609    0.0000 C   0  0
   -1.9280   -3.8058    0.0000 C   0  0
   -2.8892   -4.9584    0.0000 C   0  0
   -4.3682   -4.7033    0.0000 C   0  0
   -4.8860   -3.2955    0.0000 O   0  0
   -5.3294   -5.8559    0.0000 O   0  0
   -6.8083   -5.6007    0.0000 C   0  0
   -7.7690   -6.7527    0.0000 C   0  0
   -8.2864   -5.3450    0.0000 C   0  0
   -7.3261   -4.1929    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5937   -3.0031    0.0000 O   0  0
   -3.8990   -0.7562    0.0000 O   0  0
   -3.9040    0.7446    0.0000 C   0  0
   -5.2051    1.4911    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12  6  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 11 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 10 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12004

> <plate>
PLATE 014

> <well>
B4

> <supplier_cmpd_name>
Lacidipine

> <ctcr_id>
708

> <supplier_cmpd_id>
T1439

> <smiles>
CCOC(=O)C1=C(C)NC(=C(C1c2ccccc2\C=C\C(=O)OC(C)(C)C)C(=O)OCC)C

> <pd_targets>
{AR,CYP2C9,DRD3,TBXAS1,ADORA3,SLC6A2,CYP2C19,CYP3A4,CACNA1A,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,LMNA,HTT,RORC}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Membrane receptor",Transporter,"Other nuclear protein","Unclassified protein","Nuclear receptor","Cytochrome P450","Family A G protein-coupled receptor","Electrochemica
l transporter","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Cytochrome P450 family 5","SLC superfamily of solute carriers","Cytochrome P
450 family 3","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 family 2C","Monoamine receptor","Cytochrome P450 family 5A","Nucleotide-like recept
or (family A GPCR)","SLC06 neurotransmitter transporter family","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 3 group C member 4","Cyto
chrome P450 2C9","Dopamine receptor","Cytochrome P450 5A1","Adenosine receptor","Cytochrome P450 2C19","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Steroid hormone receptors","CYP2 family: drug metaboli
sing subset","Dopamine receptors",CYP5,"CYP7 and CYP8 families","Adenosine receptors","SLC6 neurotransmitter transporter family","CYP3 family","1F. Retinoic acid-related orphans","3C. 3-Ketosteroid re
ceptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Signal Transduction",Disease,"Cell Cycle","RNA Polymerase II Transcription","Biological oxidations","Signaling by GPCR","Disorders of transmembrane trans
porters","Metabolism of lipids",Mitotic,"Generic Transcription Pathway","Phase I - Functionalization of compounds","GPCR ligand binding","SLC transporter disorders","Biosynthesis of specialized prores
olving mediators (SPMs)","M Phase","Transcriptional regulation by RUNX2","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic into
lerance (OI)","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","RUNX2 regulates bone development",Xenobio
tics,"Amine ligand-binding receptors",Eicosanoids,"Nucleotide-like (purinergic) receptors","Biosynthesis of maresins","Mitotic Anaphase","Regulation of MECP2 expression and activity","RUNX3 Regulates 
Immune Response and Cell Migration","RUNX2 regulates osteoblast differentiation","CYP2E1 reactions","Dopamine receptors","Adenosine P1 receptors","Biosynthesis of maresin-like SPMs","Nuclear Envelope 
(NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CACNA1C}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{Lacidipine,103890-78-4,103890784,Lacipil,Motens,GR-43659X,GR43659X,"GR 43659X","Lacidipine (Lacipil, Motens)",UNII-260080034N,UNII260080034N,C26H33NO6,Lacimen,DSSTox_CID_26429,DSSToxCID26429,DSSTox-C
ID-26429,"DSSTox CID 26429",DSSTox_RID_81607,DSSToxRID81607,DSSTox-RID-81607,"DSSTox RID 81607",DSSTox_GSID_46429,DSSToxGSID46429,DSSTox-GSID-46429,"DSSTox GSID 46429",260080034N,"Lacidipinum (Latin)"
,"Lacidipino (Spanish)",Lacidipino,T1439,Prestw-1297}

> <pdid>
PD008990

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5311217}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 26  0  0  0  0            999 V2000
   12.7933   -1.1283    0.0000 O   0  0
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -7.7942    1.4999    0.0000 N   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.6933    0.7467    0.0000 C   0  0
    7.6933   -0.7533    0.0000 C   0  0
    6.3940   -1.5029    0.0000 O   0  0
    8.9933   -1.5033    0.0000 C   0  0
    8.9933   -3.0033    0.0000 O   0  0
   10.2926   -0.7537    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 10  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19  8  1  0
 19 20  2  0
 20  5  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12005

> <plate>
PLATE 014

> <well>
B5

> <supplier_cmpd_name>
Ethacridine lactate monohydrate

> <ctcr_id>
4627

> <supplier_cmpd_id>
T1440

> <smiles>
O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1.CC(O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{s4196,6284AF,ANW-43669,ANW43669,6402-23-9,6402239,"Ethacridine lactate monohydrate","Ethacridine lactate hydrate","Rivanol monohydrate",Ethodin,"Ethacridine (lactate monohydrate)","Acrinol Monohydrat
e","Ethacridine lactate salt",7-Ethoxyacridine-3,7Ethoxyacridine3,"9-diamine 2-hydro","9diamine 2hydro",T1440,S4196}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{43833351,165457,88344826}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
    7.5844   -1.4920    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    0.2015    3.2154    0.0000 S   0  0
    1.6774    3.4832    0.0000 C   0  0
    2.3882    2.1623    0.0000 C   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  6  1  0
 16 11  1  0
  8 17  1  0
 17 18  1  0
 18 19  2  0
 19  7  1  0
  5 20  1  0
 20 21  1  0
 21  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12006

> <plate>
PLATE 014

> <well>
B6

> <supplier_cmpd_name>
Pizotifen

> <ctcr_id>
11092

> <supplier_cmpd_id>
T1442

> <smiles>
CN1CCC(=C2c3c(CCc4ccccc24)scc3)CC1

> <pd_targets>
{MAPT,MAPK1,KMT2A,MEN1,HTR1A,DRD2,ADRA1A,ADRA1B,ADRA1D,LMNA,HTR2B,CHRM1,HTR2C,HTR2A,HTR7,CHRM2,CHRM3,HTR1B,HTR1D,HRH1,ADRA2A,ADRA2B,ADRA2C}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Epigenetic regulator","Membrane receptor","Other nuclear protein",Kinase,Reader,"Family A G protein-coupled receptor","Protein Kinase",Bromodomain,"Small molecule re
ceptor (family A GPCR)","CMGC protein kinase group","Monoamine receptor","CMGC protein kinase MAPK family","Serotonin receptor","Dopamine receptor","Adrenergic receptor","Acetylcholine receptor","Hist
amine receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","G protein-coupled receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors","Dopamine receptors","Acetylcholine receptors (m
uscarinic)","Histamine receptors",Adrenoceptors,"Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Immune System","Signal Transduction","Cell Cycle",Disease,"Transmission across Chemical Synapses","Innate Immune System","Signaling by GPCR",Mitotic,"Infectious disease","Neurotran
smitter receptors and postsynaptic signal transmission","Toll-like Receptor Cascades","GPCR ligand binding","M Phase","Leishmania infection","Activation of NMDA receptors and postsynaptic events","Tol
l Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Post NMDA receptor activation events","MyD88 cascad
e initiated on plasma membrane","Amine ligand-binding receptors","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Activation of AMPK downstream of NMDARs","MAP 
kinase activation","Serotonin receptors","Dopamine receptors","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Histami
ne receptors",Adrenoceptors,"MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{HTR1A,HTR2A,HTR2C}

> <broad_moa>
{"serotonin receptor antagonist"}

> <synonyms>
{Pizotifen,PIZOTYLINE,15574-96-6,15574966,"15574 96 6",Sandomigran,Litec,Sandomygran,Pizotifenum,Pizotifene,Pizotifeno,"BC 105",BC-105,BC105,"Pizotyline (USAN)",Pizotifan,UNII-0BY8440V3N,UNII0BY8440V3
N,"UNII 0BY8440V3N",CHEBI:50212,0BY8440V3N,Pi,T1442}

> <pdid>
PD012413

> <targets>
{5-HT}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{27400}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    1.1700    0.0900    0.0000 C   0  0
    0.0400   -1.0200    0.0000 C   0  0
   -1.0400   -0.3900    0.0000 C   0  0
   -2.1100   -0.8400    0.0000 C   0  0
   -1.3200    0.0900    0.0000 C   0  0
    0.0000   -0.6200    0.0000 C   0  0
   -1.3200    1.5200    0.0000 C   0  0
    0.0000    2.2400    0.0000 C   0  0
    1.1700    1.5200    0.0000 C   0  0
   -1.0400    1.1000    0.0000 C   0  0
   -2.7075    0.6600    0.0000 N   0  0
   -1.3177   -1.8641    0.0000 C   0  0
    2.4768   -0.6464    0.0000 C   0  0
    4.9300    0.2350    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9  1  1  0
  8 10  1  0
 10  3  1  0
  5 11  1  0
  3 12  1  0
  1 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12007

> <plate>
PLATE 014

> <well>
B7

> <supplier_cmpd_name>
Memantine hydrochloride

> <ctcr_id>
11093

> <supplier_cmpd_id>
T1443

> <smiles>
C12(CC3(CC(C1)(CC(C2)C3)N)C)C.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"glutamate receptor antagonist"}

> <synonyms>
{"MEMANTINE HYDROCHLORIDE",41100-52-1,41100521,"Memantine HCL","3,5-Dimethyl-1-adamantanamine hydrochloride","3,5Dimethyl1adamantanamine hydrochloride","3,5-dimethyladamantan-1-amine hydrochloride","3
,5dimethyladamantan1amine hydrochloride",Namenda,Akatinol,Axura,"Namenda XR",memantine.HCl,"Memantine (hydrochloride)",1-Ami,1Ami,T1443,"Memantine hydrochloride"}

> <pdid>
PD009581

> <targets>
{AMPA,"NMDA receptor","Kainate receptor"}

> <classes>
{Neuroscience,Others}

> <pubchem_cids>
{181458}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  0  0            999 V2000
    8.8990   -2.2487    0.0000 H   0  3
    6.3990   -2.2487    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 F   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 N   0  0
    0.0036   -7.4988    0.0000 C   0  0
    1.3038   -8.2467    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  8 10  2  0
  7 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 18  1  0
 17 25  1  0
 25 26  1  0
 25 27  2  0
 27  5  1  0
 27 13  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12008

> <plate>
PLATE 014

> <well>
B8

> <supplier_cmpd_name>
Lomefloxacin

> <ctcr_id>
314

> <supplier_cmpd_id>
T1444

> <smiles>
[H+].[Cl-].CCN1C=C(C(O)=O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12

> <pd_targets>
{KDM4E,ALDH1A1,HSD17B10,HPGD,NFO,PMP22,PARC,GYRA,TOP2A,GYRB,CHRM1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Unclassified protein","Membrane receptor",Eraser,Oxidoreductase,Hydrolase,Isomerase,"Family A G protein-coupled receptor","Lysine demethylase","Small molecule receptor 
(family A GPCR)","Jumonji domain-containing","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Eicosanoid turnover","DNA topoisomerases","G protein-coupled receptors","1.14.11.- Histone demethylases","Prostaglandin synthases","Acetylcholine rece
ptors (muscarinic)"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Cell Cycle","Signal Transduction","Biological oxidations","Metabolism of amino acids and derivatives","Metabolism of lipids","Nervous system development",Mitotic,"
Signaling by GPCR","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","EGR2 and SOX10-mediated initiation of 
Schwann cell myelination","Mitotic G1 phase and G1/S transition","GPCR ligand binding","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","G0 and Early G1","Class A/1 (Rhodopsin-like receptors)","
Biosynthesis of D-series resolvins","Transcription of E2F targets under negative control by DREAM complex","Amine ligand-binding receptors","Muscarinic acetylcholine receptors"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{"Lomefloxacin hydrochloride",98079-52-8,98079528,Maxaquin,"Lomefloxacin HCl",Okacyn,Bareon,Uniquin,Ny-198,Ny198,SC-47111,SC47111,"Lomefloxacin (hydrochloride)",MFCD00214312,CHEBI:6518,"Lomefloxacin h
ydrochloride (Maxaquin)",Mazaquin,DSSTox_CID_25527,DSSToxCID25527,DSSTox-CID-25527,"DSSTox CID 25527",T1625,T1444,1502037,Prestw-238,Lomefloxacin,"LOMEFLOXACIN HYDROCHLORIDE"}

> <pdid>
PD009609

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{68624,57516048}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6011   -3.0008    0.0000 C   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -3.9050   -5.2502    0.0000 N   0  0
   -5.2059   -5.9988    0.0000 C   0  0
   -6.5036   -5.2465    0.0000 C   0  0
   -5.2089   -7.4988    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 10 17  1  0
 17  6  1  0
 17 18  2  0
 18  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12009

> <plate>
PLATE 014

> <well>
B9

> <supplier_cmpd_name>
Agomelatine

> <ctcr_id>
320

> <supplier_cmpd_id>
T1445

> <smiles>
COc1ccc2cccc(CCNC(C)=O)c2c1

> <pd_targets>
{MTNR1A,MTNR1B,HTR2B,HTR2C,HTR2A}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine-derivative receptor (family A GPCR)","Monoamine receptor","Melatonin receptor","Serotoni
n receptor"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","G protein-coupled receptors","Receptor guanylyl cyclase (RGC) family","Melatonin receptors","5-Hydroxytryptamine receptors","Nitric oxide (NO)-sensitive (soluble) gua
nylyl cyclase"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","GPCR ligand binding","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","S
erotonin receptors"}

> <broad_targets>
{HTR2A,HTR2B,HTR2C,MTNR1A,MTNR1B}

> <broad_moa>
{"melatonin receptor agonist","serotonin receptor antagonist"}

> <synonyms>
{Agomelatine,138112-76-2,138112762,Valdoxan,Thymanax,N-(2-(7-Methoxynaphthalen-1-yl)ethyl)acetamide,N(2(7Methoxynaphthalen1yl)ethyl)acetamide,N-(2-(7-methoxynaphthalen-1-yl)ethyl)acetamide,N(2(7methox
ynaphthalen1yl)ethyl)acetamide,S20098,Melitor,S-20098,AGO-178,AGO178,"Acetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-","Acetamide, N(2(7methoxy1naphthalenyl)ethyl)","S 20098",N-(2-(7-Methoxyna,N(2(7
Methoxyna,T1445,S1243}

> <pdid>
PD009296

> <targets>
{"5-HT Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{82148}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 26  0  0  0  0            999 V2000
   10.1943   -0.3779    0.0000 H   0  3
    7.6943   -0.3779    0.0000 Cl  0  5
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 O   0  0
   -1.3070    5.2502    0.0000 N   0  0
   -2.6071    5.9984    0.0000 C   0  0
   -0.0093    6.0025    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 N   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1887   -6.0105    0.0000 C   0  0
   -3.8883   -6.7578    0.0000 C   0  0
   -2.5908   -6.0056    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 11 18  2  0
 18 19  1  0
 19 20  2  0
 20  9  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12010

> <plate>
PLATE 014

> <well>
B10

> <supplier_cmpd_name>
Bambuterol hydrochloride

> <ctcr_id>
4789

> <supplier_cmpd_id>
T1446

> <smiles>
[H+].[Cl-].CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C

> <pd_targets>
{AMPC,BCHE,ACHE,CYP2D6,ADRB2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Hydrolase,"Cytochrome P450","Family A G protein-coupled receptor","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2D","Monoamin
e receptor","Cytochrome P450 2D6","Adrenergic receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Acetylcholine turnover","Cytochrome P450","G protein-coupled receptors","CYP2 family: drug metabolising subset",Adrenoceptors}

> <pathway_reactome>
{Metabolism,Disease,"Metabolism of lipids","Biological oxidations","Infectious disease","Phospholipid metabolism","Phase I - Functionalization of compounds","Leishmania infection","Glycerophospholipid
 biosynthesis","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Synthesis of PC",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infectio
n","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{ADRB2,BCHE}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{"BAMBUTEROL HYDROCHLORIDE",81732-46-9,81732469,"Bambuterol HCl","Bambuterol (hydrochloride)",CHEBI:59167,MFCD03427293,DSSTox_CID_25515,DSSToxCID25515,DSSTox-CID-25515,"DSSTox CID 25515",DSSTox_RID_80
925,DSSToxRID80925,DSSTox-RID-80925,"DSSTox RID 80925",DSSTox_GSID_45515,DSSToxGSID45515,DSSTox-GSID-45515,"DSSTox GSID 45515","Bambuterol-d9 Hydrochloride","Bambuterold9 Hydrochloride","(+/-)-Bambute
rol hydrochloride;KWD-2183 hydrochloride","(+/)Bambuterol hydrochloride;KWD2183 hydrochloride",Pr,T1446,S4277,1505173,Prestw-361,"Bambuterol hydrochloride"}

> <pdid>
PD009511

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"beta adrenergic agonist",bronchodilator,"cholinesterase inhibitor","GPCR & G Protein"}

> <pubchem_cids>
{54765,57515921}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.4470    5.2297    0.0000 S   0  0
   -2.9153    5.5365    0.0000 C   0  0
   -3.6607    4.2349    0.0000 C   0  0
   -2.6532    3.1236    0.0000 N   0  0
   -3.5322    6.9018    0.0000 C   0  0
   -2.6569    8.1199    0.0000 O   0  0
   -5.0256    7.0513    0.0000 N   0  0
   -5.6437    8.4190    0.0000 C   0  0
   -7.1360    8.5706    0.0000 C   0  0
   -8.0134    7.3540    0.0000 C   0  0
   -7.7509    9.9388    0.0000 C   0  0
   -6.8735   11.1554    0.0000 C   0  0
   -5.3812   11.0039    0.0000 C   0  0
   -4.7663    9.6357    0.0000 C   0  0
   -3.2739    9.4842    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 N   0  0
   -6.4915   -3.7597    0.0000 C   0  0
   -6.4870   -5.2605    0.0000 C   0  0
   -7.7833   -6.0153    0.0000 O   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  2  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
  4 22  2  0
 22 23  1  0
 23 24  2  0
 24  2  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 28 32  1  0
 32 33  1  0
 33 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12011

> <plate>
PLATE 014

> <well>
B11

> <supplier_cmpd_name>
Dasatinib

> <ctcr_id>
6468

> <supplier_cmpd_id>
T1448

> <smiles>
Cc1nc(Nc2sc(cn2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4

> <pd_targets>
{EPHB6,ERBB4,LCK,SRC,ABL1,BCR,BTK,EPHA2,CSK,CSNK1E,EPHB1,EPHB4,TUBA1A,RAF1,RET,RIPK2,PDGFRA,MAP4K3,BLK,MAP4K4,BMX,MAP4K2,TESK1,EPHA1,EGFR,ERBB2,FGFR1,KIT,TYK2,BMPR1B,PLK4,LIMK1,LIMK2,MAP2K1,SIK2,ACVR2
A,GAK,DDR2,IRAK4,ACVRL1,COQ8A,TAOK2,TAOK3,CDPK1,DYRK3,MAPK14,MAP4K1,PDGFRB,SLK,HTR2A,BRAF,FGR,FGFR2,NLK,FLT3,KCNH2,NORA,EPHB3,WEE2,JAK2,STK4,STK10,DDR1,STK36,EPHA8,FLT1,SBK1,TNIK,TXK,EPHB2,MINK1,MAPK1
1,ACVR1B,ACVR1,MAP4K5,TEC,DMPK,REP,KDR,FRK,WEE1,MAP3K20,TGFBR1,PTK6,SIK3,YES1,MAP3K19,MAP3K7,NEK11,MAPK12,MAPK13,HCK,JAK3,CDC42BPA,AURKA,FGFR3,MAP3K3,CYP3A4,STK26,ABL2,SIK1,SRMS,SYK,EIF2AK4,MAP3K13,PI
K3CA,PKMYT1,CSF1R,EPHA4,STK25,LYN,MAP2K2,CDC42BPB,TGFBR2,CDC42BPG,ACVR2B,EPHA6,MAP2K5,TNK2,PIK3CD,MTOR,MAP3K4,ULK3,ERBB3,MYLK2,FYN,TNNI3K,TAOK1,EPHA5,NEK2,AXL,VRK2,HTT,AURKB,EPHA3,PKN2,FES,STK35,MAP3K
10,BMPR1A,MAP3K2,ITK,ABCB11,MYT1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,ABCC4,SCN5A,STAT5B}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Structural protein","Membrane receptor","Ion channel",Transporter,"Transcription factor",Kinase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Cytoc
hrome P450",Transferase,"Primary active transporter","Protein Kinase","Small molecule receptor (family A GPCR)","Potassium channels","Cytochrome P450 family 3","ATP-binding cassette","Voltage-gated ca
lcium channel","Voltage-gated sodium channel","TK protein kinase group","Atypical protein kinase group","CK1 protein kinase group","TKL protein kinase group","STE protein kinase group","Other protein 
kinase group","CAMK protein kinase group","CMGC protein kinase group","Monoamine receptor","Voltage-gated potassium channel","AGC protein kinase group","Cytochrome P450 family 3A","ABCB subfamily","AB
CC subfamily","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Atypical protein kinase BCR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Tec family",
"Tyrosine protein kinase Eph family","Tyrosine protein kinase Csk family","CK1 protein kinase CK1 family","TKL protein kinase RAF family","Tyrosine protein kinase Ret family","TKL protein kinase RIPK 
family","Tyrosine protein kinase PDGFR family","STE protein kinase STE20 family","TKL protein kinase LISK family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase JakA family","TKL prote
in kinase STKR family","Other protein kinase PLK family","STE protein kinase STE7 family","CAMK protein kinase CAMK1 family","Other protein kinase NAK family","Tyrosine protein kinase DDR family","TKL
 protein kinase IRAK family","CMGC protein kinase DYRK family","CMGC protein kinase MAPK family","Serotonin receptor","Other protein kinase WEE family","Other protein kinase ULK family","Tyrosine prot
ein kinase VEGFR family","Other protein kinase NKF1 family","AGC protein kinase DMPK family","TKL protein kinase MLK family","STE protein kinase STE11 family","Other protein kinase NEK family","Other 
protein kinase AUR family","Cytochrome P450 3A4","Tyrosine protein kinase Syk family","Other protein kinase PEK family","Tyrosine protein kinase Ack family","Atypical protein kinase PIKK family","CAMK
 protein kinase MLCK family","Tyrosine protein kinase Axl family","AGC protein kinase PKN family","Tyrosine protein kinase Fer family","Other protein kinase NKF4 family","STE protein kinase KHS subfam
ily","STE protein kinase MSN subfamily","TKL protein kinase TESK subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase QIK subfamily","TKL prot
ein kinase STKR Type 2 subfamily","STE protein kinase TAO subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase p38 subfamily","STE protein kinase SLK subfamily","CMGC protein kinase n
mo subfamily","Other protein kinase WEE1","STE protein kinase MST subfamily","TKL protein kinase STKR1","AGC protein kinase GEK subfamily","TKL protein kinase MLK subfamily","TKL protein kinase TAK1 s
ubfamily","Other protein kinase Nek11","STE protein kinase MEKK2","STE protein kinase YSK subfamily","Tyrosine protein kinase Srm","Other protein kinase GCN2 subfamily","TKL protein kinase LZK subfami
ly","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA","TKL protein kinase HH498 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Ion channels",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)",Tubulins,"G protein-coupled receptors","Voltage-gated ion channels","Anti-infective 
targets","Cytochrome P450","ATP-binding cassette transporter family","Receptor kinases","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmo
dulin-dependent protein kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors","Potassium channels","AGC: Containing PKA",PKG,"PKC families","Viral protein t
argets","CYP3 family","Lipid modifying kinases","ABCB subfamily","ABCC subfamily","Voltage-gated sodium channels","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","TKL: Tyrosine kinase-like","STE2
0 family","Other protein kinases","STE7 family","CAMK-like (CAMKL) family","ABC1 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Mitogen-activated protein kinas
es (MAP kinases)","Voltage-gated potassium channels","DMPK family","Coronavirus (CoV) proteins","STE11 family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-
related kinases (PIKK) family","Myosin Light Chain Kinase (MLCK) family","Vaccina related kinase (VRK) family","Protein kinase N (PKN) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine
 kinases (nRTKs)","RAF family","Receptor interacting protein kinase (RIPK) family","KHS subfamily","MSN subfamily","LIM domain kinase (LISK) family","Receptor serine/threonine kinase (RSTK) family","P
olo-like kinase (PLK) family","QIK subfamily","Numb-associated kinase (NAK) family","Interleukin-1 receptor-associated kinase (IRAK) family","ABC1-B subfamily","TAO subfamily","Dyrk2 subfamily","p38 s
ubfamily","SLK subfamily","nmo subfamily","WEE family","MST subfamily","Unc-51-like kinase (ULK) family","NKF1 family","GEK subfamily","Mixed Lineage Kinase (MLK) family","STE20 subfamily","NIMA (neve
r in mitosis gene a)- related kinase (NEK) family","Aurora kinase (Aur) family","YSK subfamily","PEK family","FRAP subfamily","NKF4 family","Type XIII RTKs: Ephrin receptor family","Type I RTKs: ErbB 
(epidermal growth factor) receptor family","Src family","Abl family","Tec family","Csk family","Type XIV RTKs: RET","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","TESK subfamily","Type V RTKs
: FGF (fibroblast growth factor) receptor family","Janus kinase (JakA) family","Type I receptor serine/threonine kinases","LIMK subfamily","Type II receptor serine/threonine kinases","Type XVI RTKs: D
DR (collagen receptor) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","MLK subfamily","TAK1 subfamily","Syk family","GCN2 subfamily","LZK subfamily","Ack family","HH
498 subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Fer family"}

> <pathway_reactome>
{"Developmental Biology","Neuronal System",Disease,"Signal Transduction","Cell Cycle","Immune System","Gene expression (Transcription)","Cellular responses to external stimuli",Metabolism,"Cell-Cell c
ommunication","Vesicle-mediated transport","Extracellular matrix organization","Muscle contraction","Programmed Cell Death","Circadian Clock",Hemostasis,"Nervous system development","Transmission acro
ss Chemical Synapses","Infectious disease","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"MAPK family signaling ca
scades","Innate Immune System","RNA Polymerase II Transcription","Cellular responses to stress","Metabolism of lipids","Cell junction organization","Signaling by GPCR","Cytokine Signaling in Immune sy
stem","Signaling by TGFB family members","Signaling by NODAL","Membrane Trafficking","Non-integrin membrane-ECM interactions","Intracellular signaling by second messengers","Signaling by WNT","Cardiac
 conduction","Signaling by Hippo","Cell Cycle Checkpoints",Apoptosis,"Signaling by Non-Receptor Tyrosine Kinases","Signaling by Hedgehog","Signaling by Rho GTPases","Adaptive Immune System","Platelet 
activation","signaling and aggregation","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","HIV Infection","Signaling by NTRKs","Leishmania infection","Oncogenic MAPK si
gnaling","Mitotic G2-G2/M phases","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","Signaling by PDGFR in disease","Generic Transcription Pathway","Cellular Senescence","Phospholipid metabolism",
"Cell-extracellular matrix interactions","GPCR downstream signalling","Signaling by FGFR in disease","Signaling by KIT in disease","Interferon Signaling","Signaling by BMP","Regulation of signaling by
 NODAL","trans-Golgi Network Vesicle Budding","PIP3 activates AKT signaling","GPCR ligand binding","Beta-catenin independent WNT signaling","Signaling by Insulin receptor","Phase 3 - rapid repolarisat
ion","Mitotic G1 phase and G1/S transition","Neutrophil degranulation","Signaling by VEGF","Fc epsilon receptor (FCERI) signaling","Signaling by Interleukins","Ion homeostasis","SARS-CoV Infections","
G2/M Checkpoints","Signaling by TGF-beta Receptor Complex in Cancer","Biosynthesis of specialized proresolving mediators (SPMs)","Apoptotic execution phase","Signaling by PTK6","Response of EIF2AK4 (G
CN2) to amino acid deficiency","Hedgehog 'on' state","M Phase","Regulation of mitotic cell cycle","RHO GTPase Effectors","TCR signaling","Metabolism of steroids","Response to elevated platelet cytosol
ic Ca2+","EPH-Ephrin signaling","Activation of NMDA receptors and postsynaptic events","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Parasite infection","Signaling by RAS mutants","G
2/M Transition","RAF/MAP kinase cascade","RET signaling","Toll Like Receptor 5 (TLR5) Cascade","Drug resistance of PDGFR mutants","Transcriptional regulation by RUNX1","Oxidative Stress Induced Senesc
ence","PI Metabolism","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","G alpha (q) signalling events","Semaphorin interactions","Signaling by FGFR1 in disease","Dr
ug resistance of KIT mutants","Interferon alpha/beta signaling","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 2 (TLR2) Cascade","Negative regulation of the PI3K/AKT network","Class A/1 (Rh
odopsin-like receptors)","Leishmania parasite growth and survival","Signaling by FGFR2 in disease","Ca2+ pathway","Insulin receptor signalling cascade","G1 Phase","VEGF ligand-receptor interactions","
FCERI mediated Ca+2 mobilization",Interleukin-3,"Interleukin-5 and GM-CSF signaling","SARS-CoV-1 Infection","VEGFA-VEGFR2 Pathway","PTEN Regulation","G2/M DNA damage checkpoint","Loss of Function of S
MAD2/3 in Cancer","Toll Like Receptor 4 (TLR4) Cascade","Interleukin-2 family signaling","Transcriptional Regulation by TP53","Signaling by FGFR3 in disease","Interleukin-1 family signaling","Biosynth
esis of DHA-derived SPMs","Apoptotic cleavage of cellular proteins","Signaling by ROBO receptors","PTK6 Down-Regulation","Transcriptional Regulation by VENTX","Mitotic Metaphase and Anaphase","APC/C-m
ediated degradation of cell cycle proteins","Transcriptional Regulation by MECP2","RHO GTPases activate PKNs","Generation of second messenger molecules","Bile acid and bile salt metabolism","Platelet 
degranulation","L1CAM interactions","EPHB-mediated forward signaling","Post NMDA receptor activation events","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","Leish
mania phagocytosis","EPHA-mediated growth cone collapse","Signaling downstream of RAS mutants","Centrosome maturation","Negative regulation of MAPK pathway","MyD88 cascade initiated on plasma membrane
","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Synthesis of PIPs at the plasma membrane","Gastrin-CREB signalling pathway via PKC and MAPK","S
ema4D in semaphorin signaling","FGFR1 mutant receptor activation","Dasatinib-resistant KIT mutants","Regulation of IFNA signaling","Toll Like Receptor TLR6:TLR2 Cascade",PI5P,"PP2A and IER3 Regulate P
I3K/AKT Signaling","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","FGFR2 mutant receptor activation","IRS-mediated signalling","Cyclin D associat
ed events in G1","VEGF binds to VEGFR leading to receptor dimerization","SARS-CoV-1 Genome Replication and Transcription","VEGFR2 mediated cell proliferation","Regulation of PTEN stability and activit
y","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","SMAD2/3 Phosphorylation Motif Mutants in Cancer","MyD88-independent TLR4 cascade","Interleukin-15 signaling","Regulation of TP53 Ac
tivity","Signaling by FGFR3 point mutants in cancer","Interleukin-1 signaling","Biosynthesis of maresins","Role of ABL in ROBO-SLIT signaling","Cyclin A/B1/B2 associated events during G2/M transition"
,"Signalling to ERK5","Interleukin receptor SHC signaling","Mitotic Anaphase","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of MECP2 expression and activit
y","CRMPs in Sema3A signaling","Synthesis of bile acids and bile salts","Interaction between L1 and Ankyrins","Long-term potentiation","Nef-mediates down modulation of cell surface receptors by recrui
ting them to clathrin adapters","Signalling to RAS","FCGR3A-mediated phagocytosis","Loss of proteins required for interphase microtubule organization from the centrosome","Negative feedback regulation
 of MAPK pathway","MAP kinase activation","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Signaling by activated point mutants of FGFR1","Prolonged ERK acti
vation events","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Serotonin receptors","FCGR3A-mediated IL10 synthesis","Activated point mutants of FGFR2","PI3K Cascade","Replication of the SARS
-CoV-1 genome","TRIF(TICAM1)-mediated TLR4 signaling","Nef and signal transduction","Regulation of TP53 Activity through Phosphorylation","FGFR3 mutant receptor activation","Biosynthesis of maresin-li
ke SPMs","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Separation of Sister Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Nuclear
 Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nef Mediated CD4 Down-regulation","p38MAPK events","Loss of Nlp from mitotic centrosomes","activated 
TAK1 mediates p38 MAPK activation","Frs2-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","TRAF6-mediated induction of TAK1 complex within TLR4 co
mplex","Signaling by activated point mutants of FGFR3","Regulation of TP53 Degradation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Initi
ation of Nuclear Envelope (NE) Reformation","Activation of the AP-1 family of transcription factors","APC-Cdc20 mediated degradation of Nek2A"}

> <broad_targets>
{ABL1,ABL2,BLK,EPHA2,FGR,FRK,FYN,HCK,KIT,LCK,LYN,PDGFRB,SRC,SRMS,STAT5B,YES1}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","ephrin inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","SRC inhibitor","tyrosine kinase inhibitor"}

> <synonyms>
{Dasatinib,302962-49-8,302962498,Sprycel,BMS-354825,BMS354825,"BMS 354825","Dasatinib anhydrous","Dasatinib (anhydrous)","Dasatinib (BMS-354825)","Dasatinib (BMS354825)","anh. dasatinib",UNII-X78UG0A0
RN,UNIIX78UG0A0RN,"anhydrous dasatinib","dasatinib (anh.)",CHEMBL1421,X78UG0A0RN,CHEBI:49375,NSC732,T1448,T1448L,732517,S1021,"NSC 732517","Dasatinib monohydrate",dasatinib,DASATINIB}

> <pdid>
PD003446

> <targets>
{Abl/Src,c-Kit,Bcr-Abl,Src-bcr-Abl,SRC,Src,ABL,PDGFR,Apoptosis,Autophagy}

> <classes>
{BCR/ABL/Src inhibitor,Angiogenesis,Apoptosis,Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{3062316}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 S   0  0
    1.2810    2.2196    0.0000 O   0  0
   -0.0353    4.4996    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 12 14  2  0
  8 15  1  0
 15 16  2  0
 16  5  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12012

> <plate>
PLATE 014

> <well>
C2

> <supplier_cmpd_name>
Hydrochlorothiazide

> <ctcr_id>
3072

> <supplier_cmpd_id>
T1449

> <smiles>
N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl

> <pd_targets>
{CA14,CA4,CA13,CA7,CA5A,CA2,CA1,THRB,LMNA,CA12,1272966,CA9,CA5B,CA6,PMP22,APEX1,SLC12A3,KCNMA1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other nuclear protein","Unclassified protein",Transporter,"Ion channel",Lyase,"Nuclear receptor","Electrochemical transporter","Voltage-gated ion channel","Nuclear horm
one receptor subfamily 1","SLC superfamily of solute carriers","Potassium channels","Nuclear hormone receptor subfamily 1 group A","SLC12 family of cation-coupled chloride transporters","Calcium-activ
ated potassium channel","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Carbonic anhydrases","Nuclear hormone receptors","SLC superfamily of solute carriers","Voltage-gated ion channels","1A. Thyroid hormone receptors","SLC1
2 family of cation-coupled chloride transporters","Potassium channels","Calcium- and sodium-activated potassium channels"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Immune System","Metabolism of proteins","Cell Cycle","Cellular responses to external stimuli","Developmental Biology","DNA Repair",Disease,Hemostasis,"Rever
sible hydration of carbon dioxide","O2/CO2 exchange in erythrocytes","Cytokine Signaling in Immune system","Post-translational protein modification",Mitotic,"Cellular responses to stress","Nervous sys
tem development","Base Excision Repair","Disorders of transmembrane transporters","Platelet homeostasis","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins",SUMOylatio
n,"M Phase","Cellular response to hypoxia","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Resolution of Abasic Sites (AP sites)","SLC transporter disorders","Nitric oxide stimulates
 guanylate cyclase","Interleukin-12 family signaling","SUMO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaphase","Regulation of gene expression by Hypoxia-inducible Factor","Resoluti
on of AP sites via the multiple-nucleotide patch replacement pathway","Defective SLC12A3 causes Gitelman syndrome (GS)","cGMP effects","Interleukin-12 signaling","SUMOylation of intracellular receptor
s","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Nuclear Envelope (NE) Reassembly","Initiati
on of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CA1,CA12,CA2,CA4,CA9,KCNMA1,SLC12A3}

> <broad_moa>
{"thiazide diuretic"}

> <synonyms>
{hydrochlorothiazide,58-93-5,58935,HCTZ,Esidrix,Hypothiazide,Oretic,Dichlotiazid,Hidrotiazida,Hydrochlorothiazid,Hydrochlorthiazide,Hydrodiuretic,Hydrosaluric,Servithiazid,Aquarills,Aquarius,Dichlotri
de,Diclotride,Disalunil,Hypothiazid,Idrotiazide,M,T1449,SAM002554901,1500335,Prestw-9,Hydrochlorothiazide,CPD000035778,HYDROCHLOROTHIAZIDE}

> <pdid>
PD002304

> <targets>
{Potassium Channel,TGF-beta/Smad}

> <classes>
{diuretic,Membrane Transporter/Ion Channel,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{3639}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0007    0.0000 N   0  0
   -1.3003    3.7529    0.0000 C   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -2.6029    6.0009    0.0000 N   0  0
   -2.6053    7.5009    0.0000 C   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -3.8983    3.7488    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 F   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 C   0  0
   -2.5936   -6.0031    0.0000 O   0  0
    0.0042   -5.9990    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13  7  1  0
  6 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22  2  1  0
 22 23  1  0
 23  5  1  0
 23 17  2  0
 20 24  1  0
 24 25  1  0
 24 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12013

> <plate>
PLATE 014

> <well>
C3

> <supplier_cmpd_name>
Levofloxacin Hemihydrate

> <ctcr_id>
3987

> <supplier_cmpd_id>
T1451

> <smiles>
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O

> <pd_targets>
{GYRA,POLB,SKA,KDM4E,RCE1,SLC47A1,PARC,PARE,GYRB,HSD17B10,ALDH1A1,HPGD,ALB,STE24,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,TOP2A,CHRM1
}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transporter,Isomerase,Kinase,Eraser,Protease,"Electrochemical transporter","Lysine demethylase","Metallo protease","SLC superfamily of solute carriers","Jumonji domain-c
ontaining","Metallo protease unclassified clan","SLC47 family of multidrug and toxin extrusion transporters","Metallo protease M79 family","Secreted protein","Ion channel",Oxidoreductase,"Ligand-gated
 ion channel","GABA-A receptor","Serine protease","Metallo protease MAE clan","Serine protease PA clan","Metallo protease M48A subfamily","Serine protease S1A subfamily","Membrane receptor","Family A 
G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Transporters,"Chromatin modifying enzymes","Peptidases and proteinases","SLC superfamily of solute carriers","1.14.11.- Histone demethylases","M-: Metallo (M) Peptidases","SLC47 family of mul
tidrug and toxin extrusion transporters","M79: Prenyl protease 2","Eicosanoid turnover","DNA topoisomerases","Prostaglandin synthases",Receptors,"G protein-coupled receptors","Acetylcholine receptors 
(muscarinic)"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction","Transport of small molecules","Base Excision Repair","MAPK family signaling cascades","SLC-mediated transmembrane transport","Resolution of Abasic Sites (AP sites)
","MAPK1/MAPK3 signaling","Transport of bile salts and organic acids","metal ions and amine compounds","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","RAF/MAP kinase ca
scade","PCNA-Dependent Long Patch Base Excision Repair","RAS processing",Metabolism,"Cell Cycle","Metabolism of amino acids and derivatives","Biological oxidations","Metabolism of lipids",Mitotic,"Bra
nched-chain amino acid catabolism","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Mitotic G1 phase and G1/S transition
","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","G0 and Early G1","Biosynthesis of D-series resolvins","Recycling of bile acids and salts","Transcription 
of E2F targets under negative control by DREAM complex","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine rece
ptors"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{S-(-)-Ofloxacin,S()Ofloxacin,"CCRIS 4074",LEVOFLOXACIN,100986-85-4,100986854,Levaquin,Quixin,Iquix,Cravit,(-)-Ofloxacin,()Ofloxacin,"Ofloxacin S-(-)-form","Ofloxacin S()form",Levofloxacine,(S)-Ofloxa
cin,(S)Ofloxacin,Tavanic,Levofloxacino,Levofloxacinum,Oftaquix,L-Ofloxacin,LOfloxacin,Floxacin,DR-3355,DR3355,"Levofloxacin hydra",T0902,T1451,SAM001246758,1504260,Ofloxacin,"Levofloxacin Hemihydrate"
,CPD000466387}

> <pdid>
PD001207

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{149096,6956357}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    7.7947   -3.0293    0.0000 C   0  0
    6.4915   -3.7721    0.0000 N   0  0
    5.1954   -3.0153    0.0000 C   0  0
    5.2033   -1.5153    0.0000 O   0  0
    3.8915   -3.7585    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5925    4.6865    0.0000 C   0  0
   -7.0558    6.1131    0.0000 C   0  0
   -6.0520    7.2277    0.0000 C   0  0
   -4.5848    6.9156    0.0000 C   0  0
   -4.1215    5.4889    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 15  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 16 28  2  0
 28 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12014

> <plate>
PLATE 014

> <well>
C4

> <supplier_cmpd_name>
Axitinib

> <ctcr_id>
4551

> <supplier_cmpd_id>
T1452

> <smiles>
CNC(=O)c1ccccc1Sc2ccc3c([nH]nc3C=Cc4ccccn4)c2

> <pd_targets>
{MARK2,MAP3K20,CDK2,FLT1,PDPK1,DCLK1,ALK,AXL,LCK,SRPK1,TYK2,PKN2,STK3,TBK1,CSNK2A1,PDGFRA,CAMK2D,NTRK2,MAP4K5,RET,PRKAA1,PDGFRB,IRAK1,PAK4,MAP4K2,TSSK1B,IKBKE,BRSK1,RPS6KA3,MAP4K4,MET,KIT,AURKA,BLK,MK
NK2,SLK,PLK4,PHKG2,LYN,FGFR1,CSF1R,MAPK14,LIMK1,ABL1,FLT4,FGFR3,MST1R,CAMK2G,RPS6KB1,LRRK2,ROCK2,KDR,AURKB,MARK3,MINK1,GAK,MAP3K4,FLT3,HUNK,AAK1,TNIK,GRK4,BMPR1B,DDR2,MAPK8,JAK3,EGFR,STK4,RIPK1,NUAK2,
YES1,TESK1,SRPK3,MAP3K9,ACVR2B,ULK2,BMP2K,MAP3K19,ANKK1,MYLK3,CAMKK2,RIPK2,EIF2AK2,MAP4K3,STK16,DDR1,CDKL2,AURKC,CSNK2A2,TIE1,CDK16,RIPK4,FGFR2,CDC42BPB,ABL2,JAK2,MYO3A,SIK1,RIOK3,MAP2K1,TTK,MAPK10,RO
S1,TNK1,MAP4K1,MAP2K2,RIOK1,MYLK2,MERTK,ULK3,TXK,MAP3K12,MAP2K5,STK10,MAP3K3,FGR,CSK,CAMKK1,EPHB6,NTRK1,TEK,ITK,TNK2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","CAMK protein kinase group","TKL protein kinase group","CMGC protein kinase group","TK protein kinase group","AGC protein kinase group","STE prot
ein kinase group","Other protein kinase group","Atypical protein kinase group","CAMK protein kinase CAMK1 family","TKL protein kinase MLK family","CMGC protein kinase CDK family","Tyrosine protein kin
ase VEGFR family","AGC protein kinase PDK1 subfamily","CAMK protein kinase DCAMK1 family","TKL protein kinase STKR family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Src family","CM
GC protein kinase SRPK family","Tyrosine protein kinase JakA family","AGC protein kinase PKN family","STE protein kinase STE20 family","Other protein kinase IKK family","Other protein kinase CK2 famil
y","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Ret family","TKL protein kinase IRAK family","CAMK protein ki
nase TSSK family","AGC protein kinase RSK family","Tyrosine protein kinase Met family","Other protein kinase AUR family","CAMK protein kinase MAPKAPK family","Other protein kinase PLK family","CAMK pr
otein kinase PHk family","Tyrosine protein kinase FGFR family","CMGC protein kinase MAPK family","TKL protein kinase LISK family","Tyrosine protein kinase Abl family","TKL protein kinase LRRK family",
"AGC protein kinase DMPK family","Other protein kinase NAK family","STE protein kinase STE11 family","AGC protein kinase GRK family","Tyrosine protein kinase DDR family","Tyrosine protein kinase EGFR 
family","TKL protein kinase RIPK family","Other protein kinase ULK family","CAMK protein kinase MLCK family","Other protein kinase CAMKK family","Other protein kinase PEK family","CMGC protein kinase 
CDKL family","Tyrosine protein kinase Tie family","Atypical protein kinase RIO family","STE protein kinase STE7 family","Other protein kinase TTK family","Tyrosine protein kinase Sev family","Tyrosine
 protein kinase Ack family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Csk family","CAMK protein kinase MARK subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase CDC2 
subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase MST subfamily","STE protein kinase KHS subfamily","CAMK protein kinase AMPK subfamily","STE protein kinase PAKB subfamily","CA
MK protein kinase BRSK subfamily","AGC protein kinase RSK subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MNK subfamily","STE protein kinase SLK subfamily","CMGC protein kinase p38 
subfamily","TKL protein kinase LIMK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase GRK subfamily","CMGC protein kinase JNK subfamily","CAMK prote
in kinase NuaK subfamily","TKL protein kinase TESK subfamily","TKL protein kinase STKR Type 2 subfamily","Other protein kinase Meta subfamily","Other protein kinase PKR","CMGC protein kinase TAIRE sub
family","AGC protein kinase GEK subfamily","STE protein kinase NinaC subfamily","CAMK protein kinase QIK subfamily","Atypical protein kinase RIO3 subfamily","Atypical protein kinase RIO1 subfamily","S
TE protein kinase MEKK2"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing
 PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Atypical,"CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","Cyclin-dependent kinase (CDK) family","TK
: Tyrosine kinase","PDK1 family","DCAMKL family","SRPK family","Protein kinase N (PKN) family","STE20 family","Other protein kinases","CAMK2 family","Testis specific kinase (TSSK) family","RSK family"
,"MAPK-Activated Protein Kinase (MAPKAPK) family","Phosphorylase kinase (PHK) family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","STE11 family","G protein-coupled receptor kinases
 (GRKs)","Myosin Light Chain Kinase (MLCK) family","Cyclin-dependent kinase-like (CDKL) family","RIO family","STE7 family","MARK subfamily","Mixed Lineage Kinase (MLK) family","CDK1 subfamily","Recept
or tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","MST subfamily","IKK family","Casein kinase 2 (CK2) family","KHS subfamily","AMPK subfamily","Interleukin-1 receptor-associated kina
se (IRAK) family","PAKB subfamily","BRSK subfamily","RSK subfamily","MSN subfamily","Aurora kinase (Aur) family","MKN subfamily","SLK subfamily","Polo-like kinase (PLK) family","p38 subfamily","LIM do
main kinase (LISK) family","p70 subfamily","Leucine-rich repeat kinase (LRRK) family","Rho kinase","Numb-associated kinase (NAK) family","HUNK subfamily","NAK family","GRK4 subfamily","Receptor serine
/threonine kinase (RSTK) family","JNK subfamily","Receptor interacting protein kinase (RIPK) family","NuaK subfamily","Unc-51-like kinase (ULK) family","STE20 subfamily","CAMKK family","PEK family","T
AIRE subfamily","GEK subfamily","NinaC subfamily","QIK subfamily","RIO3 subfamily","TTK family","RIO1 subfamily","MLK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor famil
y","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Src family","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR
,Kit,"FLT3 receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type V RTKs: FGF (fibroblast growth fa
ctor) receptor family","LIMK subfamily","Abl family","Type I receptor serine/threonine kinases","Type XVI RTKs: DDR (collagen receptor) family","Type I RTKs: ErbB (epidermal growth factor) receptor fa
mily","TESK subfamily","Type II receptor serine/threonine kinases","Meta subfamily","Other PEK family kinases","Type XII RTKs: TIE family of angiopoietin receptors","Type XVII RTKs: ROS receptors","Ac
k family","Tec family","LZK subfamily","Csk family","Type XIII RTKs: Ephrin receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction",Disease,"Immune System","Neuronal System","Developmental Biology","Cellular responses to external stimuli","Cell Cycle",Metabolism,"Vesicle-med
iated transport","Extracellular matrix organization","Cell-Cell communication","Circadian Clock","Metabolism of RNA",Hemostasis,"RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinase
s","Infectious disease","Cytokine Signaling in Immune system","Signaling by Rho GTPases","Signaling by Hippo","Innate Immune System","Diseases of signal transduction by growth factor receptors and sec
ond messengers","Transmission across Chemical Synapses","Nervous system development","Intracellular signaling by second messengers","Cellular responses to stress",Mitotic,"Metabolism of carbohydrates"
,"MTOR signalling","Signaling by Non-Receptor Tyrosine Kinases","Membrane Trafficking","Signaling by GPCR","Signaling by TGFB family members","Non-integrin membrane-ECM interactions","Cell junction or
ganization","Signaling by NODAL","rRNA processing","Cell surface interactions at the vascular wall","Signaling by Hedgehog","MAPK family signaling cascades","Adaptive Immune System","Generic Transcrip
tion Pathway","Signaling by VEGF","HIV Infection","Interferon Signaling","RHO GTPase Effectors","Toll-like Receptor Cascades","Signaling by PDGFR in disease","Neurotransmitter receptors and postsynapt
ic signal transmission","Signaling by NTRKs","Axon guidance","PIP3 activates AKT signaling","Cellular Senescence","Signaling by KIT in disease","Mitotic G2-G2/M phases","Glycogen metabolism","Leishman
ia infection","Signaling by FGFR in disease","Signaling by MST1","mTORC1-mediated signalling","Signaling by PTK6","M Phase","Oncogenic MAPK signaling","trans-Golgi Network Vesicle Budding","Signaling 
by Insulin receptor","Clathrin-mediated endocytosis","GPCR downstream signalling","Signaling by BMP","Signaling by Interleukins","Cell-extracellular matrix interactions","Regulation of signaling by NO
DAL","Influenza Infection","Mitotic G1 phase and G1/S transition","rRNA processing in the nucleus and cytosol","Hedgehog 'on' state","Fc epsilon receptor (FCERI) signaling","Neutrophil degranulation",
"MAPK1/MAPK3 signaling","TCR signaling","Transcriptional Regulation by TP53","VEGF ligand-receptor interactions","VEGFA-VEGFR2 Pathway","Host Interactions of HIV factors","Interferon alpha/beta signal
ing","RHO GTPases activate PKNs","Toll Like Receptor 4 (TLR4) Cascade","Drug resistance of PDGFR mutants","Activation of NMDA receptors and postsynaptic events","Signaling by NTRK1 (TRKA)","RET signal
ing","Negative regulation of the PI3K/AKT network","Toll Like Receptor 5 (TLR5) Cascade","Signaling by ROBO receptors","Oxidative Stress Induced Senescence","Semaphorin interactions","Drug resistance 
of KIT mutants","Transcriptional regulation by RUNX1","G2/M Transition","Glycogen breakdown (glycogenolysis)","Leishmania parasite growth and survival","Signaling by FGFR1 in disease","Transcriptional
 Regulation by VENTX","Parasite infection","Signaling by FGFR3 in disease","PTK6 promotes HIF1A stabilization","Mitotic Metaphase and Anaphase","Signaling by RAS mutants","Golgi Associated Vesicle Bio
genesis","Insulin receptor signalling cascade","Cargo recognition for clathrin-mediated endocytosis","G alpha (i) signalling events","Interleukin-2 family signaling","G alpha (q) signalling events","R
egulation of cytoskeletal remodeling and cell spreading by IPP complex components","NS1 Mediated Effects on Host Pathways","Signaling by FGFR2 in disease","G1 Phase","Major pathway of rRNA processing 
in the nucleolus and cytosol","FCERI mediated Ca+2 mobilization","Interleukin-1 family signaling","EPH-Ephrin signaling","RAF/MAP kinase cascade","Generation of second messenger molecules","Regulation
 of TP53 Activity","VEGF binds to VEGFR leading to receptor dimerization","The role of Nef in HIV-1 replication and disease pathogenesis","Regulation of IFNA signaling","MyD88-independent TLR4 cascade
","Imatinib-resistant PDGFR mutants","Post NMDA receptor activation events","Activation of TRKA receptors",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MyD88 cascade initiated on plasma membrane"
,"Activation of RAC1","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Centrosome maturation","Anti-inflammatory r
esponse favouring Leishmania parasite infection","FGFR1 mutant receptor activation","Leishmania phagocytosis","Signaling by FGFR3 point mutants in cancer","VEGFR2 mediated cell proliferation","Mitotic
 Anaphase","Signaling downstream of RAS mutants","IRS-mediated signalling","Visual phototransduction","Interleukin-15 signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Inhibition of PKR",
"FGFR2 mutant receptor activation","Role of ABL in ROBO-SLIT signaling","Cyclin D associated events in G1","Signalling to ERKs","Signalling to ERK5","Interleukin-1 signaling","EPHB-mediated forward si
gnaling","Regulation of TP53 Expression and Degradation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","TRIF(TICAM1)-mediated TLR4 signaling","Regula
tion of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","NGF-independant TRKA activation","MAP kinase activation","Sema4D medi
ated inhibition of cell attachment and migration","Loss of proteins required for interphase microtubule organization from the centrosome","FCGR3A-mediated IL10 synthesis","Signaling by activated point
 mutants of FGFR1","Sema4D induced cell migration and growth-cone collapse","FCGR3A-mediated phagocytosis","FGFR3 mutant receptor activation","Separation of Sister Chromatids","PI3K Cascade","The phot
otransduction cascade","EGFR Transactivation by Gastrin","Activation of AMPK downstream of NMDARs","Activated point mutants of FGFR2","Prolonged ERK activation events","Activation of RAC1 downstream o
f NMDARs","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Ras activation upon Ca2+ influx through NMDA receptor","activated 
TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","Signaling by activated point mutants of FGFR3",Inactivation,"recovery 
and regulation of the phototransduction cascade","IKK complex recruitment mediated by RIP1","Frs2-mediated activation","ARMS-mediated activation","CREB phosphorylation","Activation of the AP-1 family 
of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{N-methyl-2-((3-(2-(2-pyridinyl)ethenyl)-1H-indazol-6-yl)thio)benzamide,Nmethyl2((3(2(2pyridinyl)ethenyl)1Hindazol6yl)thio)benzamide,Kinome_3641,Kinome3641,Kinome-3641,"Kinome 3641","Axitinib-(13C,d3)
","Axitinib(13C,d3)",CHEMBL1988437,HMS3244B04,HMS3244B08,HMS3244B12,HMS3654I03,HMS3674G15,1261432-00-1,1261432001,ANW-61822,ANW61822,AKOS030228495,NCGC00241108-03,NCGC0024110803,AK106979,FT-0659483,FT
0659483,Q,T1452,S1005,Axitinib,AXITINIB}

> <pdid>
PD003216

> <targets>
{VEGFR-PDGFR,KIT,VEGFR1/2/3,PDGFR}

> <classes>
{}

> <pubchem_cids>
{3086685}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 15  0  0  0  0            999 V2000
   11.4855   -3.3824    0.0000 H   0  3
    8.9855   -3.3824    0.0000 Cl  0  5
    6.4848   -8.2644    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 N   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  2  3
  6  7  1  0
  7  8  1  0
  7  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12015

> <plate>
PLATE 014

> <well>
C5

> <supplier_cmpd_name>
Phenformin hydrochloride

> <ctcr_id>
4077

> <supplier_cmpd_id>
T1453

> <smiles>
[H+].[Cl-].NC(N)=NC(N)=NCCc1ccccc1

> <pd_targets>
{TSHR,CYP2D26,HIF1A,CYP2D6,LMNA,MAPT,SLC22A1,SLC22A2,PRKAA1,KCNJ8}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Transcription factor","Other nuclear protein","Other cytosolic protein",Transporter,"Ion channel","Family A G protein-coupled receptor","Cytochrome P450","Electrochemical 
transporter",Kinase,"Voltage-gated ion channel","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","SLC superfamily of solute carriers","Protein Kinase","Potassium channels","Glycohormone r
eceptor","Cytochrome P450 family 2D","SLC22 family of organic cation and anion transporters","CAMK protein kinase group","Inwardly rectifying potassium channel","Cytochrome P450 2D2","Cytochrome P450 
2D6","CAMK protein kinase CAMK1 family","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","G protein-coupled receptors","Cytochrome P450","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Glycoprotein ho
rmone receptors","CYP2 family: drug metabolising subset","SLC22 family of organic cation and anion transporters","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","Organic cati
on transporters (OCT)","CAMK-like (CAMKL) family","Inwardly rectifying potassium channels","AMPK subfamily"}

> <pathway_reactome>
{Disease,"Cellular responses to external stimuli",Metabolism,"Cell Cycle","Neuronal System","Transport of small molecules","Gene expression (Transcription)","Infectious disease","Cellular responses to
 stress","Biological oxidations",Mitotic,"Transmission across Chemical Synapses","SLC-mediated transmembrane transport","RNA Polymerase II Transcription","Potassium Channels","Leishmania infection","C
ellular response to hypoxia","Phase I - Functionalization of compounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Transport of bile salts and organic acids","metal i
ons and amine compounds","Generic Transcription Pathway","Inwardly rectifying K+ channels","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor
 Alpha","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Organic cation/anion/zwitterion transport","Transcriptio
nal Regulation by TP53","ATP sensitive Potassium channels","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Mitotic Anaphase","Post NMDA receptor activation events","O
rganic cation transport","Regulation of TP53 Activity","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of
 NMDARs","Regulation of TP53 Activity through Phosphorylation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS026750110,"PHENFORMIN HYDROCHLORIDE",834-28-6,834286,"Phenformin HCl","Phenethylbiguanide hydrochloride",Meltrol,Dipar,Meltrol-50,Meltrol50,"1-Phenethylbiguanide hydrochloride","1Phenethylbiguani
de hydrochloride","Phenformin (hydrochloride)","USAF VI-6","USAF VI6","Imidodicarbonimidic di",S2542,1505983,Prestw-179,"Phenformin hydrochloride"}

> <pdid>
PD009649

> <targets>
{AMPK}

> <classes>
{antidiabetic}

> <pubchem_cids>
{657277,13266}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    3.1905   -2.6376    0.0000 C   0  0
    4.6589   -2.9478    0.0000 O   0  0
    5.1253   -4.3743    0.0000 C   0  0
    6.5937   -4.6845    0.0000 C   0  0
    7.0600   -6.1102    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  1  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  2 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15  1  1  0
 14 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12016

> <plate>
PLATE 014

> <well>
C6

> <supplier_cmpd_name>
Aciclovir

> <ctcr_id>
11095

> <supplier_cmpd_id>
T1454

> <smiles>
c12c(ncn1COCCO)c(=O)[nH]c(n2)N

> <pd_targets>
{PUNA,HBB,TK1,HSD17B10,PNP,TSHR,USP2,BLM,RECQL}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Membrane receptor",Transferase,Oxidoreductase,"Family A G protein-coupled receptor",Protease,"Peptide receptor (family A GPCR)","Cysteine protease","Glycohormone receptor",
"Cysteine protease CA clan","Cysteine protease C19 family"}

> <pathway_chembl>
{Enzymes,Receptors,"2.4.2.1 Purine-nucleoside phosphorylase","G protein-coupled receptors","Peptidases and proteinases","Glycoprotein hormone receptors","CA: Cysteine (C) Peptidases","C19: Ubiquitin-s
pecific protease"}

> <pathway_reactome>
{"Immune System","Cell Cycle",Metabolism,Disease,"Gene expression (Transcription)","DNA Repair","Innate Immune System",Mitotic,"Metabolism of amino acids and derivatives","Metabolism of nucleotides","
Infectious disease","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Neutrophil degranulation","Mitotic G1 phase and G1/S transition","Branched-chain amino acid catabolism","Nucleob
ase catabolism","Leishmania infection","Generic Transcription Pathway","Homology Directed Repair","G1/S Transition","Purine catabolism","Leishmania parasite growth and survival","Transcriptional Regul
ation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G1/S-Specific Transcription","Anti-inflammatory response favouring Leishmania parasite infection","Regulat
ion of TP53 Activity","HDR through Homologous Recombination (HRR)","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Homologous DNA Pairing and
 Strand Exchange","Regulation of TP53 Degradation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Acyclovir & Pluronic F-68","Acyclovir & Pluronic F68",Cyclovir,Poviral,Sitavir,acyclovir,Aciclovir,Acycloguanosine,59277-89-3,59277893,Zovirax,Vipral,Virorax,Wellcome-248U,Wellcome248U,9-((2-Hydroxy
ethoxy)methyl)guanine,9((2Hydroxyethoxy)methyl)guanine,Aciclovirum,Zovir,2-Amino-9-((2-hydroxyethoxy)methyl)-1H-purin-6(9H)-one,2Amino9((2hydroxyethoxy)methyl)1Hpurin6(9H)one,T1454}

> <pdid>
PD000980

> <targets>
{"DNA synthesis"}

> <classes>
{"DNA Damage/DNA Repair"}

> <pubchem_cids>
{135398513}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    3.8869   -8.2595    0.0000 O   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4855   -8.2648    0.0000 N   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    7.7816  -12.0187    0.0000 C   0  0
    9.0806  -12.7688    0.0000 C   0  0
   10.3797  -12.0188    0.0000 C   0  0
   10.3797  -10.5188    0.0000 C   0  0
    9.0807   -9.7688    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  2 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12017

> <plate>
PLATE 014

> <well>
C7

> <supplier_cmpd_name>
Nialamide

> <ctcr_id>
2967

> <supplier_cmpd_id>
T1455

> <smiles>
O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2

> <pd_targets>
{CYP2C9,CYP1A2,NFO,NFKB1,CYP2D6,KDM4E,TGR,CYP3A4,LMNA,CYP2C19,TSHR,ALDH1A1,MAOA,MAOB}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Other nuclear protein","Membrane receptor","Cytochrome P450",Hydrolase,Eraser,Protease,"Family A G protein-coupled receptor",Oxidoreductase,"C
ytochrome P450 family 2","Cytochrome P450 family 1","Lysine demethylase","Cytochrome P450 family 3","Cysteine protease","Peptide receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 
family 1A","Cytochrome P450 family 2D","Jumonji domain-containing","Cytochrome P450 family 3A","Cysteine protease CA clan","Glycohormone receptor","Cytochrome P450 2C9","Cytochrome P450 1A1","Cytochro
me P450 2D6","Cytochrome P450 3A4","Cytochrome P450 2C19","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Chromatin modifying enzymes","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP1 family","1.14.11.- Histone demethylases","CYP3 family","G
lycoprotein hormone receptors"}

> <pathway_reactome>
{Metabolism,"Immune System","Cell Cycle",Disease,"Biological oxidations","Cytokine Signaling in Immune system","Metabolism of lipids",Mitotic,"Infectious disease","Phase I - Functionalization of compo
unds","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Leishmania infection","Cytochrome P450 - arranged by substrate type","Interleukin-1 family sign
aling","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Ethanol oxidation",Xenobiotics,"Interleukin-1 signaling","Biosynthesis of maresins
","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent
 MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{COMT,MAOA,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{Nialamide,Nialamid,Niamidal,Niamid,51-12-7,51127,Niaquitil,Niazin,Psicodisten,Novazid,Nuredal,Nyazin,Surgex,Mygal,BEIH,Delmoneurina,Isalizina,Espril,Delmoneurinaesprilisalizina,N-(2-(Benzylcarbamyl)e
thylamino)isonicotinamide,N(2(Benzylcarbamyl)ethylamino)isonicotinamide,2-(2-(Benzylcarbamyl)ethy,2(2(Benzylcarbamyl)ethy,T1455,SAM001246861,1505986,Prestw-1099,CPD000059131,NIALAMIDE}

> <pdid>
PD000240

> <targets>
{}

> <classes>
{"MAO inhibitor"}

> <pubchem_cids>
{4472}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.6193    3.9803    0.0000 C   0  0
   -2.0458    5.4204    0.0000 C   0  0
   -1.0096    6.5049    0.0000 C   0  0
    0.4478    6.1498    0.0000 C   0  0
    0.8689    4.7101    0.0000 C   0  0
   -0.1673    3.6256    0.0000 C   0  0
    0.2534    2.1858    0.0000 O   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.2337    3.1102    0.0000 C   0  0
   -8.7329    3.0637    0.0000 C   0  0
   -9.4423    1.7421    0.0000 C   0  0
   -8.6524    0.4669    0.0000 C   0  0
   -7.1532    0.5134    0.0000 C   0  0
   -6.3629   -0.7616    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 12 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12018

> <plate>
PLATE 014

> <well>
C8

> <supplier_cmpd_name>
Deferasirox

> <ctcr_id>
5516

> <supplier_cmpd_id>
T1457

> <smiles>
OC(=O)c1ccc(cc1)n2nc(nc2c3ccccc3O)c4ccccc4O

> <pd_targets>
{SCN5A,ABCC4,ABCB11,KCND3}

> <pathway_gtopdb>
{"Ion channel",Transporter,"Voltage-gated ion channel","Primary active transporter","Voltage-gated sodium channel","ATP-binding cassette","Potassium channels","ABCC subfamily","ABCB subfamily","Voltag
e-gated potassium channel"}

> <pathway_chembl>
{"Ion channels",Transporters,"Voltage-gated ion channels","ATP-binding cassette transporter family","Voltage-gated sodium channels","ABCC subfamily","ABCB subfamily","Potassium channels","Voltage-gate
d potassium channels"}

> <pathway_reactome>
{"Developmental Biology",Hemostasis,Metabolism,"Muscle contraction","Nervous system development","Platelet activation","signaling and aggregation","Metabolism of lipids","Cardiac conduction","Axon gui
dance","Response to elevated platelet cytosolic Ca2+","Metabolism of steroids","Phase 1 - inactivation of fast Na+ channels","L1CAM interactions","Platelet degranulation","Bile acid and bile salt meta
bolism","Interaction between L1 and Ankyrins","Synthesis of bile acids and bile salts","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{CYP3A4}

> <broad_moa>
{"chelating agent"}

> <synonyms>
{201530-41-8,Exjade,"ICL 670",ICL670A,"ICL 670A",ICL-670A,ICL-670,ICL670,Deferasiroxum,"Deferasiroxum (INN-Latin)","4-(3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)benzoic acid",UNII-V8G4MOF2V9,CGP-
72670,"Deferasirox (Exjade)",CHEBI:49005,"4-(3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)benzoic acid","Benzoic acid, 4-(3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)-",V8G4MOF2V9,"4-(3,5-Bis(2-h
ydroxyphenyl)-1,2,4-triazol-1-yl)benzoic acid",C21H15N3O4,NCGC00181754-01,DSSTox_CID_28522,DSSTox_RID_82794,DSSTox_GSID_48596,1044764-54-6,Jadenu,SMR002544689,CAS-201530-41-8,"Deferasirox (USAN:INN:JA
N)","Jadenu Sprinkle","HSDB 7844","Exjade (TN)","Jadenu (TN)",PubChem20503,"Deferasirox, ICL670",SCHEMBL61756,SCHEMBL62042,MLS003915634,MLS006010080,"Deferasirox (JAN/USAN/INN)",CHEMBL550348,SCHEMBL10
71867,DTXSID1048596,"4-(3,5-bis(2-hydroxyphenyl)",HMS3655A04,BCP05341,EX-A4091,ZINC1481815,Tox21_112926,BDBM50088376,MFCD09751362,MFCD09951804,s1712,ZINC14880008,AKOS015855839,AKOS015902587,AKOS025312
553,Tox21_112926_1,ZINC100022643,ZINC100504305,ZINC100504309,AC-8972,BCP9000594,CCG-268337,CS-0901,DB01609,KE-0220,SB18926,NCGC00263572-01,AK544293,HY-17359,"Deferasirox 100 microg/mL in Acetonitrile"
,AB0020007,AB0073018,FT-0601564,FT-0665569,SW219752-1,V0697,D03669,W-5422,AB01565800_02,530D418,A814288,SR-01000931971,J-013060,Q5251502,SR-01000931971-2,F0001-2380,"4-(3,5-Bis(2-hydroxyphenyl)-(1,2,4
)triazol-1-yl)benzoic acid",T1457,S1712,Deferasirox}

> <pdid>
PD000116

> <targets>
{Others,Bacterial,Ferroptosis}

> <classes>
{Others,Anti-infection,Apoptosis}

> <pubchem_cids>
{214348}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.6747   -6.1134    0.0000 S   0  0
    3.1332   -7.5416    0.0000 C   0  0
    2.2474   -8.7521    0.0000 S   0  0
    4.6332   -7.5468    0.0000 N   0  0
    5.5122   -8.7602    0.0000 C   0  0
    7.0051   -8.6063    0.0000 C   0  0
    7.6176   -7.2370    0.0000 O   0  0
    7.8851   -9.8211    0.0000 O   0  0
    5.1017   -6.1218    0.0000 C   0  0
    6.5271   -5.6548    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  2 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 15 20  1  0
 20 11  1  0
 20 21  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12019

> <plate>
PLATE 014

> <well>
C9

> <supplier_cmpd_name>
Epalrestat

> <ctcr_id>
7154

> <supplier_cmpd_id>
T1458

> <smiles>
CC(=C\c1ccccc1)/C=C/2SC(=S)N(CC(O)=O)C2=O

> <pd_targets>
{AKR1B1,AKR1A1,AKR1B10,SORD,CYP4A11,LMNA,MAPT,ALD,NPC1,ABCC4,ABCB11,ABCC3,ABCC2}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Other cytosolic protein",Transporter,Oxidoreductase,"Cytochrome P450","Primary active transporter","Cytochrome P450 family 4","ATP-binding cassette","Cytochrome P450 f
amily 4A","ABCC subfamily","ABCB subfamily","Cytochrome P450 4A11"}

> <pathway_chembl>
{Enzymes,Transporters,"1.-.-.- Oxidoreductases","Cytochrome P450","SLC superfamily of solute carriers","ATP-binding cassette transporter family","CYP4 family","SLC65 NPC-type cholesterol transporters"
,"ABCC subfamily","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Neuronal System","Transport of small molecules",Hemostasis,Disease,"Metabolism of lipids","Biological oxidations","Metabolism of vitamins and cofactors","Metabolism of carboh
ydrates",Mitotic,"Transmission across Chemical Synapses","Plasma lipoprotein assembly",remodeling,"and clearance","Platelet activation","signaling and aggregation","Disorders of transmembrane transpor
ters","Metabolism of steroids","Phase II - Conjugation of compounds","Metabolism of fat-soluble vitamins","Fructose metabolism","Phase I - Functionalization of compounds","M Phase","Neurotransmitter r
eceptors and postsynaptic signal transmission","Plasma lipoprotein clearance","Response to elevated platelet cytosolic Ca2+","ABC transporter disorders","Metabolism of steroid hormones","Glutathione c
onjugation","Retinoid metabolism and transport","Fructose biosynthesis","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic e
vents","LDL clearance","Platelet degranulation","Bile acid and bile salt metabolism","Defective ABCC2 causes DJS","Pregnenolone biosynthesis",Eicosanoids,"Mitotic Anaphase","Post NMDA receptor activat
ion events","Synthesis of bile acids and bile salts","Recycling of bile acids and salts","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile 
salts via 7alpha-hydroxycholesterol","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{AKR1B1}

> <broad_moa>
{"aldose reductase inhibitor"}

> <synonyms>
{82159-09-9,82159099,Kinedak,Ono-2235,Ono2235,Epalrestatum,"Ono 2235",ONO-2,ONO2,UNII-424DV0807X,UNII424DV0807X,C15H13NO3S2,CHEMBL56337,CHEBI:31539,"5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3
-thiazolidineacetic acid","5((Z,E)betaMethylcinnamylidene)4oxo2thioxo3thiazolidineacetic acid",424DV0807X,"Epalrestat (INN)","Epalrestatum (",S2035,Epalrestat}

> <pdid>
PD000498

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{1549120}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    4.8086   -5.7146    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.1815   -9.7846    0.0000 C   0  0
    2.6502  -10.0894    0.0000 C   0  0
    3.1207  -11.5137    0.0000 C   0  0
    2.1224  -12.6333    0.0000 C   0  0
    0.6537  -12.3286    0.0000 C   0  0
    0.1832  -10.9042    0.0000 C   0  0
   -1.2862  -10.5994    0.0000 C   0  0
   -1.8838   -9.2375    0.0000 N   0  0
   -3.3745   -9.4039    0.0000 N   0  0
   -3.6769  -10.8731    0.0000 N   0  0
   -2.3731  -11.6147    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 10 14  2  0
 14  6  1  0
 14 15  1  0
 15  4  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12020

> <plate>
PLATE 014

> <well>
C10

> <supplier_cmpd_name>
Candesartan

> <ctcr_id>
4356

> <supplier_cmpd_id>
T1461

> <smiles>
CCOc1nc2cccc(C(O)=O)c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5

> <pd_targets>
{AGTR1,AGTR1A,AGTR1B,CYP2C9,ADRB3,CYP3A4,EGFR,ADRA2B,SLC6A2,TBXAS1,ADORA3,ERBB2}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,Transporter,"Family A G protein-coupled receptor","Cytochrome P450",Kinase,"Electrochemical transporter","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Smal
l molecule receptor (family A GPCR)","Cytochrome P450 family 3","Protein Kinase","SLC superfamily of solute carriers","Cytochrome P450 family 5","Short peptide receptor (family A GPCR)","Cytochrome P4
50 family 2C","Monoamine receptor","Cytochrome P450 family 3A","TK protein kinase group","SLC06 neurotransmitter transporter family","Cytochrome P450 family 5A","Nucleotide-like receptor (family A GPC
R)","Angiotensin receptor","Cytochrome P450 2C9","Adrenergic receptor","Cytochrome P450 3A4","Tyrosine protein kinase EGFR family","Cytochrome P450 5A1","Adenosine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Cytochrome P450","Catalytic receptors","SLC superfamily of solute carriers","Angiotensin receptors","CYP2 family: drug metabolising subse
t",Adrenoceptors,"CYP3 family","Receptor kinases","SLC6 neurotransmitter transporter family",CYP5,"CYP7 and CYP8 families","Adenosine receptors","TK: Tyrosine kinase","Monoamine transporter subfamily"
,"Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Developmental Biology","Signaling by GPCR","Biological oxidations","Infectious disease","Metabolism of lipids","Disorders of transmembrane transporters","Ner
vous system development","GPCR ligand binding","Phase I - Functionalization of compounds","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling
","SLC transporter disorders","Axon guidance","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Biosynthesis of DHA-deriv
ed SPMs","G alpha (q) signalling events","Defective SLC6A2 causes orthostatic intolerance (OI)","Semaphorin interactions","Peptide ligand-binding receptors",Xenobiotics,"Anti-inflammatory response fav
ouring Leishmania parasite infection","Biosynthesis of maresins","Gastrin-CREB signalling pathway via PKC and MAPK","Amine ligand-binding receptors",Eicosanoids,"Nucleotide-like (purinergic) receptors
","Sema4D in semaphorin signaling","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","EGFR Transactivation by Gastrin",Adrenoceptors,"Ade
nosine P1 receptors","Sema4D induced cell migration and growth-cone collapse"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW125,candesartan,139481-59-7,139481597,CV-11974,CV11974,"CV 11974",UNII-S8Q36MD2XX,UNIIS8Q36MD2XX,C24H20N6O3,CHEMBL1016,S8Q36MD2XX,CHEBI:3347,"Candesartan cilexetil related compound g",NCGC001674
74-01,NCGC0016747401,DSSTox_CID_2725,DSSToxCID2725,DSSTox-CID-2725,"DSSTox CID 2725",DSSTox_RID_75453,DSSToxRID75453,DSSTox-RID-75453,"DSSTox RID 75453",DSSTox_GSID_22725,DSSToxGSID22725,DSSTox-GSID-2
2725,"DSSTox GSID 22725",(3H)candesartan,CAS-139481-59,CAS13948159,S1578,Prestw-1258,Candesartan}

> <pdid>
PD001315

> <targets>
{RAAS}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{2541}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  1  0            999 V2000
    3.7332   -0.7121    0.0000 C   0  0
    3.1255   -2.0835    0.0000 C   0  0  2  0  0  0
    4.0102   -3.2959    0.0000 C   0  0
    5.5018   -3.1369    0.0000 S   0  0
    1.6332   -2.2426    0.0000 C   0  0
    1.0255   -3.6140    0.0000 O   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
   -1.6281   -2.2462    0.0000 C   0  0
   -3.1202   -2.0921    0.0000 O   0  0
   -1.0160   -3.6157    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
 11 12  1  6
 12 13  1  0
 12 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12021

> <plate>
PLATE 014

> <well>
C11

> <supplier_cmpd_name>
Captopril

> <ctcr_id>
6792

> <supplier_cmpd_id>
T1462

> <smiles>
C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O

> <pd_targets>
{ACE,F2,KDM4E,PMP22,THPO,PTGS1,LTA4H,MAPT,TGR,ALOX15,BLAIMP-1,PTGS2,DAPE,HSD17B10,REN,FFP,BLA2,BLAVIM-2,LMNA,ACE2,BLANDM-1,MMP2,MMP9}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein","Other cytosolic protein","Other nuclear protein",Protease,Eraser,Oxidoreductase,Hydrolase,Transferase,"Metallo protease","Serine protease","Lysin
e demethylase","Aspartic protease","Metallo protease MAE clan","Serine protease PA clan","Jumonji domain-containing","Aspartic protease AA clan","Metallo protease MAM clan","Metallo protease M2 family
","Serine protease S1A subfamily","Metallo protease M1 family","Aspartic protease A1A subfamily","Metallo protease M10A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","Chromatin modifying enzymes","Eicosanoid turnover","MA: Metallo (M) Peptidases","PA: Serine (S) Peptidases","1.14.11.- Histone demethylases",Cyclooxygenase,Lipox
ygenases,"AA: Aspartic (A) Peptidases","M2: Angiotensin-converting  (ACE and ACE2)","S1: Chymotrypsin","M1: Aminopeptidase N","A1: Pepsin","M10: Matrix metallopeptidase"}

> <pathway_reactome>
{"Metabolism of proteins",Disease,"Developmental Biology",Hemostasis,Metabolism,"Neuronal System","Cell Cycle","Peptide hormone metabolism","Diseases of hemostasis","Nervous system development","Plate
let activation","signaling and aggregation","Metabolism of lipids","Transmission across Chemical Synapses","Metabolism of amino acids and derivatives",Mitotic,"Metabolism of Angiotensinogen to Angiote
nsins","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Platelet Aggregation (Plug Formation)","Fatty ac
id metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Branched-chain amino acid catabolism","M Phase","Axon guid
ance","Defective factor VIII causes hemophilia A","Arachidonic acid metabolism","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DPA-derived S
PMs","Mitotic Metaphase and Anaphase","EPH-Ephrin signaling","Defective F8 cleavage by thrombin","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of aspirin-triggered D-series re
solvins","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","EPH-ephrin mediated repulsion of cells","Activation of AMPK downstream of NMDARs","Biosynthesis of DPA
n-3-derived protectins and resolvins","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ACE,LTA4H,MMP2,MMP9}

> <broad_moa>
{"angiotensin converting enzyme inhibitor"}

> <synonyms>
{62571-86-2,62571862,Capoten,L-Captopril,LCaptopril,Lopirin,Captopryl,Cesplon,Captolane,Tensoprel,Acepress,Captoril,Dilabar,Garranil,Hypertil,Tenosbon,Alopresin,Acepril,Lopril,Captoprilum,Acediur,Acep
lus,(2S)-1-((2S)-2-methyl-3-sulfanylpropanoyl)pyrrol,(2S)1((2S)2methyl3sulfanylpropanoyl)pyrrol,T1462,SAM002564201,1500682,Prestw-19,Captopril,CPD000059061,CAPTOPRIL}

> <pdid>
PD001635

> <targets>
{}

> <classes>
{antihypertensive}

> <pubchem_cids>
{44093}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  1  0            999 V2000
   -1.2969  -10.5958    0.0000 C   0  0
   -1.7622   -9.1698    0.0000 C   0  0
   -0.7600   -8.0526    0.0000 C   0  0
    0.7077   -8.3622    0.0000 O   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0  2  0  0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
 18 19  2  0
 19  8  1  0
 19 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12022

> <plate>
PLATE 014

> <well>
D2

> <supplier_cmpd_name>
Ramelteon

> <ctcr_id>
4629

> <supplier_cmpd_id>
T1463

> <smiles>
CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12

> <pd_targets>
{MTNR1A,ABCB11,MTNR1B}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,Enzyme,"Family A G protein-coupled receptor","Primary active transporter",Protease,"Small molecule receptor (family A GPCR)","ATP-binding cassette","Cysteine protease"
,"Monoamine-derivative receptor (family A GPCR)","ABCB subfamily","Cysteine protease CA clan","Melatonin receptor","Cysteine protease C1A family"}

> <pathway_chembl>
{Receptors,Transporters,"G protein-coupled receptors","ATP-binding cassette transporter family","Melatonin receptors","ABCB subfamily"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by GPCR","Metabolism of lipids","GPCR downstream signalling","Metabolism of steroids","G alpha (i) signalling events","Bile acid and bile salt metabolism",
"Synthesis of bile acids and bile salts","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{MTNR1A,MTNR1B}

> <broad_moa>
{"melatonin receptor agonist"}

> <synonyms>
{Ramelteon,196597-26-9,196597269,Rozerem,TAK-375,TAK375,"(S)-N-(2-(1,6,7,8-tetrahydro-2H-indeno-(5,4-b)furan-8-yl)ethyl)propionamide","(S)N(2(1,6,7,8tetrahydro2Hindeno(5,4b)furan8yl)ethyl)propionamide
",UNII-901AS54I69,UNII901AS54I69,"(S)-N-(2-(1,6,7,8-tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)propionamide",CHEMBL1218,901AS54I69,N-(2-(,N(2(,T1463,S1259,1505817,RAMELTEON}

> <pdid>
PD000712

> <targets>
{Others}

> <classes>
{"melatonin receptor agonist","GPCR & G Protein"}

> <pubchem_cids>
{208902}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 43  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1981    1.4971    0.0000 C   0  0
   -5.1976    2.9979    0.0000 C   0  0
   -6.4959    3.7492    0.0000 Cl  0  0
   -3.8978   -0.7554    0.0000 C   0  0
   -5.1947   -1.5091    0.0000 C   0  0
   -5.1905   -3.0091    0.0000 C   0  0
   -3.8893   -3.7554    0.0000 C   0  0
   -2.5924   -3.0018    0.0000 C   0  0
   -2.5967   -1.5018    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
    8.9894    0.7350    0.0000 O   0  0
    8.9894   -0.7650    0.0000 C   0  0
    7.6901   -1.5146    0.0000 O   0  0
   10.2894   -1.5150    0.0000 C   0  0
   11.5894   -0.7650    0.0000 C   0  0
   12.8879   -1.5158    0.0000 O   0  0
   11.5908    0.7358    0.0000 C   0  0
   12.8908    1.4858    0.0000 C   0  0
   14.1894    0.7350    0.0000 O   0  0
   12.8922    2.9858    0.0000 O   0  0
   11.5906   -2.2950    0.0000 C   0  0
   10.2919   -3.0456    0.0000 O   0  0
   12.8897   -3.0447    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 14 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 13 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 34 40  1  0
 40 41  1  0
 40 42  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12023

> <plate>
PLATE 014

> <well>
D3

> <supplier_cmpd_name>
Toremifene citrate

> <ctcr_id>
5611

> <supplier_cmpd_id>
T1464

> <smiles>
CN(C)CCOc1ccc(cc1)\C(=C(\CCCl)c2ccccc2)c3ccccc3.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"TOREMIFENE CITRATE",89778-27-8,89778278,Fareston,"Toremifene (Citrate)",UNII-2498Y783QT,UNII2498Y783QT,"89778-27-8 (citrate)","89778278 (citrate)",NSC613680,2498Y783QT,NSC-613680,"Toremifene Citrate
 (Fareston, Acapodene)",DSSTox_CID_1367,DSSToxCID1367,DSSTox-CID-1367,"DSSTox CID 1367",DSSTox_RID_76113,DSSToxRID76113,DSSTox-RID-76113,"DSSTox RID 76113",DSSTox_GSID_21367,DSSToxGSID21367,DSSTox-GSI
D-21367,"DSSTox GSID 21367",FC,T1464,S1776,SAM001246774,1505682,"Toremifene citrate","Toremifene Citrate",CPD000469213,"TOREMIPHENE CITRATE"}

> <pdid>

> <targets>
{Others}

> <classes>
{antineoplastic,anti-estrogen,"Endocrinology & Hormones"}

> <pubchem_cids>
{3005572}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 36  0  0  1  0            999 V2000
    7.9258    0.6940    0.0000 C   0  0
    7.9112   -0.8059    0.0000 C   0  0  2  0  0  0
    9.2031   -1.5682    0.0000 O   0  0
    6.6039   -1.5432    0.0000 C   0  0  2  0  0  0
    6.5893   -3.0431    0.0000 C   0  0
    5.3200   -0.7861    0.0000 C   0  0  2  0  0  0
    4.5654    0.5102    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -1.2948    3.7516    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -2.5909    6.0055    0.0000 O   0  0
   -5.1894    6.0109    0.0000 O   0  0
   -5.1873    7.5117    0.0000 C   0  0
   -6.4855    8.2648    0.0000 C   0  0
   -6.4834    9.7656    0.0000 C   0  0
   -7.7816   10.5187    0.0000 C   0  0
   -7.7794   12.0195    0.0000 C   0  0
   -9.0776   12.7726    0.0000 C   0  0
   -9.0755   14.2734    0.0000 C   0  0
  -10.3737   15.0265    0.0000 C   0  0
  -10.3716   16.5273    0.0000 C   0  0
   -9.0713   17.2751    0.0000 O   0  0
  -11.6691   17.2800    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  2  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  1
  7  8  1  0
  8  6  1  0
  8  9  1  6
 10  9  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 13 32  1  0
 32 33  1  1
 32 34  1  0
 34 10  1  0
 34 35  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12024

> <plate>
PLATE 014

> <well>
D4

> <supplier_cmpd_name>
Mupirocin

> <ctcr_id>
3803

> <supplier_cmpd_id>
T1465

> <smiles>
C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]2O

> <pd_targets>
{ILES,IARS1,SKA}

> <pathway_gtopdb>
{Enzyme,Ligase,Kinase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Metabolism of proteins",Translation,"tRNA Aminoacylation","Cytosolic tRNA aminoacylation"}

> <broad_targets>
{}

> <broad_moa>
{"isoleucyl-tRNA synthetase inhibitor"}

> <synonyms>
{"Mupirocinum (Latin)","Mupirocina (Spanish)",Mupirocin,12650-69-0,"Pseudomonic acid",Bactroban,Mupirocine,Centany,"Pseudomonic acid A",Mupirocina,Mupirocinum,"BRL 4910A",BRL-4910A,UNII-D0GX863OA5,"Ba
ctroban (TN)",CHEMBL719,CHEBI:7025,D0GX863OA5,MRC,Bactoderm,"6-Chloro-2,4-dimethoxy pyrimidine",MFCD01711620,NCGC00164554-03,Plasimine,"mupirocin calcium salt","Mupirocine (French)","Bactroban Ointmen
t",BRL-4910F,80558-54-9,"Centany (TN)","trans-Pseudomonic acid","Mupirocin Neo-Sensitabs","Mupirocin (USP/INN)",SR-05000001947,115074-43-6,1jzs,"Mupirocin (USAN:USP:INN:BAN)","Mupirocin,(S)","mupiroci
n lithium salt",CPD000471888,73346-79-9,SCHEMBL3291,DSSTox_CID_26438,DSSTox_RID_81614,DSSTox_GSID_46438,MLS001074711,BIDD:GT0320,"Mupirocin, Pseudomonic Acid A",cid_446596,SCHEMBL1027618,"Pseudomonic 
acid A lithium salt",DTXSID0046438,CHEBI:94519,GTPL10916,AOB6353,HMS2234E20,HMS3259L05,HMS3712K03,Pharmakon1600-01505706,HY-B0958,ZINC4102194,Tox21_112183,BDBM50290686,MFCD11977847,NSC759182,NSC815348
,AKOS015994756,"Mupirocin, >=92 (HPLC), powder",CCG-213522,DB00410,KS-5137,NC00620,NSC-759182,NSC-815348,NCGC00164554-05,NCGC00164554-06,AS-11580,SMR000471888,SBI-0206892.P001,AB0010371,CAS-12650-69-0
,M2955,S4297,C11758,D01076,M-8680,AB01563109_01,"Mupirocin, Antibiotic for Culture Media Use Only",Q413578,SR-05000001947-1,SR-05000001947-2,BRD-K15262564-001-06-9,"Mupirocin, United States Pharmacope
ia (USP) Reference Standard",T1465,SAM002589979,1505706,MUPIROCIN}

> <pdid>
PD000326

> <targets>
{Antibiotic,Bacterial}

> <classes>
{isoleucyl-tRNA synthetase inhibitor,antimycoplasmal,antibacterial,Anti-infection}

> <pubchem_cids>
{446596}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5917   -6.0086    0.0000 C   0  0
    2.5912   -7.5086    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  3
   -3.8976   -0.7554    0.0000 O   0  5
   -2.5951   -3.0031    0.0000 O   0  0
    1.2941   -3.7521    0.0000 C   0  0
   -0.0063   -4.4998    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 10  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
  8 21  1  0
 21 22  3  0
M  CHG  2  18   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12025

> <plate>
PLATE 014

> <well>
D5

> <supplier_cmpd_name>
Entacapone

> <ctcr_id>
3223

> <supplier_cmpd_id>
T2216

> <smiles>
CCN(CC)C(=O)/C(=C/c1cc(O)c(O)c(c1)[N+]([O-])=O)C#N

> <pd_targets>
{COMT,FFP,LSS,LMNA,FTO,KMT2A,MEN1,ABCC3,ABCC4,GPR35,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Epigenetic regulator",Transporter,"Membrane receptor",Transferase,Isomerase,Oxidoreductase,Reader,"Primary active transporter","Family A G protein-coupled receptor",Br
omodomain,"ATP-binding cassette","Small molecule receptor (family A GPCR)","ABCC subfamily","Carboxylic acid receptor","ABCB subfamily","Kynurenic acid receptor"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Catecholamine turnover","Lanosterol biosynthesis pathway","Chromatin modifying enzymes","ATP-binding cassette transporter family","G protein-coupled receptors","2.1.1.
43 Histone methyltransferases (HMTs)","ABCC subfamily","Orphan and other 7TM receptors","ABCB subfamily","Class A Orphans"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Cell Cycle","DNA Repair","Gene expression (Transcription)",Hemostasis,"Signal Transduction","Transmission across Chemical Synapses","Metabolism of lipids",Mitotic,"DNA D
amage Reversal","RNA Polymerase II Transcription","Platelet activation","signaling and aggregation","Signaling by GPCR","Neurotransmitter clearance","Metabolism of steroids","M Phase","Reversal of alk
ylation damage by DNA dioxygenases","Generic Transcription Pathway","Response to elevated platelet cytosolic Ca2+","GPCR ligand binding","Dopamine clearance from the synaptic cleft","Regulation of cho
lesterol biosynthesis by SREBP (SREBF)","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX1","Bile acid and bile salt metabolism","Platelet degranulation","Class A/1 (Rhodopsin-like 
receptors)","Enzymatic degradation of dopamine by COMT","Activation of gene expression by SREBF (SREBP)","Mitotic Anaphase","RUNX1 regulates genes involved in megakaryocyte differentiation and platele
t function","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Init
iation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{COMT}

> <broad_moa>
{"catechol O methyltransferase inhibitor"}

> <synonyms>
{RESTW140,ENTACAPONE,130929-57-6,130929576,Comtan,Comtess,Entacaponum,OR-611,OR611,Entacapona,"(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide","(E)2cyano3(3,4dihydroxy5nitrophenyl)N
,Ndiethylacrylamide","(E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide","(E)alphaCyanoN,Ndiethyl3,4dihydroxy5nitrocinnamamide",2-Cyano-N,2CyanoN,N-diethyl-3-(3,Ndiethyl3(3,4-dihydroxy-5-ni
tr,4dihydroxy5nitr,T2216,Prestw-1403,Entacapone}

> <pdid>
PD009994

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5281081}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0007    0.0000 N   0  0
   -1.3003    3.7529    0.0000 C   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -2.6029    6.0009    0.0000 C   0  0
   -2.6053    7.5009    0.0000 O   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -3.8983    3.7488    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 F   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 C   0  0
   -2.5936   -6.0031    0.0000 O   0  0
    0.0042   -5.9990    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13  7  1  0
  6 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22  2  1  0
 22 23  1  0
 23  5  1  0
 23 17  2  0
 20 24  1  0
 24 25  1  0
 24 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12026

> <plate>
PLATE 014

> <well>
D6

> <supplier_cmpd_name>
Nadifloxacin

> <ctcr_id>
6101

> <supplier_cmpd_id>
T1466

> <smiles>
CC1CCc2c(N3CCC(O)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O

> <pd_targets>
{LMNA,GYRB}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,Isomerase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{nadifloxacin,124858-35-1,124858351,OPC-7251,OPC7251,Acuatim,Nadixa,Nadifloxacine,"Opc 7251",jinofloxacin,NDFX,CHEBI:31889,S-Nadifloxacin,SNadifloxacin,NCGC00164620-01,NCGC0016462001,Nadifloxacino,Nad
ifloxacinum,(S)-(-)-Nadifloxacin,(S)()Nadifloxacin,DSSTox_CID_26483,DSSToxCID26483,DSSTox-CID-26483,"DSSTox CID 26483",DSSTox_RID_81654,DSSToxRID81654,DSSTox-RID-81654,"DSSTox RID 81654",DSSTox_GSID_4
64,DSSToxGSID464,DSSTox-GSID-464,"DSSTox GSID 464",T1466,Prestw-1120,Nadifloxacin}

> <pdid>
PD001695

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4410}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.6608   -1.8315    0.0000 O   0  0
   -5.1253   -4.3743    0.0000 O   0  0
   -6.5937   -4.6845    0.0000 C   0  0
   -7.0602   -6.1110    0.0000 C   0  0
   -6.0582   -7.2273    0.0000 O   0  0
   -8.5278   -6.4211    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -2.1885    3.7539    0.0000 O   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1272    4.3728    0.0000 C   0  0
   -6.5954    4.6799    0.0000 C   0  0
   -7.5955    3.5619    0.0000 C   0  0
   -9.0637    3.8689    0.0000 Cl  0  0
   -7.1272    2.1368    0.0000 C   0  0
   -5.6590    1.8298    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 10 19  1  0
 19  6  1  0
 19 20  2  0
 20  3  1  0
  7 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12027

> <plate>
PLATE 014

> <well>
D7

> <supplier_cmpd_name>
Acemetacin

> <ctcr_id>
6629

> <supplier_cmpd_id>
T1467

> <smiles>
COc1ccc2n(c(C)c(CC(=O)OCC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3

> <pd_targets>
{PKM,FFP,GLO1,HIF1A,ALD,PTGS1,PTGS2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Transferase,Lyase,Protease,Oxidoreductase,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,"2.7.1.40 Pyruvate kinases","Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Metabolism of carbohydrates","The citric acid (TCA) cycle and respiratory electron transport","Cellular responses to stress","Metabolism of lipids
","Glucose metabolism","Pyruvate metabolism and Citric Acid (TCA) cycle","Cellular response to hypoxia","Fatty acid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)",Glycolysis,"
Pyruvate metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Arachidonic acid metabolism","Biosynthesis of DPA-derived SPMs","Synthesis of Prostaglandins (PG) and T
hromboxanes (TX)","Biosynthesis of DPAn-3 SPMs"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{RESTW29,acemetacin,53164-05-9,53164059,Rantudil,Emflex,Acemetacinum,Acemix,Acemetacina,Acemetacine,"TVX 1322","indomethacin carboxymethyl ester","TVX 3322",K-708,K708,UNII-5V141XK28X,UNII5V141XK28X,"
K 708","indometacin glycolic ester","indomethacin glycolic ester","indometacin car",T1467,1500666,Prestw-296,Acemetacin,ACEMETACIN}

> <pdid>
PD001649

> <targets>
{COX}

> <classes>
{antiinflammatory,Immunology/Inflammation}

> <pubchem_cids>
{1981}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 23  0  0  0  0            999 V2000
    8.9632    0.7733    0.0000 Cl  0  0
    6.4625    6.7757    0.0000 C   0  0
    5.1636    6.0254    0.0000 C   0  0
    5.1630    4.5246    0.0000 N   0  0
    6.4611    3.7714    0.0000 C   0  0
    6.4588    2.2714    0.0000 C   0  0
    3.8634    3.7739    0.0000 C   0  0
    3.8627    2.2731    0.0000 C   0  0
    2.5631    1.5224    0.0000 O   0  0
    2.5625    0.0216    0.0000 C   0  0
    3.8615   -0.7286    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2628   -2.2303    0.0000 C   0  0
    2.5430   -3.0120    0.0000 C   0  0
    2.5063   -4.5115    0.0000 C   0  0
    1.1893   -5.2294    0.0000 C   0  0
   -0.0910   -4.4478    0.0000 C   0  0
   -0.0543   -2.9483    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 12 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12028

> <plate>
PLATE 014

> <well>
D8

> <supplier_cmpd_name>
Dicyclomine hydrochloride

> <ctcr_id>
11097

> <supplier_cmpd_id>
T1460

> <smiles>
Cl.CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1

> <pd_targets>
{TSHR,THPO,CYP3A4,MAPK1,KMT2A,MEN1,NPSR1,CHRM2,CHRM1,CHRM3,LMNA,CYP1A2,CHRM4,CYP2D6,SCN1A,SCN2A,SCN3A,ABCB11,HSD17B10,TDP1,PMP22,DRD3,HTR2A,HTR2C,HTR6,SIGMAR1,KCNH2,HRH2,CHRM5,HTR2B}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein",Enzyme,"Epigenetic regulator","Other nuclear protein","Ion channel",Transporter,"Family A G protein-coupled receptor","Cytochrome P450",Kinase,Reader,"Volta
ge-gated ion channel","Primary active transporter",Oxidoreductase,Hydrolase,"Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Protein Kinase",Bromodomain,"Small molecule receptor (family 
A GPCR)","Cytochrome P450 family 1","Cytochrome P450 family 2","Voltage-gated sodium channel","ATP-binding cassette","Potassium channels","Glycohormone receptor","Cytochrome P450 family 3A","CMGC prot
ein kinase group","Short peptide receptor (family A GPCR)","Monoamine receptor","Cytochrome P450 family 1A","Cytochrome P450 family 2D","ABCB subfamily","Voltage-gated potassium channel","Cytochrome P
450 3A4","CMGC protein kinase MAPK family","Neuropeptide receptor","Acetylcholine receptor","Cytochrome P450 1A1","Cytochrome P450 2D6","Dopamine receptor","Serotonin receptor","Histamine receptor","C
MGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Other protein targets","Ion channels","G protein-coupled receptors","Cytochrome P450","Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Sigma receptors
","Voltage-gated ion channels","Glycoprotein hormone receptors","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","Acetylcholine receptors (muscarinic)","CYP1 fam
ily","CYP2 family: drug metabolising subset","ABCB subfamily","Dopamine receptors","5-Hydroxytryptamine receptors","Potassium channels","Histamine receptors","Mitogen-activated protein kinases (MAP ki
nases)","Voltage-gated potassium channels","ERK subfamily"}

> <pathway_reactome>
{Disease,Hemostasis,Metabolism,"Immune System","Signal Transduction","Cell Cycle","DNA Repair","Developmental Biology","Muscle contraction","Infectious disease","Platelet activation","signaling and ag
gregation","Metabolism of lipids","Innate Immune System","Signaling by GPCR",Mitotic,"Biological oxidations","Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Nervous syste
m development","Cardiac conduction","Leishmania infection","Platelet Aggregation (Plug Formation)","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","GPCR ligan
d binding","M Phase","Phase I - Functionalization of compounds","Metabolism of steroids","Branched-chain amino acid catabolism","Nonhomologous End-Joining (NHEJ)","EGR2 and SOX10-mediated initiation o
f Schwann cell myelination","SARS-CoV Infections","Phase 3 - rapid repolarisation","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","C
lass A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Potential therapeutics for SARS","Anti-inflam
matory response favouring Leishmania parasite infection","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","Amine ligand-binding receptors","Mitotic Anaphase",Xenobiotics,"Synthe
sis of bile acids and bile salts","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","MAP kinase activation","Muscarinic acetylcholine receptors","Nuclear En
velope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Dopamine receptors
","Serotonin receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"Dicyclomine hydrochloride","Dicyclomine Hcl",67-92-5,67925,"67 92 5","Dicycloverine hydrochloride",Procyclomin,Bentomine,"Dicyclomine (hydrochloride)",Mamiesan,Merbentyl,Sawamin,Atumin,Dyspas,Oxityl
-P,OxitylP,"Oxityl P","Diocyl hydrochloride","Wyovin hydrochlor",T1460}

> <pdid>
PD009709

> <targets>
{mAChR}

> <classes>
{Neuroscience}

> <pubchem_cids>
{441344}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 S   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 Cl  0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 S   0  0
   -1.3164   -2.2191    0.0000 O   0  0
    1.3163   -2.2193    0.0000 O   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11  6  2  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
 12 14  2  0
  3 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12029

> <plate>
PLATE 014

> <well>
D9

> <supplier_cmpd_name>
Lornoxicam

> <ctcr_id>
2613

> <supplier_cmpd_id>
T1468

> <smiles>
CN1C(=C(O)c2sc(Cl)cc2[S]1(=O)=O)C(=O)Nc3ccccn3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{Lornoxicam,70374-39-9,70374399,Chlortenoxicam,Xefocam,Xefo,Lornoxicamum,Lorcam,"Lornoxicamum (INN-Latin)","Lornoxicamum (INNLatin)",Taigalor,Acabel,Safem,Telos,"Ro 13-9297","Ro 139297","Lorcam (TN)",
CLTX,"Lornoxicam (Xefo)",UNII-ER09126G7A,UNIIER09126G7A,"CCRIS 8589",CHEBI:31783,ER09126G7A,Lornoxicam-d4,Lornoxicamd4,M,T1468,S2047}

> <pdid>
PD001700

> <targets>
{Others,COX,Endogenous Metabolite}

> <classes>
{Neuronal Signaling,Immunology/Inflammation,Metabolic Enzyme/Protease}

> <pubchem_cids>
{54690031}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 40  0  0  0  0            999 V2000
    8.8995    2.2439    0.0000 H   0  3
    6.3995    2.2439    0.0000 Cl  0  5
    3.8976   -0.7500    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    3.8982   -2.2498    0.0000 C   0  0
    2.5997   -3.0012    0.0000 C   0  0
    1.3009   -3.7516    0.0000 O   0  0
    3.8988   -3.7512    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  -11.6982    3.7390    0.0000 C   0  0
  -12.9973    4.4890    0.0000 O   0  0
  -12.9977    2.9881    0.0000 C   0  0
  -12.9972    1.4881    0.0000 C   0  0
  -14.2960    0.7377    0.0000 C   0  0
  -15.5953    1.4872    0.0000 C   0  0
  -15.5958    2.9872    0.0000 C   0  0
  -14.2970    3.7377    0.0000 C   0  0
  -11.6978    5.2398    0.0000 C   0  0
  -10.3985    5.9894    0.0000 C   0  0
  -10.3981    7.4894    0.0000 C   0  0
  -11.6969    8.2398    0.0000 C   0  0
  -12.9961    7.4902    0.0000 C   0  0
  -12.9966    5.9902    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  2  0
  4  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 26 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12030

> <plate>
PLATE 014

> <well>
D10

> <supplier_cmpd_name>
Fexofenadine hydrochloride

> <ctcr_id>
3216

> <supplier_cmpd_id>
T1470

> <smiles>
[H+].[Cl-].CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4

> <pd_targets>
{BLM,HRH1,KCNH2,LMNA,APEX1,HSD17B10,ALOX15}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel","Other nuclear protein","Family A G protein-coupled receptor","Voltage-gated ion channel",Oxidoreductase,"Small molecule receptor (family A GPCR)","Potassium 
channels","Monoamine receptor","Voltage-gated potassium channel","Histamine receptor"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"G protein-coupled receptors","Voltage-gated ion channels","Eicosanoid turnover","Histamine receptors","Potassium channels",Lipoxygenases,"Voltage-gated potassium cha
nnels"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction","Muscle contraction","Cell Cycle",Metabolism,"DNA Double-Strand Break Repair","Signaling by GPCR","Cardiac conduction",Mitotic,"Base Excision Repair","Metabolism of
 amino acids and derivatives","Metabolism of lipids","Homology Directed Repair","GPCR ligand binding","Phase 3 - rapid repolarisation","M Phase","Resolution of Abasic Sites (AP sites)","Branched-chain
 amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like receptors)"
,"Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Biosynthesis of DPA-derived SPMs","HDR through Homologous Recombination (HRR)","Amine 
ligand-binding receptors","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","Biosynthesis of DPAn-3 SPMs","Homologous DNA Pairing and Strand Exchange","Histamine receptors","Nuclear 
Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{138452-21-8,138452218,"138452 21 8",AKOS015896119,AKOS015896444,A807389,"FEXOFENADINE HYDROCHLORIDE",153439-40-8,153439408,"153439 40 8","FEXOFENADINE HCL",Telfast,"Fexofenidine hydrochloride","MDL 1
6,455A","Fexofenadine (hydr",T1470L,T1470,S3208,SAM002700173,1504179,Prestw-1102,"Fexofenadine hydrochloride","Fexofenadine HCl",CPD000718798}

> <pdid>
PD002734

> <targets>
{"Histamine Receptor"}

> <classes>
{"Neuronal Signaling","nonsedating H1-antihistamine"}

> <pubchem_cids>
{45108248,63002,16417045}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  1  0            999 V2000
    1.2844    3.7485    0.0000 C   0  0
    2.5857    3.0025    0.0000 N   0  0
    2.5914    1.5017    0.0000 C   0  0
    3.8934    0.7553    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    2.6003   -1.4978    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2003   -1.4933    0.0000 C   0  0
    5.3453   -2.9734    0.0000 S   0  0
    6.8141   -3.2782    0.0000 C   0  0
    7.5577   -1.9755    0.0000 C   0  0
    6.5486   -0.8657    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  7  1  0
 16 11  1  0
  5 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12031

> <plate>
PLATE 014

> <well>
D11

> <supplier_cmpd_name>
Duloxetine hydrochloride

> <ctcr_id>
1567

> <supplier_cmpd_id>
T1471

> <smiles>
CNCC[C@H](Oc1cccc2ccccc12)c3sccc3

> <pd_targets>
{HTR2A,KMT2A,HTR6,CYP1A2,CYP3A4,SLC6A2,SLC6A3,SLC6A4,NET,HTT,GAA,CYP2C9,HTR2C,CYP2D6,SHMT2,CYP2C19,KCNH2,CACNA1C,CACNA1D,CACNA1F,CACNA1S,KCND3,SCN5A,KCNE1,KCNQ1}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator",Enzyme,Transporter,"Unclassified protein","Ion channel","Family A G protein-coupled receptor",Reader,"Cytochrome P450","Electrochemical transporter",Hydrola
se,Transferase,"Voltage-gated ion channel","Small molecule receptor (family A GPCR)",Bromodomain,"Cytochrome P450 family 1","Cytochrome P450 family 3","SLC superfamily of solute carriers","Cytochrome 
P450 family 2","Potassium channels","Voltage-gated calcium channel","Voltage-gated sodium channel","Monoamine receptor","Cytochrome P450 family 1A","Cytochrome P450 family 3A","SLC06 neurotransmitter 
transporter family","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Voltage-gated potassium channel","Serotonin receptor","Cytochrome P450 1A1","Cytochrome P450 3A4","Cytochrome P450 2C9","Cy
tochrome P450 2D6","Cytochrome P450 2C19"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","G protein-coupled receptors","Chromatin modifying enzymes","Cytochrome P450","SLC superfamily of solute carriers","3.2.1.- Glycosidases","Voltage-gated 
ion channels","5-Hydroxytryptamine receptors","2.1.1.43 Histone methyltransferases (HMTs)","CYP1 family","CYP3 family","SLC6 neurotransmitter transporter family","CYP2 family: drug metabolising subset
","Potassium channels","Voltage-gated calcium channels","Voltage-gated sodium channels","Monoamine transporter subfamily","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Disease,Metabolism,"Neuronal System","Muscle contraction","Developmental Biology","Signaling by GPCR","RNA Polymerase II Transcription","Infect
ious disease","Biological oxidations","Metabolism of lipids","Disorders of transmembrane transporters","Transmission across Chemical Synapses","Diseases of metabolism","Metabolism of vitamins and cofa
ctors","Cardiac conduction","Nervous system development","GPCR ligand binding","Generic Transcription Pathway","Leishmania infection","Phase I - Functionalization of compounds","Biosynthesis of specia
lized proresolving mediators (SPMs)","SLC transporter disorders","Neurotransmitter clearance","Diseases of carbohydrate metabolism","Metabolism of water-soluble vitamins and cofactors","Phase 3 - rapi
d repolarisation","Axon guidance","Phase 1 - inactivation of fast Na+ channels","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX1","Leishmania parasite growth and survival","
Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)
","Serotonin clearance from the synaptic cleft","Transcriptional Regulation by MECP2","Glycogen storage diseases","Metabolism of folate and pterines","NCAM signaling for neurite out-growth","L1CAM int
eractions","Amine ligand-binding receptors","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Anti-inflammatory response favouring Leishmania parasite infection"
,Xenobiotics,"Biosynthesis of maresins","Regulation of MECP2 expression and activity","Glycogen storage disease type II (GAA)","NCAM1 interactions","Interaction between L1 and Ankyrins","Serotonin rec
eptors","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","CYP2E1 reactions"}

> <broad_targets>
{HTR2A,HTR2C,HTR6,SLC6A2,SLC6A3,SLC6A4}

> <broad_moa>
{"norepinephrine reuptake inhibitor","serotoninânorepinephrine reuptake inhibitor (SNRI)"}

> <synonyms>
{methyl((3S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propyl)amine,methyl((3S)3(naphthalen1yloxy)3(thiophen2yl)propyl)amine,duloxetine,116539-59-4,116539594,(S)-Duloxetine,(S)Duloxetine,Cymbalta,Yentre
ve,(S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine,(S)NMethyl3(naphthalen1yloxy)3(thiophen2yl)propan1amine,136434-34-9,136434349,"LY 248686",UNII-O5TNM5N07U,UNIIO5TNM5N07U,Ariclaim
,Xeri,T1471,SAM001247059,"Duloxetine hydrochloride",CPD000449282}

> <pdid>
PD003013

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60835}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    7.9729    1.2121    0.0000 Cl  0  5
    2.9938   -0.6197    0.0000 O   0  0
    2.7799    0.8649    0.0000 C   0  0
    1.3863    1.4219    0.0000 C   0  0
    1.1724    2.9066    0.0000 O   0  0
    0.2065    0.4943    0.0000 O   0  0
   -1.1871    1.0507    0.0000 C   0  0  1  0  0  0
   -2.3904   -0.0332    0.0000 C   0  0
   -3.7811    0.4730    0.0000 C   0  0  1  0  0  0
   -2.5225    1.0365    0.0000 C   0  0
   -2.0813    2.2487    0.0000 C   0  0
   -2.7653    3.2639    0.0000 C   0  0  1  0  0  0
   -1.3746    2.7577    0.0000 C   0  0
   -3.9686    2.0630    0.0000 N   0  3
   -5.2189    0.9963    0.0000 C   0  0
   -6.2353    2.0048    0.0000 C   0  0
   -5.6299    3.6680    0.0000 C   0  0
   -4.2031    3.7872    0.0000 C   0  0
    3.9597    1.7926    0.0000 C   0  0
    5.3522    1.2350    0.0000 C   0  0
    6.5314    2.1622    0.0000 C   0  0
    6.3180    3.6469    0.0000 C   0  0
    4.9255    4.2045    0.0000 C   0  0
    3.7463    3.2774    0.0000 C   0  0
    1.6006   -0.0632    0.0000 C   0  0
    2.3096   -1.3851    0.0000 C   0  0
    1.5193   -2.6601    0.0000 C   0  0
    0.0200   -2.6131    0.0000 C   0  0
   -0.6889   -1.2912    0.0000 C   0  0
    0.1014   -0.0163    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  7  6  1  1
  7  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 12 11  1  1
 12 13  1  0
 13  7  1  0
 12 14  1  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
  3 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
  3 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  CHG  2   1  -1  14   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12032

> <plate>
PLATE 014

> <well>
E2

> <supplier_cmpd_name>
Trospium chloride

> <ctcr_id>
7519

> <supplier_cmpd_id>
T1472

> <smiles>
[Cl-].OC(C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]23CCCC3)(c4ccccc4)c5ccccc5

> <pd_targets>
{CHRM1,CHRM2,CHRM3}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM1}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"trospium chloride",Sanctura,10405-02-4,10405024,Spasmex,Spasmo-lyt,Spasmolyt,Relaspium,Santura,Uraplex,"Trospium Cl","Sanctura XR","Trospii chloridum","Cloruro de trospio","Spasmo 3","Chlorure de tr
ospium","Trospium (chloride)",IP631,UNII-1E6682427E,UNII1E6682427E,"Trospium chlo",S2549,"Trospium chloride","Trospium chloride"}

> <pdid>
PD010171

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{5284631}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 28  0  0  1  0            999 V2000
    2.5415    3.4323    0.0000 C   0  0
    2.3900    1.9400    0.0000 C   0  0  2  0  0  0
    1.0300    2.6800    0.0000 C   0  0
   -0.2800    1.9100    0.0000 C   0  0
   -0.2800    0.3200    0.0000 C   0  0  1  0  0  0
    1.0700   -0.4400    0.0000 C   0  0  1  0  0  0
    1.0700   -1.9900    0.0000 C   0  0
   -0.2400   -2.7600    0.0000 C   0  0
   -1.5700   -1.9900    0.0000 C   0  0  1  0  0  0
   -1.5700   -3.6700    0.0000 O   0  0
   -2.8700   -2.7600    0.0000 C   0  0  2  0  0  0
   -4.2300   -1.9900    0.0000 C   0  0
   -4.2300   -0.4400    0.0000 C   0  0
   -2.9200    0.3200    0.0000 C   0  0
   -1.5700   -0.4400    0.0000 C   0  0  2  0  0  0
   -1.5847    1.0599    0.0000 C   0  0
   -5.5256    0.3170    0.0000 C   0  0
   -6.8206    1.0740    0.0000 N   0  0
   -5.5259   -2.7455    0.0000 O   0  0
    2.3900    0.3400    0.0000 C   0  0  2  0  0  0
    3.8500   -0.1200    0.0000 C   0  0
    4.7500    1.0900    0.0000 C   0  0
    3.8000    2.3700    0.0000 C   0  0  2  0  0  0
    4.2692    3.7947    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  6
  7  8  1  0
  9  8  1  1
  9 10  1  0
 11 10  1  6
 11  9  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15  5  1  0
 15  9  1  0
 15 16  1  1
 13 17  1  0
 17 18  3  0
 12 19  1  0
  6 20  1  0
 20  2  1  0
 20 21  1  1
 21 22  1  0
 22 23  1  0
 23  2  1  0
 23 24  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12033

> <plate>
PLATE 014

> <well>
E3

> <supplier_cmpd_name>
Trilostane

> <ctcr_id>
7130

> <supplier_cmpd_id>
T1473

> <smiles>
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=C(C[C@]35C)C#N)O)[C@@H]1CC[C@@H]2O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Trilostane,13647-35-3,13647353,Modrenal,Vetoryl,Modrastane,Trilostanum,Trilostano,Win-24540,Win24540,UNII-L0FPV48Q5R,UNIIL0FPV48Q5R,"WIN 24,540",CHEBI:32260,L0FPV48Q5R,MFCD00199295,DSSTox_CID_3706,DS
SToxCID3706,DSSTox-CID-3706,"DSSTox CID 3706","(4alpha,5alpha,17beta)-3,17-dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile","(4alpha,5alpha,17beta)3,17dihydroxy4,5epoxyandrost2ene2carbonitrile",Andr,S
1404}

> <pdid>
PD001468

> <targets>
{Dehydrogenase}

> <classes>
{}

> <pubchem_cids>
{656583}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 36  0  0  0  0            999 V2000
   15.5002   -7.5017    0.0000 Br  0  5
   12.9995   -1.4792    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -1.3040   -9.7511    0.0000 C   0  0
   -2.6017  -10.5034    0.0000 O   0  0
   -0.0032  -10.4997    0.0000 O   0  0
   -0.0001  -12.0006    0.0000 C   0  0
    1.3007  -12.7491    0.0000 C   0  0
    1.3038  -14.2500    0.0000 N   0  3
    2.6015  -13.4977    0.0000 C   0  0
    2.6046  -14.9985    0.0000 C   0  0
    2.6076  -16.4985    0.0000 C   0  0
    0.0054  -15.0026    0.0000 C   0  0
    0.0070  -16.5026    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 31 35  1  0
 35 36  1  0
M  CHG  2   1  -1  31   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12034

> <plate>
PLATE 014

> <well>
E4

> <supplier_cmpd_name>
Otilonium bromide

> <ctcr_id>
6628

> <supplier_cmpd_id>
T1474

> <smiles>
[Br-].CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC[N+](C)(CC)CC

> <pd_targets>
{KMT2A,FFP}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Transferase,Bromodomain}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","RUNX1 regulates genes involved in megakaryocyte differentiat
ion and platelet function"}

> <broad_targets>
{CACNA1C}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{26095-59-0,26095590,"26095 59 0","Octylonium bromide",Octylonium,"Otilonium (bromide)",SP63,UNII-21HN3N72PV,UNII21HN3N72PV,"UNII 21HN3N72PV",21HN3N72PV,Spasmomen,DSSTox_CID_26357,DSSToxCID26357,DSSTo
x-CID-26357,"DSSTox CID 26357",DSSTox_RID_81559,DSSToxRID81559,DSSTox-RID-81559,"DSSTox RID 81559",DSSTox_GSID_46357,DSSToxGSID46357,DSSTox-GSID-46357,"DSSTox GSID 46357","Otilonii bromidum","Ottiloni
o bromuro","Ottilonio bromuro (Italian)",T1474,S3047,S3048,"Otilonium bromide","Solifenacin succinate","Otilonium Bromide"}

> <pdid>
PD014241

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{72092}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 38  0  0  1  0            999 V2000
    5.1884   -7.5113    0.0000 C   0  0
    5.1901   -6.0113    0.0000 C   0  0
    6.4902   -5.2631    0.0000 C   0  0
    3.8917   -5.2586    0.0000 N   0  0
    3.8934   -3.7577    0.0000 C   0  0
    2.5949   -3.0050    0.0000 C   0  0
    2.5966   -1.5042    0.0000 C   0  0  2  0  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    5.1956   -1.5125    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    7.7960   -1.5190    0.0000 C   0  0
    9.0965   -0.7716    0.0000 O   0  0
    6.5023    0.7331    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    2.6086    1.4995    0.0000 O   0  0
    2.6160    3.0003    0.0000 C   0  0
    3.9189    3.7436    0.0000 O   0  0
    1.3204    3.7579    0.0000 C   0  0
    1.3278    5.2579    0.0000 C   0  0
    0.0175    3.0147    0.0000 C   0  0
    2.5893   -6.0044    0.0000 C   0  0
    1.2924   -5.2507    0.0000 C   0  0
    2.5845   -7.5044    0.0000 C   0  0
   12.8972    0.7483    0.0000 O   0  0
   12.8972   -0.7517    0.0000 C   0  0
   11.5979   -1.5013    0.0000 O   0  0
   14.1972   -1.5017    0.0000 C   0  0
   15.4972   -0.7517    0.0000 C   0  0
   16.7972   -1.5017    0.0000 C   0  0
   16.7972   -3.0017    0.0000 O   0  0
   18.0964   -0.7521    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  7 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 20 21  2  0
 21 14  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
  4 28  1  0
 28 29  1  0
 28 30  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12035

> <plate>
PLATE 014

> <well>
E5

> <supplier_cmpd_name>
Fesoterodine fumarate

> <ctcr_id>
7427

> <supplier_cmpd_id>
T1475

> <smiles>
CC(C)N(CC[C@H](c1ccccc1)c2cc(CO)ccc2OC(=O)C(C)C)C(C)C.OC(=O)\C=C\C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Fesoterodine fumarate",286930-03-8,286930038,"286930 03 8",Toviaz,"SPM 907","SPM 8272","Fesoterodine maleate",UNII-EOS72165S7,UNIIEOS72165S7,"UNII EOS72165S7",SPM-907,SPM907,"Fesoterodine (fumarate)
","(R)-Fesoterodine fumarate","(R)Fesoterodine fumarate","(R)Fesoterodine fu",S2240,"Fesoterodine Fumarate","Fesoterodine Fumarate"}

> <pdid>

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{9849808}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  3
  9  2  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12036

> <plate>
PLATE 014

> <well>
E6

> <supplier_cmpd_name>
Ciclopirox

> <ctcr_id>
4411

> <supplier_cmpd_id>
T1482

> <smiles>
CC1=CC(=O)N(O)C(=C1)C2CCCCC2

> <pd_targets>
{DOHH,APE1,HIF1A,PARP1,KDM4E,RORC,ALOX12,TP53,MAPK1,CYP1A2,LMNA,ATP1A1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Unclassified protein","Other nuclear protein",Transporter,Oxidoreductase,Protease,Transferase,Eraser,"Nuclear receptor",Kinase,"Cytochrome P450",
"Primary active transporter","Metallo protease","Lysine demethylase","Nuclear hormone receptor subfamily 1","Protein Kinase","Cytochrome P450 family 1","P-type ATPase","Metallo protease MH clan","Jumo
nji domain-containing","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 family 1A","Sodium potassium ATPase","Metallo protease M18 family","Nuclear hormone r
eceptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Poly ADP-ribose polymerases","Chromatin modifying enzymes","Nuclear hormone receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","P-type ATPases",
"1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","P2C P-type ATPases","Mitogen-activated protein kinases
 (MAP kinases)",Na<sup>+</sup>/K<sup>+</sup>-ATPases,"ERK subfamily"}

> <pathway_reactome>
{"Metabolism of proteins","Cellular responses to external stimuli",Disease,"Gene expression (Transcription)",Metabolism,"Cell Cycle","Immune System","Post-translational protein modification","Cellular
 responses to stress","Infectious disease","RNA Polymerase II Transcription","Metabolism of lipids","Cell Cycle Checkpoints","Innate Immune System","Biological oxidations",Mitotic,"Gamma carboxylation
","hypusine formation and arylsulfatase activation","Cellular response to hypoxia","Influenza Infection","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","G1
/S DNA Damage Checkpoints","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","M Phase","SARS-CoV Infections","Hypusine synthesis from eIF5A-lysine","Oxygen-dependent proline hyd
roxylation of Hypoxia-inducible Factor Alpha","Influenza Viral RNA Transcription and Replication","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","p53-Dependent G1/S DNA damag
e checkpoint","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Potential therapeutics for SARS","vRNA Synthesis","RUNX3 Regulates 
Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane",Xenobiotics,"Mitotic Anaphase","Biosynthesis of DP
An-3-derived maresins","Stabilization of p53","MAP kinase activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Autodegradation of the E3 u
biquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ATP1A1}

> <broad_moa>
{"membrane integrity inhibitor"}

> <synonyms>
{CICLOPIROX,29342-05-0,29342050,Loprox,"HOE 296b",Ciclopiroxum,"2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-","2(1H)Pyridinone, 6cyclohexyl1hydroxy4methyl","Ciclopiroxum (INN-Latin)","Ciclopirox
um (INNLatin)",HOE-296b,HOE296b,6-cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one,6cyclohexyl1hydroxy4methylpyridin2(1H)one,6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one,6cyclohexyl1hydroxy4methylpyridi
n2one,6-Cyclohexyl-,6Cyclohexyl,T1482,S2528,Ciclopirox}

> <pdid>
PD003531

> <targets>
{Others,Autophagy,Bacterial,Ferroptosis,Fungal}

> <classes>
{Others,Anti-infection,Apoptosis,Autophagy}

> <pubchem_cids>
{2749}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  1  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13  8  2  0
 13 14  1  0
 14  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12037

> <plate>
PLATE 014

> <well>
E7

> <supplier_cmpd_name>
Pramipexole

> <ctcr_id>
6377

> <supplier_cmpd_id>
T1476

> <smiles>
CCCN[C@H]1CCc2nc(N)sc2C1

> <pd_targets>
{DRD3,DRD2,SIGMAR1,DRD4,DRD1,DRD5,HTR1A,ADRA2A,HTR2A,HTR7,ADRA2C,HRH2,ADRB2,HTR1B,ADRA2B}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Dopamine receptor","Serotonin receptor","Adrenergic receptor","Histamine rece
ptor"}

> <pathway_chembl>
{Receptors,"Other protein targets","G protein-coupled receptors","Sigma receptors","Dopamine receptors","5-Hydroxytryptamine receptors",Adrenoceptors,"Histamine receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by GPCR","Infectious disease","GPCR ligand binding","SARS-CoV Infections","Leishmania infection","Class A/1 (Rhodopsin-like receptors)","Potential therapeutic
s for SARS","Leishmania parasite growth and survival","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Dopamine receptors","Serotonin receptors",A
drenoceptors,"ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{ADRA2A,ADRA2B,ADRA2C,DRD1,DRD2,DRD3,DRD4,DRD5,HTR1A,HTR1B,HTR1D,HTR2A,HTR2B,HTR2C}

> <broad_moa>
{"dopamine receptor agonist"}

> <synonyms>
{pramipexole,104632-26-0,104632260,(-)-Pramipexole,()Pramipexole,Sifrol,Mirapexin,Pramipexol,"(S)-N6-Propyl-4,5,6,7-tetrahydrobenzo(d)thiazole-2,6-diamine","(S)N6Propyl4,5,6,7tetrahydrobenzo(d)thiazol
e2,6diamine",Pramipexolum,(S)-Pramipexole,(S)Pramipexole,Mirapex,SUD919CL2Y,U-98528E,U98528E,(S)-2-Amino-4,(S)2Amino4,5,6,7-tetrahydro-6-(propylamino)benzoth,7tetrahydro6(propylamino)benzoth,T1476,S24
60,SAM001247006,Prestw-1316,Pramipexole,CPD000449298}

> <pdid>
PD002907

> <targets>
{"Dopamine Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{119570}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5109    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5998    1.4986    0.0000 C   0  0  2  0  0  0
   -3.8983    0.7460    0.0000 C   0  0
   -5.1997    1.4920    0.0000 C   0  0
   -6.4964    0.7381    0.0000 C   0  0
   -6.4919   -0.7619    0.0000 C   0  0
   -5.1906   -1.5080    0.0000 C   0  0
   -3.8938   -0.7540    0.0000 C   0  0
   -2.6013    2.9994    0.0000 C   0  0
   -3.9001    3.7500    0.0000 C   0  0
   -3.8996    5.2500    0.0000 C   0  0
   -2.6003    5.9996    0.0000 C   0  0
   -2.5999    7.4996    0.0000 Cl  0  0
   -1.3016    5.2491    0.0000 C   0  0
   -1.3020    3.7491    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 14 11  1  6
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 14 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12038

> <plate>
PLATE 014

> <well>
E8

> <supplier_cmpd_name>
Levocetirizine

> <ctcr_id>
382

> <supplier_cmpd_id>
T1469

> <smiles>
OC(=O)COCCN1CCN(CC1)[C@H](c2ccccc2)c3ccc(Cl)cc3

> <pd_targets>
{HRH1,TEK,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel",Protease,"Family A G protein-coupled receptor",Kinase,"Voltage-gated ion channel","Cysteine protease","Small molecule receptor (family A GPCR)","Protein Kinas
e","Potassium channels","Cysteine protease CA clan","Monoamine receptor","TK protein kinase group","Voltage-gated potassium channel","Cysteine protease C1A family","Histamine receptor","Tyrosine prote
in kinase Tie family"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Catalytic receptors","Voltage-gated ion channels","Histamine receptors","Receptor kinases","Potassium channels","TK: Tyrosine kinase","Voltage-
gated potassium channels","Receptor tyrosine kinases (RTKs)","Type XII RTKs: TIE family of angiopoietin receptors"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Signaling by GPCR","MAPK family signaling cascades","Cardiac conduction","GPCR ligand binding","MAPK1/MAPK3 signaling","Phase 3 - rapid repolarisation","Cl
ass A/1 (Rhodopsin-like receptors)","RAF/MAP kinase cascade","Amine ligand-binding receptors","Histamine receptors"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{H230000000,Levocetirizine,130018-77-8,130018778,"130018 77 8",Xyzal,(R)-cetirizine,(R)cetirizine,"(R) cetirizine",(-)-Cetirizine,()Cetirizine,"( ) Cetirizine",UNII-6U5EA9RT2O,UNII6U5EA9RT2O,"UNII 6U5
EA9RT2O","(R)-Cetirizine dihydrochloride","(R)Cetirizine dihydrochloride","(R) Cetirizine dihydrochloride",6U5EA9RT2O,Xarlin,"(2-(4-((R)-(4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic aci
d","(2(4((R)(4chlorophenyl)(phenyl)methyl)piperazin1yl)ethoxy)acetic acid","(2 (4 ((R) (4 chlorophenyl)(phenyl)methyl)piperazin 1 yl)ethoxy)acetic acid",SMR000466315,Vozet,R-,R,T1469,T0089,SAM00124657
5,"Cetirizine dihydrochloride",CPD000466315}

> <pdid>
PD003052

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{1549000,28145931}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  1  0            999 V2000
    6.3888   -3.2190    0.0000 N   0  0
    5.3265   -4.2780    0.0000 C   0  0  1  0  0  0
    3.8775   -3.8868    0.0000 C   0  0
    2.8152   -4.9458    0.0000 O   0  0
    3.4909   -2.4366    0.0000 N   0  0
    2.0479   -2.0470    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 O   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
    5.7131   -5.7282    0.0000 C   0  0
    4.6525   -6.7891    0.0000 C   0  0
    5.0409   -8.2379    0.0000 C   0  0
    6.4898   -8.6260    0.0000 C   0  0
    7.5504   -7.5653    0.0000 C   0  0
    7.1620   -6.1164    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  2  0
  3  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12  7  1  0
 12 13  1  0
 13  6  1  0
 13 14  2  0
 11 15  1  0
 15 16  1  0
 15 17  2  0
 10 18  1  0
  2 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12039

> <plate>
PLATE 014

> <well>
E9

> <supplier_cmpd_name>
Cefaclor monohydrate

> <ctcr_id>
1720

> <supplier_cmpd_id>
T1495

> <smiles>
N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)Cl)c3ccccc3

> <pd_targets>
{ALD,FFP,KMT2A,MEN1,MAPT,KDM4E,ALDH1A1,HPGD,SKA,CTDSP1,SLC15A2,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PBP3,PBPA,LMNA,HSD17B10,TDP1,CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein",Transporter,"Other nuclear protein",Transferase,Reader,Eraser,Oxidoreductase,Kinase,Phosphatase,"Electrochemical transporter",Protease,Hydrolas
e,"Cytochrome P450",Bromodomain,"Lysine demethylase","Protein Phosphatase","SLC superfamily of solute carriers","Serine protease","Cytochrome P450 family 3","Jumonji domain-containing","Serine/threoni
ne protein phosphatase","SLC15 family of peptide transporters","Serine protease SE clan","Cytochrome P450 family 3A","Serine protease S11 family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,"Chromatin modifying enzymes","Eicosanoid turnover","SLC superfamily of solute carriers","Cytochrome P450","1.14.11.- Histone demethylases","Prostaglandin synthases","SLC15 famil
y of peptide transporters","CYP3 family"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Transport of small molecules","Cell Cycle","DNA Repair","Transmission across Chemical Synapses","Biological oxidations","Metabolism of lipids","SLC-mediated transmembran
e transport",Mitotic,"Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of comp
ounds","Biosynthesis of specialized proresolving mediators (SPMs)","Transport of inorganic cations/anions and amino acids/oligopeptides","M Phase","Branched-chain amino acid catabolism","Nonhomologous
 End-Joining (NHEJ)","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Proton/oligopeptide cotransporters","Mitotic Metaphase and Anaphase"
,"Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Mitotic Anaphase","Biosynthesis of maresins","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly",
"Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{cefaclor,53994-73-3,53994733,Cephaclor,Ceclor,"Cefaclor anhydrous",Cefaclorum,Kefral,Panoral,Raniclor,"Cefaclor hydrate","Cefaclorum (INN-Latin)","Cefaclorum (INNLatin)",UNII-3Z6FS3IK0K,UNII3Z6FS3IK0
K,"3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acid","3Chloro7D(2phenylglycinamido)3cephem4carboxylic acid","S 6472",CHEBI:3478,CCL,3,T1495,SAM001246884,1500771,"Cefaclor monohydrate",CPD
000058250,CEFACLOR}

> <pdid>
PD001586

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{51039,7048572}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    2.5532   -4.4223    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.2443   -5.8182    0.0000 O   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.7624   -8.0525    0.0000 C   0  0
   -1.7662   -9.1671    0.0000 C   0  0
   -3.2334   -8.8550    0.0000 C   0  0
   -4.2373   -9.9695    0.0000 Cl  0  0
   -3.6967   -7.4283    0.0000 C   0  0
   -2.6928   -6.3138    0.0000 C   0  0
   -5.1647   -7.1160    0.0000 S   0  0
   -5.6275   -5.6892    0.0000 N   0  0
   -6.1693   -8.2300    0.0000 O   0  0
   -6.6317   -6.8032    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10  2  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 21 24  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12040

> <plate>
PLATE 014

> <well>
E10

> <supplier_cmpd_name>
Indapamide

> <ctcr_id>
3898

> <supplier_cmpd_id>
T1498

> <smiles>
CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)[S](N)(=O)=O

> <pd_targets>
{CA2,CA3,CA4,CA5A,CA5B,CA9,CA13,CA1,CA7,CA12,ALDH1A1,CA6,CA14,GAA,ALOX15,SLC12A3}

> <pathway_gtopdb>
{Enzyme,Transporter,Lyase,Oxidoreductase,Hydrolase,"Electrochemical transporter","SLC superfamily of solute carriers","SLC12 family of cation-coupled chloride transporters"}

> <pathway_chembl>
{Enzymes,Transporters,"Carbonic anhydrases","3.2.1.- Glycosidases","Eicosanoid turnover","SLC superfamily of solute carriers",Lipoxygenases,"SLC12 family of cation-coupled chloride transporters"}

> <pathway_reactome>
{"Transport of small molecules",Metabolism,"Cellular responses to external stimuli","Immune System",Disease,"O2/CO2 exchange in erythrocytes","Reversible hydration of carbon dioxide","Cellular respons
es to stress","Cytokine Signaling in Immune system","Biological oxidations","Diseases of metabolism","Metabolism of lipids","Disorders of transmembrane transporters","Erythrocytes take up carbon dioxi
de and release oxygen","Cellular response to hypoxia","Signaling by Interleukins","Phase I - Functionalization of compounds","Diseases of carbohydrate metabolism","Biosynthesis of specialized proresol
ving mediators (SPMs)","SLC transporter disorders","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 family signaling","Ethanol oxidation","Glycogen storage diseases","Biosyn
thesis of DPA-derived SPMs","Defective SLC12A3 causes Gitelman syndrome (GS)","Interleukin-12 signaling","Glycogen storage disease type II (GAA)","Biosynthesis of DPAn-3 SPMs","Gene and protein expres
sion by JAK-STAT signaling after Interleukin-12 stimulation","Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{CA2,HTR3A,KCNQ1}

> <broad_moa>
{"thiazide diuretic"}

> <synonyms>
{680765,indapamide,26807-65-8,26807658,Noranat,Lozol,Tertensif,Veroxil,Indaflex,Arifon,Fludex,Indamol,Natrilix,Pressurai,Bajaten,Ipamix,Tandix,Indapamida,Damide,Indapamidum,"Indapamidum (INN-Latin)","
Indapamidum (INNLatin)","Indapamida (INN-Spanish)","Indapamida (INNSpanish)",SE-1520,SE1520,1-(4-Chloro-3-sulfamoylbenz,1(4Chloro3sulfamoylbenz,T1498,SAM002564214,1500349,Prestw-220,Indapamide,CPD0000
58829,INDAPAMIDE}

> <pdid>
PD002293

> <targets>
{}

> <classes>
{antihypertensive,diuretic}

> <pubchem_cids>
{3702}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 45  0  0  0  0            999 V2000
   -2.5894   -3.9005    0.0000 C   0  0
   -1.1671   -4.3770    0.0000 C   0  0
   -0.0420   -3.3837    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
    1.8372   -5.2877    0.0000 N   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3027    3.7529    0.0000 C   0  0
    0.0506    3.1362    0.0000 N   0  0
    1.0508    4.2541    0.0000 N   0  0
    0.2966    5.5507    0.0000 N   0  0
   -1.1696    5.2342    0.0000 N   0  0
    5.2276   -3.3960    0.0000 C   0  0
    6.3483   -4.3930    0.0000 O   0  0
    5.5312   -1.9263    0.0000 O   0  0
    6.9557   -1.4535    0.0000 C   0  0
    7.2593    0.0163    0.0000 C   0  0
    8.6205    0.6156    0.0000 C   0  0
    9.9209   -0.1321    0.0000 C   0  0
    8.4522    2.1061    0.0000 O   0  0
    6.9826    2.4066    0.0000 C   0  0
    6.3619    3.7722    0.0000 O   0  0
    6.2426    1.1018    0.0000 O   0  0
    4.2136   -6.5081    0.0000 C   0  0
    5.7059   -6.3560    0.0000 C   0  0
    5.0916   -7.7242    0.0000 C   0  0
    3.5996   -7.8766    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  4  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 22  2  0
  7 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 31  1  0
  6 38  1  0
 38 39  1  0
 38 40  1  0
 38 41  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12041

> <plate>
PLATE 014

> <well>
E11

> <supplier_cmpd_name>
Benicar

> <ctcr_id>
6021

> <supplier_cmpd_id>
T1518

> <smiles>
CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)OCC5=C(C)OC(=O)O5)C(C)(C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NSC-758924,NSC758924,"Olmesartan medoxomil",144689-63-4,144689634,Benicar,Olmetec,CS-866,CS866,"Cs 866",UNII-6M97XTV3HD,UNII6M97XTV3HD,C29H30N6O6,6M97XTV3HD,NCGC00095136-01,NCGC0009513601,Benevas,Ols
ertain,Olvance,"Benicar (TN)","Olmetec (TN)",SR-05000001987,SR05000001987,votume,Openvas,CS-866DM,CS866DM,T1518,1505205,Prestw-1190,"OLMESARTAN MEDOXOMIL",Olmesartan}

> <pdid>

> <targets>
{}

> <classes>
{antihypertensive,"Angiotensin II inhibitor prodrug"}

> <pubchem_cids>
{130881}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 23  0  0  0  0            999 V2000
   11.9554   -0.4782    0.0000 H   0  3
    9.4554   -0.4782    0.0000 Cl  0  5
    6.9546   -4.2653    0.0000 C   0  0
    5.4929   -3.9285    0.0000 N   0  0
    4.4707   -5.0263    0.0000 C   0  0
    5.0525   -2.4938    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23  9  1  0
 23 18  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12042

> <plate>
PLATE 014

> <well>
F2

> <supplier_cmpd_name>
Cyclobenzaprine hydrochloride

> <ctcr_id>
6817

> <supplier_cmpd_id>
T1509

> <smiles>
[H+].[Cl-].CN(C)CCC=C1c2ccccc2C=Cc3ccccc13

> <pd_targets>
{TSHR,CYP2D6,RET,CHRM1,THPO,CYP1A2,ALOX15,TP53,PMP22,NFO,TGR,KMT2A,MEN1,APEX1,LMNA,MTOR,HTR2A,HTR2B,HTR2C,HTR6,SLC6A4,SLC6A2,HTR7,TLR4,AOX1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Unclassified protein","Transcription factor","Epigenetic regulator","Other nuclear protein",Transporter,"Family A G protein-coupled receptor","Cytochrome P450",Kinase,Oxid
oreductase,Hydrolase,Reader,"Electrochemical transporter","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 fami
ly 1",Bromodomain,"SLC superfamily of solute carriers","Glycohormone receptor","Cytochrome P450 family 2D","TK protein kinase group","Monoamine receptor","Cytochrome P450 family 1A","Atypical protein 
kinase group","SLC06 neurotransmitter transporter family","Cytochrome P450 2D6","Tyrosine protein kinase Ret family","Acetylcholine receptor","Cytochrome P450 1A1","Atypical protein kinase PIKK family
","Serotonin receptor","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Cytochrome P450","Catalytic receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Glycoprotein ho
rmone receptors","CYP2 family: drug metabolising subset","Receptor kinases","Acetylcholine receptors (muscarinic)","CYP1 family",Lipoxygenases,Atypical,"5-Hydroxytryptamine receptors","SLC6 neurotrans
mitter transporter family","Pattern recognition receptors","TK: Tyrosine kinase","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter subfamily","Toll-like receptor f
amily","Receptor tyrosine kinases (RTKs)","FRAP subfamily","Type XIV RTKs: RET"}

> <pathway_reactome>
{Disease,Metabolism,"Developmental Biology","Signal Transduction",Hemostasis,"Cell Cycle","DNA Repair","Gene expression (Transcription)","Neuronal System","Immune System","Infectious disease","Biologi
cal oxidations","Nervous system development","Signaling by GPCR","Platelet activation","signaling and aggregation","Metabolism of lipids","Cell Cycle Checkpoints","Base Excision Repair",Mitotic,"RNA P
olymerase II Transcription","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Innate Immune System","Metabolism of vitamins and cofactors","Leishmania infection","Phas
e I - Functionalization of compounds","Axon guidance","GPCR ligand binding","Platelet Aggregation (Plug Formation)","Biosynthesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpo
ints","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Resolution of Abasic Sites (AP sites)","M Phase","Generic Transcription Pathway","Neurotransmitter clearance","SLC transporter d
isorders","Toll-like Receptor Cascades","Metabolism of water-soluble vitamins and cofactors","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","RET signaling","C
lass A/1 (Rhodopsin-like receptors)","Biosynthesis of DPA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Mitot
ic Metaphase and Anaphase","Transcriptional Regulation by TP53","Serotonin clearance from the synaptic cleft","Defective SLC6A2 causes orthostatic intolerance (OI)","Toll Like Receptor 4 (TLR4) Cascad
e","Vitamins B6 activation to pyridoxal phosphate","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Amine ligand-binding receptors","Biosynthesis of DPAn-3 SPMs","p53-
Dependent G1 DNA Damage Response","PCNA-Dependent Long Patch Base Excision Repair","Mitotic Anaphase","Regulation of TP53 Activity","MyD88-independent TLR4 cascade","ADORA2B mediated anti-inflammatory
 cytokines production","CYP2E1 reactions","Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of DPAn-3-derived protectins and resolvi
ns","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Regulation of TP53 Expression and Degradation","Serotonin receptors","TRIF(TICAM1)-mediated TLR4 signaling","Autodegradation of the E3 ub
iquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{HTR2A}

> <broad_moa>
{"adrenergic receptor agonist","serotonin receptor agonist"}

> <synonyms>
{RESTW44,"Cyclobenzaprine hydrochloride",6202-23-9,6202239,"Cyclobenzaprine HCL",Flexeril,Flexiban,Amrix,"Cyclobenzaprine (hydrochloride)",Lisseril,"MK 130 hydrochloride","Proheptatriene hydrochloride
","MK130 hydrochloride","Proheptatriene monohydrochloride",TN,1503207,Prestw-445,"CYCLOBENZAPRINE HYDROCHLORIDE"}

> <pdid>
PD009638

> <targets>
{}

> <classes>
{"muscle relaxant (skeletal)"}

> <pubchem_cids>
{22576,57515965}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    6.4451   -1.8434    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    5.5231    4.9024    0.0000 Cl  0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 C   0  0
    4.8054   -4.6666    0.0000 C   0  0
    6.2966   -4.8284    0.0000 O   0  0
    3.9195   -5.8781    0.0000 N   0  0
    4.5250   -7.2514    0.0000 N   0  0
    3.6414   -8.4636    0.0000 C   0  0
    4.2492   -9.8349    0.0000 C   0  0
    5.7408   -9.9941    0.0000 C   0  0
    6.6244   -8.7820    0.0000 C   0  0
    6.0165   -7.4107    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
 12 13  1  0
  5 14  1  0
 14  2  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
  3 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12043

> <plate>
PLATE 014

> <well>
F3

> <supplier_cmpd_name>
Rimonabant hydrochloride

> <ctcr_id>
2590

> <supplier_cmpd_id>
T1519

> <smiles>
Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(Cl)cc3)C(=O)NN4CCCCC4

> <pd_targets>
{GPR18,CNR1,CNR2,CYP1A2,LMNA,CYP2D6,CYP2C9,MAPT,CYP2C19,GPR55,NPSR1,CYP3A4,GSP1,KCNH2,FABP1,GSP2,ABCC4,ABCB11,ABCC1,ACHE}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein","Other cytosolic protein","Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 
1","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Lipid-like ligand receptor (family A GPCR)","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Cytoch
rome P450 family 2C","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Cannabinoid receptor","Cytochrome P450 1A1","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochrome P450 2C19
","Lysophosphatidylinositol receptor","Neuropeptide receptor","Cytochrome P450 3A4","Ion channel","Auxiliary transport protein",Transporter,"Voltage-gated ion channel","Fatty acid binding protein fami
ly","Primary active transporter",Hydrolase,"Potassium channels","ATP-binding cassette","Voltage-gated potassium channel","ABCC subfamily","ABCB subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Orphan and other 7TM receptors","Cannabinoid receptors","CYP1 family","CYP2 family: drug metabolising subset","Neuropeptide S recept
or","CYP3 family","Class A Orphans","Ion channels","Other protein targets",Transporters,"Voltage-gated ion channels","Fatty acid-binding proteins","ATP-binding cassette transporter family","Acetylchol
ine turnover","Potassium channels","ABCC subfamily","ABCB subfamily","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Cell Cycle","Neuronal System",Disease,"Signaling by GPCR","Biological oxidations",Mitotic,"Transmission across Chemical Synapses","Infectious disease","Metabolism of
 lipids","GPCR downstream signalling","Phase I - Functionalization of compounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","Biosynthesis of spe
cialized proresolving mediators (SPMs)","G alpha (i) signalling events","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic e
vents","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs",Xenobiotics,"Mitotic Anaphase","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishman
ia parasite infection","Biosynthesis of maresins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Activation of AMPK downstrea
m of NMDARs","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","Muscle contraction",Hemostasis,"Cardiac co
nduction","Platelet activation","signaling and aggregation","Phase 3 - rapid repolarisation","Regulation of lipid metabolism by PPARalpha","Response to elevated platelet cytosolic Ca2+","Metabolism of
 steroids","Fatty acid metabolism","Phospholipid metabolism","PPARA activates gene expression","Platelet degranulation","Bile acid and bile salt metabolism","Arachidonic acid metabolism","Glycerophosp
holipid biosynthesis","Synthesis of bile acids and bile salts","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Synthesis of PC","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"
}

> <broad_targets>
{CNR1,GPR55}

> <broad_moa>
{"cannabinoid receptor antagonist"}

> <synonyms>
{Rimonabant,168273-06-1,168273061,Acomplia,Zimulti,SR141716,"SR 141716",SR141716A,UNII-RML78EN3XE,UNIIRML78EN3XE,"A 281","Rimonabant free base","SR 141716A",SR-141716A,RML78EN3XE,CHEMBL111,"Rimonabant
 (SR141716)",SR-141716,Rimoslim,CHEBI:34967,NCGC00164572-01,NCGC0016457201,(3H)SR141716A,T1519L,T1915,T1519,S3021,AM251,"Rimonabant hydrochloride"}

> <pdid>
PD003150

> <targets>
{"Cannabinoid Receptor"}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{104850}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 46 53  0  0  1  0            999 V2000
    2.6018   -5.9994    0.0000 C   0  0
    3.9008   -5.2492    0.0000 O   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    6.4939   -0.7411    0.0000 O   0  0
    6.4894    0.7589    0.0000 C   0  0
    5.1993   -2.9963    0.0000 C   0  0
    6.4995   -3.7442    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.3114    2.9665    0.0000 C   0  0
    1.8032    3.1233    0.0000 O   0  0
    2.4133    1.7530    0.0000 C   0  0
    3.8805    1.4410    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0  2  0  0  0
   -1.2935    3.7495    0.0000 O   0  0
   -1.2883    5.2495    0.0000 C   0  0  2  0  0  0
    0.0133    5.9950    0.0000 C   0  0
    0.0185    7.4950    0.0000 O   0  0
   -1.2780    8.2495    0.0000 C   0  0
   -2.5796    7.5040    0.0000 O   0  0
   -2.5848    6.0040    0.0000 C   0  0  1  0  0  0
   -3.8864    5.2585    0.0000 C   0  0  2  0  0  0
   -5.1828    6.0129    0.0000 O   0  0
   -3.8915    3.7585    0.0000 C   0  0  1  0  0  0
   -5.1932    3.0130    0.0000 O   0  0
   -1.2728    9.7502    0.0000 C   0  0
   -0.0577   10.6078    0.0000 S   0  0
   -0.5185   12.0353    0.0000 C   0  0
   -2.0185   12.0381    0.0000 C   0  0
   -2.4847   10.6123    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.7124   -4.0030    0.0000 O   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -1.6105   -5.2165    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 12  5  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  1
 15 16  1  0
 16 17  1  0
 13 17  1  6
 17 18  2  0
 14 19  1  0
 19 20  1  1
 21 20  1  1
 21 22  1  0
 23 22  1  1
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 28 27  1  6
 28 23  1  0
 28 29  1  0
 29 30  1  1
 29 31  1  0
 31 21  1  0
 31 32  1  6
 26 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 33  2  0
 19 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 40  2  0
 44 45  1  0
 45 46  2  0
 46 12  1  0
 46 38  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12044

> <plate>
PLATE 014

> <well>
F4

> <supplier_cmpd_name>
Teniposide

> <ctcr_id>
7956

> <supplier_cmpd_id>
T1523

> <smiles>
COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5COC(O[C@H]5[C@H](O)[C@H]4O)c6sccc6)c7cc8OCOc8cc27

> <pd_targets>
{TOP2A,TOP2B,ABCC4,ABCC3,RORC,NCOA3,GAA,ATM}

> <pathway_gtopdb>
{Enzyme,Transporter,"Transcription factor","Epigenetic regulator",Isomerase,"Primary active transporter","Nuclear receptor",Writer,Hydrolase,Kinase,"ATP-binding cassette","Nuclear hormone receptor sub
family 1","Histone acetyltransferase","Protein Kinase","ABCC subfamily","Nuclear hormone receptor subfamily 1 group F","SRC family","Atypical protein kinase group","Nuclear hormone receptor subfamily 
1 group F member 3","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Transporters,Enzymes,Receptors,"ATP-binding cassette transporter family","DNA topoisomerases","Nuclear hormone receptors","Chromatin modifying enzymes","3.2.1.- Glycosidases","Kinases (EC 2.7.x.x)","
ABCC subfamily","1F. Retinoic acid-related orphans","2.3.1.48 Histone acetyltransferases (HATs)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{Hemostasis,Metabolism,"Cell Cycle","Gene expression (Transcription)",Disease,"Platelet activation","signaling and aggregation","Metabolism of lipids",Mitotic,"RNA Polymerase II Transcription","Diseas
es of metabolism","Cell Cycle Checkpoints","Response to elevated platelet cytosolic Ca2+","Metabolism of steroids","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Regulation of
 lipid metabolism by PPARalpha","Diseases of carbohydrate metabolism","G1/S DNA Damage Checkpoints","Platelet degranulation","Bile acid and bile salt metabolism","G0 and Early G1","Transcriptional reg
ulation by RUNX3","PPARA activates gene expression","Glycogen storage diseases","p53-Dependent G1/S DNA damage checkpoint","Recycling of bile acids and salts","Transcription of E2F targets under negat
ive control by DREAM complex","RUNX3 Regulates Immune Response and Cell Migration","Glycogen storage disease type II (GAA)","p53-Dependent G1 DNA Damage Response","Stabilization of p53","Autodegradati
on of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{TOP2A,TOP2B}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{teniposide,Teniposido,Teniposidum,"Teniposidum (INN-Latin)","Teniposidum (INNLatin)","Teniposido (INN-Spanish)","Teniposido (INNSpanish)","HSDB 6546","NSC 122819",NSC-122819,NSC122819,"4'-Demethylepi
podophyllotoxin-beta-D-thenylidene glucoside","4'DemethylepipodophyllotoxinbetaDthenylidene glucoside",SCHEMBL94844,CHEBI:75988}

> <pdid>
PD001289

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{34698}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    6.4451   -1.8434    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6061    6.0003    0.0000 C   0  0
   -2.6061    7.5003    0.0000 C   0  0
   -1.3071    8.2503    0.0000 C   0  0
   -1.3071    9.7503    0.0000 C   0  0
   -0.0080    7.5003    0.0000 C   0  0
    1.2933    8.2481    0.0000 N   0  0
    2.5920    7.4959    0.0000 C   0  0
    3.8936    8.2414    0.0000 N   0  0
    5.1901    7.4869    0.0000 C   0  0
    5.1849    5.9869    0.0000 C   0  0
    3.8833    5.2414    0.0000 C   0  0
    2.5869    5.9958    0.0000 N   0  0
    3.8782    3.7406    0.0000 C   0  0
    5.1735    2.9840    0.0000 C   0  0
    5.1659    1.4840    0.0000 C   0  0
    3.8632    0.7406    0.0000 C   0  0
    2.5679    1.4971    0.0000 N   0  0
    2.5754    2.9971    0.0000 C   0  0
   -0.0080    6.0003    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 F   0  0
   -2.5983   -3.0004    0.0000 F   0  0
   -3.8975   -2.2510    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 18 32  2  0
 32 13  1  0
  9 33  2  0
 33 34  1  0
 34 35  2  0
 35  7  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12045

> <plate>
PLATE 014

> <well>
F5

> <supplier_cmpd_name>
Nilotinib

> <ctcr_id>
1905

> <supplier_cmpd_id>
T1524

> <smiles>
Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F

> <pd_targets>
{ZAP70,DDR2,HCK,KCNH2,CA3,CA13,ABL1,BCR,STK10,NTRK2,MAPK10,RAF1,FGFR2,EPHB1,KIT,ABL2,EPHA3,TEK,CLK1,CSK,EPHA2,MAP3K20,SRC,PDGFRA,BLK,MAPK14,MAPK9,LYN,EPHB4,EPHA8,CLK4,BRAF,CA5A,CA4,JAK2,FLT3,DDR1,MAP2
K5,CA1,CA5B,CA2,CA9,CDC42BPB,FGR,PIP4K2C,MAP4K1,CSF1R,NTRK3,EPHA5,CDPK1,MAPK8,MAPK11,EPHB6,TIE1,RET,EPHA1,EPHA6,TAOK3,EPHB3,LCK,YES1,CA12,CA14,NQO2,TAOK1,CA6,MET,PDGFRB,EPHA4,FRK,CA7,CA15,EPHB2,TNNI3K
,MST1R,INSR,FYN,BMX,TYK2,FGFR1,CACNA1C,CACNA1D,CACNA1F,CACNA1S}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein",Kinase,"Voltage-gated ion channel",Lyase,Transferase,Oxidoreductase,"Protein Kinase","Potassium channels","Voltage-gated calcium channel","TK protein kinas
e group","Voltage-gated potassium channel","Atypical protein kinase group","STE protein kinase group","CMGC protein kinase group","TKL protein kinase group","AGC protein kinase group","Tyrosine protei
n kinase Syk family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","Atypical protein kinase BCR family","STE protein kinase STE20 famil
y","Tyrosine protein kinase Trk family","CMGC protein kinase MAPK family","TKL protein kinase RAF family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase Eph family","Tyrosine protein k
inase PDGFR family","Tyrosine protein kinase Tie family","CMGC protein kinase CLK family","Tyrosine protein kinase Csk family","TKL protein kinase MLK family","Tyrosine protein kinase JakA family","ST
E protein kinase STE7 family","AGC protein kinase DMPK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Met family","Tyrosine protein kinase InsR family","Tyrosine protein kinase 
Tec family","STE protein kinase SLK subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase GEK subfamily","STE protei
n kinase KHS subfamily","STE protein kinase TAO subfamily","TKL protein kinase HH498 subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Catalytic receptors","Voltage-gated ion channels","Carbonic anhydrases","Kinases (EC 2.7.x.x)","Receptor kinases","Potassium channels","STE: Homologs of yeast Steril
e 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","Lipid modifying kinases","TK: Tyrosine kinase","Voltage-gated potassium
 channels","STE20 family","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","CLK family","STE7 family","DMPK family","Type II PIP kinases (1-phosphatidylinositol-5-phosphat
e 4-kinase family)","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","SLK subfamily","JNK subfamily","RAF family","Mixed Lineage Kinase (MLK) family","p38 subfamily","GEK sub
family","KHS subfamily","TAO subfamily","Syk family","Type XVI RTKs: DDR (collagen receptor) family","Src family","Abl family","Type VII RTKs: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibr
oblast growth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Csk family
","MLK subfamily","Janus kinase (JakA) family","Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","HH498 subfamily","Type II RTKs: Insulin receptor family","Tec family"
}

> <pathway_reactome>
{"Immune System","Extracellular matrix organization",Disease,"Muscle contraction",Metabolism,"Signal Transduction","Developmental Biology","Gene expression (Transcription)","Transport of small molecul
es","Cell Cycle","Cellular responses to external stimuli","Adaptive Immune System","Non-integrin membrane-ECM interactions","Infectious disease","Cardiac conduction","Reversible hydration of carbon di
oxide","Innate Immune System","Signaling by Receptor Tyrosine Kinases","MAPK family signaling cascades","Diseases of signal transduction by growth factor receptors and second messengers","Nervous syst
em development","RNA Polymerase II Transcription","O2/CO2 exchange in erythrocytes",Mitotic,"Cytokine Signaling in Immune system","Cellular responses to stress","Biological oxidations","Intracellular 
signaling by second messengers","Metabolism of lipids","TCR signaling","HIV Infection","Phase 3 - rapid repolarisation","Leishmania infection","Neutrophil degranulation","Signaling by NTRKs","Toll-lik
e Receptor Cascades","MAPK1/MAPK3 signaling","Signaling by FGFR in disease","Axon guidance","Signaling by KIT in disease","Oncogenic MAPK signaling","Signaling by PDGFR in disease","Generic Transcript
ion Pathway","Erythrocytes take up carbon dioxide and release oxygen","Mitotic G1 phase and G1/S transition","Signaling by Insulin receptor","Signaling by Interleukins","Cellular response to hypoxia",
"Phase I - Functionalization of compounds","M Phase","PIP3 activates AKT signaling","Signaling by MST1","Phospholipid metabolism","Interferon Signaling","Generation of second messenger molecules","Hos
t Interactions of HIV factors","Parasite infection","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","RAF/MAP kinase cascade","Signaling by FGFR2 in disease","EPH-Ephrin signaling","D
rug resistance of KIT mutants","Signaling by ROBO receptors","Signaling by RAS mutants","Drug resistance of PDGFR mutants","Transcriptional regulation by RUNX1","Leishmania parasite growth and surviva
l","G1 Phase","Insulin receptor signalling cascade","Interleukin-12 family signaling","Regulation of gene expression by Hypoxia-inducible Factor","Transcriptional Regulation by TP53","Transcriptional 
Regulation by VENTX","Signaling by NTRK3 (TRKC)","RET signaling","Mitotic Metaphase and Anaphase","Semaphorin interactions","Negative regulation of the PI3K/AKT network","PTEN Regulation","PI Metaboli
sm","Interferon alpha/beta signaling","Signaling by FGFR1 in disease","The role of Nef in HIV-1 replication and disease pathogenesis","Leishmania phagocytosis","Activation of TRKA receptors","MyD88 ca
scade initiated on plasma membrane","Negative regulation of MAPK pathway","FGFR2 mutant receptor activation","EPHB-mediated forward signaling","Dasatinib-resistant KIT mutants","Role of ABL in ROBO-SL
IT signaling","EPHA-mediated growth cone collapse","Signaling downstream of RAS mutants","Signalling to ERKs","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR
 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Cyclin D associated events in G1","IRS-mediated signalling","Signalling to ERK5","Interleukin-12 signaling","Regulatio
n of TP53 Activity","Activated NTRK3 signals through PI3K","Mitotic Anaphase","Sema4D in semaphorin signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of PTEN stability and activi
ty","Synthesis of PIPs at the plasma membrane","Regulation of IFNA signaling","FGFR1 mutant receptor activation","Nef and signal transduction","FCGR3A-mediated phagocytosis","NGF-independant TRKA acti
vation","MAP kinase activation","Negative feedback regulation of MAPK pathway","Activated point mutants of FGFR2","Signalling to RAS","FCGR3A-mediated IL10 synthesis","Prolonged ERK activation events"
,"PI3K Cascade","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Regulation of TP53 Activity through Acetylation","Nef-mediates down modulation of cell surface rec
eptors by recruiting them to clathrin adapters","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","Signaling by activated point mutants of FGFR1","MAPK ta
rgets/ Nuclear events mediated by MAP kinases","p38MAPK events","ARMS-mediated activation","PI5P Regulates TP53 Acetylation","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transc
ription factors"}

> <broad_targets>
{ABL1,KIT}

> <broad_moa>
{"Abl kinase inhibitor","Bcr-Abl kinase inhibitor"}

> <synonyms>
{Nilotinib,641571-10-0,641571100,Tasigna,AMN107,"AMN 107",AMN-107,Nilotinib(AMN-107),Nilotinib(AMN107),"Nilotinib (AMN-107)","Nilotinib (AMN107)","Nilotinib free base",UNII-F41401512X,UNIIF41401512X,C
HEMBL255863,C28H22F3N7O,CHEBI:52172,Nilotinib-d6,Nilotinibd6,"641571-10-0 (free base)","641571100 (free base)",MFCD09833716,NSC747599,F41401512X,T1524,747599,S1033,"NSC 747599",nilotinib,NILOTINIB}

> <pdid>
PD003312

> <targets>
{Src-bcr-Abl,BCR-ABL,SRC}

> <classes>
{"BCR-ABL/c-kit/PDGF inhibitor"}

> <pubchem_cids>
{644241}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 50 53  0  0  1  0            999 V2000
   11.7060   -0.7866    0.0000 C   0  0
   10.4033   -1.5302    0.0000 C   0  0
    9.1082   -0.7735    0.0000 C   0  0
   10.3950   -3.0311    0.0000 C   0  0  2  0  0  0
   11.6924   -3.7856    0.0000 N   0  0
   12.9950   -3.0401    0.0000 C   0  0
   13.0002   -1.5401    0.0000 O   0  0
   14.2924   -3.7946    0.0000 N   0  0
   14.2871   -5.2946    0.0000 C   0  0
   15.5949   -3.0491    0.0000 C   0  0
   16.8923   -3.8037    0.0000 C   0  0
   18.2469   -3.1897    0.0000 C   0  0
   19.2448   -4.3096    0.0000 S   0  0
   18.4880   -5.6048    0.0000 C   0  0
   17.0225   -5.2852    0.0000 N   0  0
   19.0874   -6.9779    0.0000 C   0  0
   18.1977   -8.1855    0.0000 C   0  0
   20.5781   -7.1451    0.0000 C   0  0
    9.0924   -3.7765    0.0000 C   0  0
    9.0872   -5.2765    0.0000 O   0  0
    7.7951   -3.0220    0.0000 N   0  0
    6.4925   -3.7675    0.0000 C   0  0  2  0  0  0
    5.1951   -3.0130    0.0000 C   0  0
    5.1989   -1.5121    0.0000 C   0  0  2  0  0  0
    6.5000   -0.7658    0.0000 O   0  0
    3.9015   -0.7576    0.0000 C   0  0  2  0  0  0
    2.5981   -1.5017    0.0000 C   0  0
    1.3015   -0.7457    0.0000 C   0  0
   -0.0022   -1.4875    0.0000 C   0  0
   -1.2965   -0.7293    0.0000 C   0  0
   -1.2870    0.7707    0.0000 C   0  0
    0.0168    1.5125    0.0000 C   0  0
    1.3110    0.7543    0.0000 C   0  0
    3.9053    0.7432    0.0000 N   0  0
    5.2065    1.4911    0.0000 C   0  0
    6.5039    0.7383    0.0000 O   0  0
    5.2103    2.9920    0.0000 O   0  0
    6.5114    3.7399    0.0000 C   0  0
    6.5152    5.2407    0.0000 C   0  0
    7.7291    6.1000    0.0000 S   0  0
    7.2663    7.5268    0.0000 C   0  0
    5.7663    7.5275    0.0000 N   0  0
    5.3021    6.1011    0.0000 C   0  0
    6.4842   -5.2683    0.0000 C   0  0
    5.1807   -6.0123    0.0000 C   0  0
    5.1702   -7.5123    0.0000 C   0  0
    3.8660   -8.2533    0.0000 C   0  0
    2.5722   -7.4943    0.0000 C   0  0
    2.5826   -5.9943    0.0000 C   0  0
    3.8868   -5.2534    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  6
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 11  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
  4 19  1  0
 19 20  2  0
 19 21  1  0
 22 21  1  1
 22 23  1  0
 23 24  1  0
 24 25  1  1
 24 26  1  0
 26 27  1  6
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 26 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 39  2  0
 22 44  1  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 45  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12046

> <plate>
PLATE 014

> <well>
F6

> <supplier_cmpd_name>
Ritonavir

> <ctcr_id>
4324

> <supplier_cmpd_id>
T1525

> <smiles>
CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3scnc3)Cc4ccccc4

> <pd_targets>
{FTL,NPSR1,CYP2D6,CYP3A4,ABCB1,CYP2C19,CYP3A5,POL,UGT1A1,PROTEASE,CYP2B6,MAPK1,ABCB11,ALDH1A1,KMT2A,MEN1,CYP2C9,MAPT,RORC,AVPR1A,SLCO1B3,SLCO1B1,SLC47A2,OPRK1,TACR2,OPRM1,SLC47A1,SLC22A1,ABCC3,ABCB1A,
NR1I2,TBXAS1,SLCO2B1,SLC22A2,ABCG2,ABCC4}

> <pathway_gtopdb>
{"Unclassified protein","Membrane receptor",Enzyme,Transporter,"Epigenetic regulator","Other cytosolic protein","Transcription factor","Family A G protein-coupled receptor","Cytochrome P450","Primary 
active transporter",Protease,Transferase,Kinase,Oxidoreductase,Reader,"Nuclear receptor","Electrochemical transporter","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Cytochrome P450 fa
mily 3","ATP-binding cassette","Cysteine protease","Aspartic protease","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","Cytochrome P450 family 
5","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2D","Cytochrome P450 family 3A","ABCB subfamily","Cysteine protease CA clan","Cytochrome P450 family 2C","Aspartic protease AA clan"
,"Cysteine protease PAC clan","Cytochrome P450 family 2B","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","SLC21/SLCO family of organic anion transporting polypeptides","SLC
47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","ABCC subfamily","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 family
 5A","ABCG subfamily","Neuropeptide receptor","Cytochrome P450 2D6","Cytochrome P450 3A4","Cysteine protease C1A family","Cytochrome P450 2C19","Cytochrome P450 3A5","Aspartic protease A2A subfamily",
"Cysteine protease C3A subfamily","Cytochrome P450 2B6","CMGC protein kinase MAPK family","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group F member 3","Vasopressin and oxytocin recept
or","Opioid receptor","Neurokinin receptor","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 5A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Cytochrome P450","ATP-binding cassette transporter family","UDP glucuronosyltransferases (UGT)","Kinases (EC 2.7.x.x)","Nuclear hormone r
eceptors","SLC superfamily of solute carriers","Neuropeptide S receptor","CYP2 family: drug metabolising subset","CYP3 family","ABCB subfamily","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Ret
inoic acid-related orphans","Vasopressin and oxytocin receptors","SLCO family of organic anion transporting polypeptides","SLC47 family of multidrug and toxin extrusion transporters","Opioid receptors
","Tachykinin receptors","SLC22 family of organic cation and anion transporters","ABCC subfamily","1I. Vitamin D receptor-like receptors",CYP5,"CYP7 and CYP8 families","ABCG subfamily","Mitogen-activa
ted protein kinases (MAP kinases)","Organic cation transporters (OCT)","ERK subfamily"}

> <pathway_reactome>
{"Vesicle-mediated transport",Disease,Metabolism,"Immune System","Neuronal System","Gene expression (Transcription)","Signal Transduction","Transport of small molecules","Metabolism of proteins",Hemos
tasis,"Membrane Trafficking","Infectious disease","Biological oxidations","Metabolism of lipids","Abacavir transport and metabolism","Diseases of metabolism","Innate Immune System","Transmission acros
s Chemical Synapses","RNA Polymerase II Transcription","Signaling by GPCR","SLC-mediated transmembrane transport","Post-translational protein modification","Platelet activation","signaling and aggrega
tion","trans-Golgi Network Vesicle Budding","Leishmania infection","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Abacavir transmembrane transp
ort","Metabolic disorders of biological oxidation enzymes","Toll-like Receptor Cascades","Metabolism of steroids","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcripti
on Pathway","GPCR ligand binding","Transport of bile salts and organic acids","metal ions and amine compounds","GPCR downstream signalling",SUMOylation,"Transport of vitamins",nucleosides,"and related
 molecules","Response to elevated platelet cytosolic Ca2+","Golgi Associated Vesicle Biogenesis","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Biosynthesis 
of DHA-derived SPMs","Defective UGT1A1 causes hyperbilirubinemia","Toll Like Receptor 5 (TLR5) Cascade","Bile acid and bile salt metabolism","Ethanol oxidation","Activation of NMDA receptors and posts
ynaptic events","Transcriptional regulation by RUNX3","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by MECP2","G alpha (i) signalling events","Organic cation/anion/zwitterion tran
sport","SUMO E3 ligases SUMOylate target proteins","Transport of organic anions","Platelet degranulation","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Biosynthesis
 of maresins","MyD88 cascade initiated on plasma membrane","Synthesis of bile acids and bile salts","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Peptide
 ligand-binding receptors","Recycling of bile acids and salts","MECP2 regulates neuronal receptors and channels","Opioid Signalling","Organic cation transport","SUMOylation of intracellular receptors"
,Eicosanoids,"ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","MAP kinase activation","Synthesis of bile acids and bile salts via 7alpha
-hydroxycholesterol","Activation of AMPK downstream of NMDARs","Vasopressin-like receptors","Tachykinin receptors bind tachykinins","G-protein activation","MAPK targets/ Nuclear events mediated by MAP
 kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CYP1A2,CYP2B6,CYP2C19,CYP2C8,CYP2C9,CYP2D6,CYP2E1,CYP3A4,CYP3A5,CYP3A7}

> <broad_moa>
{"HIV protease inhibitor"}

> <synonyms>
{ritonavir,155213-67-5,155213675,Norvir,ABT-538,ABT538,"Abbott 84538",A-84538,A84538,ABBOTT-84538,ABBOTT84538,UNII-O3J8G9O825,UNIIO3J8G9O825,RTV,CHEBI:45409,O3J8G9O825,MFCD00927142,NSC693184,"Ritonavi
r, 98",NSC-693184,NCGC00159462-02,NCGC0015946202,NCGC00183130-01,NCGC0018313001,"Norvir Softgel",DSSTox_CID_28553,DSSToxCID28553,DSSTox-CID-28553,"DSSTox CID 28553",DSSTox_RID_82,DSSToxRID82,DSSTox-RI
D-82,"DSSTox RID 82",T1525,SAM001246783,Ritonavir,CPD000466395}

> <pdid>
PD001134

> <targets>
{Apoptosis,HIV,HIV Protease,SARS-CoV}

> <classes>
{Anti-infection,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{392622}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    1.8949   -4.8318    0.0000 C   0  0
    1.0157   -3.6164    0.0000 S   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 N   0  0
    0.0031    2.7742    0.0000 N   0  0
    1.3039    3.5228    0.0000 C   0  0
    1.3070    5.0236    0.0000 C   0  0
    2.5206    5.8834    0.0000 C   0  0
    2.0571    7.3100    0.0000 C   0  0
    0.5571    7.3100    0.0000 C   0  0
    0.0935    5.8834    0.0000 O   0  0
   -0.3261    8.5203    0.0000 N   0  3
   -1.8176    8.3614    0.0000 O   0  0
    0.2816    9.8917    0.0000 O   0  5
   -1.2135    0.3943    0.0000 C   0  0
   -2.6401    0.8578    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
 19  4  1  0
M  CHG  2  14   1  16  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12047

> <plate>
PLATE 014

> <well>
F7

> <supplier_cmpd_name>
Nifuratel

> <ctcr_id>
11099

> <supplier_cmpd_id>
T1526

> <smiles>
CSCC1CN(/N=C/c2ccc(o2)[N+](=O)[O-])C(=O)O1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"other antifungal"}

> <synonyms>
{NIFURATEL,4936-47-4,4936474,SCHEMBL1649685,AKOS026750134,A827706,Q3876717,"Nifuratel,5-Methylthiomethyl-3-(5-nitrofurfurylideneamino)-2-oxazolidone","Nifuratel,5Methylthiomethyl3(5nitrofurfurylidenea
mino)2oxazolidone",T1526,Nifuratel}

> <pdid>
PD012329

> <targets>
{Antibacterial}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{6507267}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    4.8001  -11.0647    0.0000 C   0  0
    3.9209   -9.8493    0.0000 C   0  0
    2.4288  -10.0030    0.0000 C   0  0
    1.5496   -8.7877    0.0000 C   0  0
    2.1626   -7.4186    0.0000 C   0  0
    3.6547   -7.2649    0.0000 C   0  0
    4.5339   -8.4803    0.0000 C   0  0
    1.2830   -6.2026    0.0000 S   0  0
   -0.2091   -6.3568    0.0000 O   0  0
    0.4032   -4.9877    0.0000 O   0  0
    1.8954   -4.8324    0.0000 N   0  0
    1.0157   -3.6164    0.0000 C   0  0
   -0.4763   -3.7706    0.0000 O   0  0
    1.6281   -2.2462    0.0000 N   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.4623    2.7009    0.0000 C   0  0
   -1.9623    2.7008    0.0000 C   0  0
   -2.4258    1.2743    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 17  1  0
 21 22  1  0
 22 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12048

> <plate>
PLATE 014

> <well>
F8

> <supplier_cmpd_name>
Gliclazide

> <ctcr_id>
2342

> <supplier_cmpd_id>
T1527

> <smiles>
Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2CC3CCCC3C2

> <pd_targets>
{ALDH1A1,FFP,ALD,LMNA,ABCC8,VEGFA}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transporter,"Secreted protein",Oxidoreductase,Transferase,"Primary active transporter","ATP-binding cassette","ABCC subfamily"}

> <pathway_chembl>
{Transporters,"ATP-binding cassette transporter family","ABCC subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Gene expression (Transcription)","Biological oxidations",Mitotic,"Disorders of transmembrane transporters","RNA Polymerase II Transcription","Phase I - Functionalizat
ion of compounds","M Phase","ABC transporter disorders","Generic Transcription Pathway","Ethanol oxidation","Mitotic Metaphase and Anaphase","Defective ABCC8 can cause hypo- and hyper-glycemias","Tran
scriptional regulation by the AP-2 (TFAP2) family of transcription factors","Mitotic Anaphase","TFAP2 (AP-2) family regulates transcription of growth factors and their receptors","Nuclear Envelope (NE
) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"ATP channel blocker","insulin secretagogue"}

> <synonyms>
{RESTW55,gliclazide,21187-98-4,21187984,Glimicron,1-(3-Azabicyclo(3.3.0)oct-3-yl)-3-(p-tolylsulfonyl)urea,1(3Azabicyclo(3.3.0)oct3yl)3(ptolylsulfonyl)urea,CHEBI:31654,1-(Hexahydrocyclopenta(c)pyrrol-2
(1H)-yl)-3-(p-tolylsulfonyl)urea,1(Hexahydrocyclopenta(c)pyrrol2(1H)yl)3(ptolylsulfonyl)urea,"Gliclazidum (INN-Latin)","Gliclazidum (INNLatin)","Gliclazida (INN-Spanish)","Gliclazida (INNSpanish)",MFC
D00409893,Gliclazida,S,T1527,1504145,Prestw-558,Gliclazide,GLICLAZIDE}

> <pdid>
PD001261

> <targets>
{Potassium Channel}

> <classes>
{adhesion inhibitor,antidiabetic,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{3475}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    5.0987   -1.6638    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 Cl  0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8994   -0.7523    0.0000 C   0  0
   -3.9020    0.7477    0.0000 O   0  0
   -5.1981   -1.5045    0.0000 N   0  0
   -6.4994   -0.7568    0.0000 C   0  0
   -7.1958    0.4025    0.0000 C   0  0
   -8.5033    0.4542    0.0000 N   0  0
   -9.7286   -0.6473    0.0000 C   0  0
   -9.0139   -1.8943    0.0000 C   0  0
   -7.8911   -0.7365    0.0000 C   0  0
   -8.3476    1.0332    0.0000 C   0  0
   -9.1122    1.9232    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9  3  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12049

> <plate>
PLATE 014

> <well>
F9

> <supplier_cmpd_name>
Azasetron hydrochloride

> <ctcr_id>
3427

> <supplier_cmpd_id>
T1528

> <smiles>
Cl.CN1C(=O)COc2c1cc(Cl)cc2C(=O)NC3CN4CCC3CC4

> <pd_targets>
{TDP1,HTR3A,HTR3B}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Hydrolase,"Ligand-gated ion channel","5HT3 receptor"}

> <pathway_chembl>
{"Ion channels","Ligand-gated ion channels","5-HT<sub>3</sub> receptors"}

> <pathway_reactome>
{"DNA Repair","Neuronal System","DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Nonhomologous End-Joining (NHEJ)","Neurotransmitter receptors and postsynaptic signal transmis
sion"}

> <broad_targets>
{HTR3A,HTR3B}

> <broad_moa>
{"serotonin receptor antagonist"}

> <synonyms>
{AKOS026750135,"azasetron hydrochloride",123040-16-4,123040164,"Azasetron HCl",Serotone,123040-69-7,123040697,Nazasetron,"Azasetron (hydrochloride)","Y-25130 hydrochloride","Y25130 hydrochloride","Aza
setron hydrochloride (JAN)",141922-90-9,141922909,SMR000466285,1329611-23-5,1329611235,C17H20ClN3O3.HCl,Y-2,Y2,T1528,SAM001247082,"Azasetron hydrochloride",CPD000466285}

> <pdid>
PD014471

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{67108127,115000}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 47 46  0  0  1  0            999 V2000
    9.0983   -0.7368    0.0000 C   0  0
    7.8003   -1.4887    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0  1  0  0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 C   0  0  2  0  0  0
   -3.9056    5.2465    0.0000 N   0  0
   -2.6109    7.4996    0.0000 C   0  0  1  0  0  0
   -1.3132    8.2519    0.0000 O   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -3.9149    9.7490    0.0000 C   0  0  1  0  0  0
   -2.6180   10.5043    0.0000 C   0  0
   -2.6227   12.0043    0.0000 C   0  0
   -1.3163    9.7588    0.0000 C   0  0
   -5.2157   10.4975    0.0000 C   0  0
   -6.5134    9.7452    0.0000 O   0  0
   -5.2188   11.9983    0.0000 N   0  0
   -6.5196   12.7469    0.0000 C   0  0
   -6.5227   14.2477    0.0000 C   0  0
   -5.2222   13.5002    0.0000 C   0  0
   -5.2250   15.0000    0.0000 C   0  0
   -7.8235   14.9963    0.0000 C   0  0
   -9.1213   14.2440    0.0000 N   0  0
   -7.8266   16.4963    0.0000 O   0  0
   -2.6039    2.9994    0.0000 C   0  0
   -3.9032    3.7490    0.0000 C   0  0
   -2.6039    1.4994    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   12.8990    8.2488    0.0000 O   0  0
   12.8990    6.7488    0.0000 C   0  0
   11.5997    5.9993    0.0000 O   0  0
   14.1990    5.9988    0.0000 C   0  0
   15.4989    6.7488    0.0000 C   0  0
   16.7989    5.9988    0.0000 C   0  0
   16.7989    4.4988    0.0000 O   0  0
   18.0982    6.7484    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  6
 15 17  1  0
 18 17  1  6
 18 19  1  0
 19 20  1  0
 19 21  1  0
 18 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  2  0
 11 32  1  0
 32 33  1  0
 32 34  1  0
  9 35  2  0
 35 36  1  0
 36 37  2  0
 37  7  1  0
 37 38  1  0
 38 39  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  1  0
 45 47  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12050

> <plate>
PLATE 014

> <well>
F10

> <supplier_cmpd_name>
Aliskiren hemifumarate

> <ctcr_id>
4084

> <supplier_cmpd_id>
T1520

> <smiles>
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC.OC(=O)\C=C\C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Aliskiren fumarate",173334-58-2,173334582,"173334-58-2 (hemifumarate)","173334582 (hemifumarate)",1196835-68-3,1196835683,MFCD27756642,173334-57-1,173334571,CHEMBL1667,MLS006010401,HMS3264I19,Pharma
kon1600-01505710,Pharmakon160001505710,NSC759185,AKOS025149418,CCG-213555,CCG213555,NE31131,NSC-759185,"Aliskiren hemifum",T1520,1505710,"Aliskiren hemifumarate","ALISKIREN HEMIFUMARATE"}

> <pdid>

> <targets>
{}

> <classes>
{"renin inhibitor"}

> <pubchem_cids>
{9939627}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  1  0            999 V2000
    5.1996   -1.4928    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3032   -3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  1
 10 12  1  0
 12  4  1  0
 12 13  1  6
 13 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12051

> <plate>
PLATE 014

> <well>
F11

> <supplier_cmpd_name>
Miglitol

> <ctcr_id>
574

> <supplier_cmpd_id>
T1529

> <smiles>
OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

> <pd_targets>
{GLB1,GAA,SI,LCT,MGAM,AGLA,GBA,AGL,GANAB,GANC,TDP1}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,"3.2.1.- Glycosidases"}

> <pathway_reactome>
{"Metabolism of proteins",Disease,"Digestion and absorption",Metabolism,"DNA Repair","Post-translational protein modification","Diseases of metabolism",Digestion,"Metabolism of lipids","Metabolism of 
carbohydrates","Infectious disease","DNA Double-Strand Break Repair","Asparagine N-linked glycosylation","Diseases of carbohydrate metabolism","Digestion of dietary carbohydrate","Sphingolipid metabol
ism","Glycogen metabolism","SARS-CoV Infections","Nonhomologous End-Joining (NHEJ)","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosaccharide","LLO) and transfer to a nascent prot
ein","Glycogen storage diseases","Intestinal saccharidase deficiencies","Glycosphingolipid metabolism","Glycogen breakdown (glycogenolysis)","SARS-CoV-1 Infection","Synthesis of substrates in N-glycan
 biosythesis","Glycogen storage disease type II (GAA)","Translation of structural proteins","Sialic acid metabolism","Maturation of spike protein"}

> <broad_targets>
{GAA,GANAB,GANC,MGAM}

> <broad_moa>
{"glucosidase inhibitor"}

> <synonyms>
{DTXSID0023323,MIGLITOL,72432-03-2,72432032,Glyset,"(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol","(2R,3R,4R,5S)1(2hydroxyethyl)2(hydroxymethyl)piperidine3,4,5triol",Bay-m-
1099,Baym1099,"Bay m 1099",UNII-0V5436JAQW,UNII0V5436JAQW,"Miglitol (Glyset)",Seibule,C8H17NO5,CHEMBL1561,0V5436JAQW,CHEBI:6935,Diastabol,1,5-dideo,5dideo,T1529,SAM001246745,Prestw-1169,Miglitol,CPD00
0466381}

> <pdid>
PD001201

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{441314}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  1  0            999 V2000
    1.0255   -3.6140    0.0000 O   0  0
    1.6332   -2.2426    0.0000 C   0  0
    3.1247   -2.0836    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 S   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  0
   -3.1255   -2.0835    0.0000 C   0  0  2  0  0  0
   -4.1114   -3.1971    0.0000 C   0  0
   -5.4796   -2.5822    0.0000 C   0  0
   -5.3176   -1.0910    0.0000 C   0  0
   -6.4288   -0.0834    0.0000 O   0  0
   -3.8493   -0.7842    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  4  2  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  8  9  1  0
  9 10  2  0
 11  9  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12052

> <plate>
PLATE 014

> <well>
G2

> <supplier_cmpd_name>
Pidotimod

> <ctcr_id>
6594

> <supplier_cmpd_id>
T1532

> <smiles>
OC(=O)[C@@H]1CSCN1C(=O)[C@@H]2CCC(=O)N2

> <pd_targets>
{MAPK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 5 (TLR5) Cascade","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear 
events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"interferon receptor agonist","interleukin receptor agonist"}

> <synonyms>
{Pidotimod,121808-62-6,121808626,"(R)-3-((S)-5-Oxopyrrolidine-2-carbonyl)thiazolidine-4-carboxylic acid","(R)3((S)5Oxopyrrolidine2carbonyl)thiazolidine4carboxylic acid",Pidotomod,PGT/1A,"Pidotimod (IN
N)",UNII-785363R681,UNII785363R681,NCGC00160516-01,NCGC0016051601,Polimod,785363R681,Pidotimodum,Pigitil,"Pidotimodum (INN-Latin)","Pidotimodum (INNLatin)",SMR000466390,CC,T1532,SAM001246762,CPD000466
390}

> <pdid>
PD001689

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{65944}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 26  0  0  0  0            999 V2000
   10.9296    9.5837    0.0000 C   0  0
   10.4634    8.1580    0.0000 C   0  0
   11.4654    7.0417    0.0000 C   0  0
    8.9950    7.8478    0.0000 C   0  0
    8.5286    6.4213    0.0000 C   0  0
    9.5305    5.3050    0.0000 O   0  0
    7.0602    6.1110    0.0000 O   0  0
    6.5937    4.6845    0.0000 C   0  0
    5.1253    4.3743    0.0000 C   0  0
    4.1205    5.4891    0.0000 C   0  0
    2.6532    5.1775    0.0000 O   0  0
    4.6588    2.9478    0.0000 O   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981    1.5000    0.0000 N   0  0
    7.9931    8.9640    0.0000 N   0  0
   13.9659    3.2919    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 14  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 17  1  0
 22 23  2  0
 20 24  1  0
  4 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12053

> <plate>
PLATE 014

> <well>
G3

> <supplier_cmpd_name>
Valganciclovir hydrochloride

> <ctcr_id>
3753

> <supplier_cmpd_id>
T1533

> <smiles>
CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{AKOS026750137,A812121,T1533,S4050,"Valganciclovir hydrochloride","Valganciclovir HCl"}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{135990057}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 36  0  0  1  0            999 V2000
   17.2143   -3.3527    0.0000 Br  0  5
    9.2392   -6.0548    0.0000 N   0  0
    7.9955   -5.2162    0.0000 C   0  0
    7.0969   -5.6549    0.0000 O   0  0
    8.1004   -3.7191    0.0000 C   0  0
    6.7539   -4.3758    0.0000 C   0  0  2  0  0  0
    6.4934   -5.8530    0.0000 C   0  0
    5.0080   -6.0618    0.0000 C   0  0
    4.3719   -4.7174    0.0000 N   0  0
    2.8945   -4.4538    0.0000 C   0  0
    2.3832   -3.0427    0.0000 C   0  0
    0.9057   -2.7791    0.0000 C   0  0
    0.3926   -1.3695    0.0000 C   0  0
   -1.0846   -1.1091    0.0000 C   0  0
   -2.0488   -2.2581    0.0000 C   0  0
   -3.5471   -2.3102    0.0000 O   0  0
   -3.9605   -3.7521    0.0000 C   0  0
   -2.7169   -4.5909    0.0000 C   0  0
   -1.5357   -3.6677    0.0000 C   0  0
   -0.0585   -3.9281    0.0000 C   0  0
    5.4294   -3.6716    0.0000 C   0  0
    6.8560   -2.8800    0.0000 C   0  0
    7.4659   -1.5096    0.0000 C   0  0
    6.5841   -0.2962    0.0000 C   0  0
    5.0923   -0.4532    0.0000 C   0  0
    4.4824   -1.8237    0.0000 C   0  0
    5.3643   -3.0370    0.0000 C   0  0
    9.4497   -3.0618    0.0000 C   0  0
    9.5550   -1.5655    0.0000 C   0  0
   10.9035   -0.9086    0.0000 C   0  0
   12.1467   -1.7480    0.0000 C   0  0
   12.0413   -3.2443    0.0000 C   0  0
   10.6928   -3.9012    0.0000 C   0  0
   14.7143   -3.3527    0.0000 H   0  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 19 20  2  0
 20 12  1  0
  9 21  1  0
 21  6  1  0
  5 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
  5 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
M  CHG  2   1  -1  34   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12054

> <plate>
PLATE 014

> <well>
G4

> <supplier_cmpd_name>
Darifenacin HBr

> <ctcr_id>
3877

> <supplier_cmpd_id>
T1534

> <smiles>
[Br-].NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c4ccccc4)c5ccccc5.[H+]

> <pd_targets>
{CHRM2,CHRM1,CHRM3,ADRB1,GPM3,ADRB2,DRD2,CHRM4,CHRM5,KCNH2,KCNE1,KCNQ1,KCND3,SCN5A}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Family A G protein-coupled receptor","Voltage-gated ion channel","Small molecule receptor (family A GPCR)","Potassium channels","Voltage-gated sodium channel","Mono
amine receptor","Voltage-gated potassium channel","Acetylcholine receptor","Adrenergic receptor","Dopamine receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Acetylcholine receptors (muscarinic)",Adrenoceptors,"Dopamine receptors","Potassium channels","Voltage-gated sodiu
m channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Muscle contraction","Developmental Biology","Signaling by GPCR","Infectious disease","Cardiac conduction","Nervous system development","GPCR ligand binding","Leishmania
 infection","Phase 3 - rapid repolarisation","Phase 1 - inactivation of fast Na+ channels","Axon guidance","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","L1CAM inter
actions","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Interaction between L1 and Ankyrins","Muscarinic acetylcholine receptors","ADORA2B media
ted anti-inflammatory cytokines production","Dopamine receptors"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"Darifenacin hydrobromide","darifenacin HBr",133099-07-7,133099077,"133099 07 7","Darifenacin (hydrobromide)",Emselex,UNII-CR02EYQ8GV,UNIICR02EYQ8GV,"UNII CR02EYQ8GV",CR02EYQ8GV,CHEBI:31455,"UK-88525
-04 (HYDROBROMIDE)","UK8852504 (HYDROBROMIDE)","UK8852504 (HYD",S3146,S3144,Prestw-1514,"Tripelennamine HCl","Darifenacin HBr"}

> <pdid>
PD009993

> <targets>
{AChR,"Histamine Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{444030,59800324,60208591}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 12  0  0  0  0            999 V2000
    7.6894   -2.2554    0.0000 Na  0  3
    2.5909   -6.0056    0.0000 O   0  5
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12055

> <plate>
PLATE 014

> <well>
G5

> <supplier_cmpd_name>
Sodium Phenylbutyrate

> <ctcr_id>
3284

> <supplier_cmpd_id>
T1535

> <smiles>
[Na+].[O-]C(=O)CCCc1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PHENYLBUTYRAT,"Sodium 4-phenylbutyrate","Sodium 4phenylbutyrate","SODIUM PHENYLBUTYRATE",1716-12-7,1716127,"sodium 4-phenylbutanoate","sodium 4phenylbutanoate",Buphenyl,TriButyrate,Ammonaps,"Benzeneb
utanoic acid, sodium salt",sodium;4-phenylbutanoate,sodium;4phenylbutanoate,4PBA,"4-Phenylbutyric Acid Sodium Salt","4Phenylbutyric Acid Sodium Salt","4-phenylbutyric aci","4phenylbutyric aci",T1535,S
4125,1300040,"Sodium Phenylbutyrate",4-Phenylbutyrate}

> <pdid>

> <targets>
{HDAC}

> <classes>
{antihyperammonemic,"DNA Damage"}

> <pubchem_cids>
{5258}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 65 68  0  0  0  0            999 V2000
    1.9161   10.5654    0.0000 C   0  0
    3.3245   10.0492    0.0000 O   0  0
    3.5827    8.5707    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    6.1429    9.0124    0.0000 O   0  0
    1.5337    5.1698    0.0000 C   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
    0.8000    1.1200    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    3.4300    0.8000    0.0000 C   0  0
    3.8662    2.2352    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    4.0188   -3.2852    0.0000 O   0  0
    3.3799   -4.6424    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    6.2500   -5.8600    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.7377    1.1027    0.0000 C   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -8.4778    1.8763    0.0000 O   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  2  3
 35 36  1  0
 36 37  2  3
 37 38  1  0
 38 39  2  3
 39 40  1  0
 39 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 48 50  1  0
 50 43  1  0
 48 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 55  1  0
 60 61  1  0
 61 62  2  0
 61 63  1  0
 63 13  1  0
 41 64  1  0
 64 65  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12056

> <plate>
PLATE 014

> <well>
G6

> <supplier_cmpd_name>
Rapamycin

> <ctcr_id>
3116

> <supplier_cmpd_id>
T1537

> <smiles>
COC1CC(CCC1O)CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC

> <pd_targets>
{FKBP1B,MAPT,FFP,FTL,TGR,RORC,FKBP1A,MTOR,NR1I2,FKBP5,EIF4E,ATP2A1,PDCD4,CYP2C9,CYP3A4,SLCO1B1,ABCB1,CYP2C19,FGF2}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Unclassified protein","Transcription factor","Other nuclear protein",Transporter,"Secreted protein",Isomerase,Transferase,"Nuclear receptor",Kinase,"Primary active t
ransporter","Cytochrome P450","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Protein Kinase","P-type ATPase","Cytochrome P450 family 2","Cytochrome P450 family 3","SLC superfami
ly of solute carriers","ATP-binding cassette","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group I","Calcium ATPase","Cytochrome
 P450 family 2C","Cytochrome P450 family 3A","SLC21/SLCO family of organic anion transporting polypeptides","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein k
inase PIKK family","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytochrome P450 2C19","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Peptidyl-prolyl cis/trans isomerases","Kinases (EC 2.7.x.x)","P-type ATPases","Cytochrome P450","SLC superfamily of solute carriers","ATP-b
inding cassette transporter family","1F. Retinoic acid-related orphans",Atypical,"1I. Vitamin D receptor-like receptors","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","CYP2 family: drug metabolising s
ubset","CYP3 family","SLCO family of organic anion transporting polypeptides","ABCB subfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Muscle contraction","Neuronal System","Vesicle-mediated transport","Gene expression (Transcription)",Disease,"Metabolism of proteins",Hemostasis,"Immune System",Metabolism,"Cardiac conduction","Tran
smission across Chemical Synapses","Membrane Trafficking","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Post-translational prote
in modification",Translation,"Platelet homeostasis","Cytokine Signaling in Immune system","Biological oxidations","Metabolism of lipids","Abacavir transport and metabolism","Ion homeostasis","Neurotra
nsmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Signaling by TGF-beta Receptor Complex in Cancer",SUMOylation,"Eukaryoti
c Translation Initiation","Platelet calcium homeostasis","Signaling by Interleukins","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism 
of steroids","Abacavir transmembrane transport","Signaling by FGFR in disease","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Transcriptional regulation 
by RUNX3","Loss of Function of TGFBR1 in Cancer","Transcriptional Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","Transcriptional Regulation by MECP2","Cap-dependent Translation Initi
ation","Reduction of cytosolic Ca++ levels","Interleukin-12 family signaling","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","Si
gnaling by FGFR3 in disease","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","TGFBR1 LBD Mutants in Cancer","Regulation of TP53 Activity","SUMOylation of in
tracellular receptors","MECP2 regulates neuronal receptors and channels","Activation of the mRNA upon binding of the cap-binding complex and eIFs","and subsequent binding to 43S","Interleukin-12 signa
ling",Xenobiotics,"Biosynthesis of maresins","Recycling of bile acids and salts","Signaling by FGFR3 point mutants in cancer","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression a
nd Degradation","Translation initiation complex formation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","
FGFR3 mutant receptor activation","Regulation of TP53 Degradation","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FKBP1A,MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{(RS)-rapamycin,(RS)rapamycin,"Rapamycin (Sirolimus)",28-epi-Rapamycin,28epiRapamycin,253431-35-5,253431355,SpecPlus_000840,SpecPlus000840,SpecPlus-000840,"SpecPlus 000840",DivK1c_006936,DivK1c006936,
DivK1c-006936,"DivK1c 006936","Rapamycin-d3 (Sirolimus-d3)","Rapamycind3 (Sirolimusd3)",CHEMBL3560003,KBio1_001880,KBio1001880,KBio1-001880,"KBio1 001880",HMS3265I15,HMS3265I16,HMS3265J15,HMS3265J16,3
92711-19-2,392711192,MCULE-7980881185,MCULE7980881185,Q27163,"EMD 553210",S1039,A-275,553210,Rapamycin(Sirolimus),Rapamycin}

> <pdid>
PD003274

> <targets>
{mTOR}

> <classes>
{}

> <pubchem_cids>
{5040}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 49 50  0  0  1  0            999 V2000
   36.5060    1.2051    0.0000 Ca  0  2
    8.1094    0.0102    0.0000 C   0  0
    9.6094    0.0150    0.0000 O   0  0
    7.3541    1.3071    0.0000 C   0  0  2  0  0  0
    5.8532    1.3040    0.0000 C   0  0
    5.1047    0.0031    0.0000 C   0  0
    5.8570   -1.2946    0.0000 O   0  0
    3.6065    0.0000    0.0000 N   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.7248    1.2135    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    8.1026    2.6079    0.0000 C   0  0
    9.6034    2.6111    0.0000 C   0  0
   10.3534    3.9101    0.0000 C   0  0
   11.8534    3.9102    0.0000 C   0  0
   12.6035    2.6112    0.0000 C   0  0
   11.8536    1.3121    0.0000 C   0  0
   10.3536    1.3120    0.0000 C   0  0
    7.3640   -1.2914    0.0000 O   0  5
   34.0060    1.2051    0.0000 O   0  0
   24.5120    0.0102    0.0000 C   0  0
   26.0120    0.0150    0.0000 O   0  0
   23.7566    1.3071    0.0000 C   0  0  2  0  0  0
   22.2558    1.3040    0.0000 C   0  0
   21.5072    0.0031    0.0000 C   0  0
   22.2595   -1.2946    0.0000 O   0  0
   20.0090    0.0000    0.0000 N   0  0
   19.1273   -1.2135    0.0000 C   0  0
   17.7016   -0.7500    0.0000 C   0  0  2  0  0  0
   17.7016    0.7500    0.0000 C   0  0  2  0  0  0
   19.1273    1.2135    0.0000 C   0  0
   16.4025    1.5000    0.0000 C   0  0
   15.1035    0.7500    0.0000 C   0  0
   15.1035   -0.7500    0.0000 C   0  0
   16.4025   -1.5000    0.0000 C   0  0
   24.5051    2.6079    0.0000 C   0  0
   26.0059    2.6111    0.0000 C   0  0
   26.7560    3.9101    0.0000 C   0  0
   28.2560    3.9102    0.0000 C   0  0
   29.0060    2.6112    0.0000 C   0  0
   28.2561    1.3121    0.0000 C   0  0
   26.7561    1.3120    0.0000 C   0  0
   23.7665   -1.2914    0.0000 O   0  5
   31.5060    1.2051    0.0000 O   0  0
  2  3  2  0
  2  4  1  0
  4  5  1  6
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
 10  9  1  1
 10 11  1  0
 11 12  1  1
 12  8  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 10  1  0
  4 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
  2 24  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  6
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 34 33  1  1
 34 35  1  0
 35 36  1  1
 36 32  1  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 34  1  0
 28 41  1  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 42  1  0
 26 48  1  0
M  CHG  3   1   2  24  -1  48  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12057

> <plate>
PLATE 014

> <well>
G7

> <supplier_cmpd_name>
Mitiglinide calcium

> <ctcr_id>
11100

> <supplier_cmpd_id>
T1530

> <smiles>
[Ca+2].C(=O)([C@H](CC(=O)N1C[C@@H]2[C@H](C1)CCCC2)Cc1ccccc1)[O-].O.C(=O)([C@H](CC(=O)N1C[C@@H]2[C@H](C1)CCCC2)Cc1ccccc1)[O-].O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Mitiglinide calcium dihydrate","Mitiglinide calcium hydrate",Glufast,UNII-9651C21W3Z,UNII9651C21W3Z,9651C21W3Z,NCGC00167578-01,NCGC0016757801,207844-01-7,207844017,Kad-1229,Kad1229,Glinsuna,"Glufast
 (TN)",DSSTox_CID_26728,DSSToxCID26728,DSSTox-CID-26728,"DSSTox CID 26728",DSSTox_RID_81858,DSSToxRID81858,DSSTox-RID-81858,"DSSTox RID 81858",DSSTox_GSID_46728,DSSToxGSID46728,DSSTox-GSID-46728,"DSST
ox GSID 46728",CHEMBL1603301,DTXSID504,T1530,"Mitiglinide calcium"}

> <pdid>

> <targets>
{"Potassium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{6918235}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
  -12.2427   -6.1050    0.0000 C   0  0
  -10.8025   -6.5245    0.0000 O   0  0
  -10.4446   -7.9820    0.0000 C   0  0
  -11.5295   -9.0179    0.0000 C   0  0
  -11.1748  -10.4754    0.0000 C   0  0
   -9.7353  -10.8970    0.0000 C   0  0
   -8.6504   -9.8611    0.0000 C   0  0
   -9.0050   -8.4035    0.0000 C   0  0
   -7.9175   -7.3693    0.0000 O   0  0
   -6.4777   -7.7931    0.0000 C   0  0
   -5.3902   -6.7589    0.0000 C   0  0
   -3.9504   -7.1827    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 N   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 C   0  0
   -3.2175   -4.6910    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  -12.2582  -11.5141    0.0000 C   0  0
  -13.6984  -11.0950    0.0000 C   0  0
  -11.9014  -12.9710    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
 28 19  1  0
 28 22  1  0
  5 29  1  0
 29 30  1  0
 29 31  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12058

> <plate>
PLATE 014

> <well>
G8

> <supplier_cmpd_name>
Iloperidone

> <ctcr_id>
5957

> <supplier_cmpd_id>
T1539

> <smiles>
COc1cc(ccc1OCCCN2CCC(CC2)c3noc4cc(F)ccc34)C(C)=O

> <pd_targets>
{HTR6,DRD2,DRD5,HTR2A,DRD3,ADRA2B,HTR1A,SIGMAR1,HTR7,CHRM2,ADRA2C,HTR2C,CCKBR,HTR2B,ADRA2A,ADRA1A,SLC6A3,CHRM4,HTR1D,HRH1,SLC6A2,CHRM1,ABCB11,DRD4}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Family A G protein-coupled receptor","Electrochemical transporter","Primary active transporter","Small molecule receptor (family A GPCR)","Peptide receptor (family A 
GPCR)","SLC superfamily of solute carriers","ATP-binding cassette","Monoamine receptor","Short peptide receptor (family A GPCR)","SLC06 neurotransmitter transporter family","ABCB subfamily","Serotonin
 receptor","Dopamine receptor","Adrenergic receptor","Acetylcholine receptor","Cholecystokinin receptor","Histamine receptor"}

> <pathway_chembl>
{Receptors,"Other protein targets",Transporters,"G protein-coupled receptors","Sigma receptors","SLC superfamily of solute carriers","ATP-binding cassette transporter family","5-Hydroxytryptamine rece
ptors","Dopamine receptors",Adrenoceptors,"Acetylcholine receptors (muscarinic)","Cholecystokinin receptors","SLC6 neurotransmitter transporter family","Histamine receptors","ABCB subfamily","Monoamin
e transporter subfamily"}

> <pathway_reactome>
{Disease,"Signal Transduction",Metabolism,"Infectious disease","Signaling by GPCR","Disorders of transmembrane transporters","Metabolism of lipids","Leishmania infection","GPCR ligand binding","SARS-C
oV Infections","GPCR downstream signalling","SLC transporter disorders","Metabolism of steroids","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Potential therapeutic
s for SARS","G alpha (q) signalling events","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)","Bile acid and bile salt metabolism
","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Gastrin-CREB signalling pathway via PKC and MAPK","Synthesis of bile acids and bile salts","ADO
RA2B mediated anti-inflammatory cytokines production","Dopamine receptors","Serotonin receptors",Adrenoceptors,"Muscarinic acetylcholine receptors","Histamine receptors","Synthesis of bile acids and b
ile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{ADRA1A,ADRA2C,DRD1,DRD2,DRD3,DRD4,HRH1,HTR1A,HTR2A,HTR6,HTR7}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{Iloperidone,133454-47-4,133454474,Zomaril,Fanapt,Fanapta,"HP 873",HP-873,HP873,"Iloperidone (Fanapt)",UNII-VPO7KJ050N,UNIIVPO7KJ050N,C24H27FN2O4,VPO7KJ050N,CHEMBL14376,CHEBI:65173,NCGC00188864-01,NCG
C0018886401,DSSTox_CID_28986,DSSToxCID28986,DSSTox-CID-28986,"DSSTox CID 28986",DSSTox_RID_83251,DSSToxRID83251,DSSTox-RID-83251,"DSSTox RID 83251",DSSTox_GSID_49060,DSSToxGSID49060,DSSTox-GSID-49060,
"DSSTox GSID 49060",Fiapta,SMR002529575,Fanap,T1539,S1483}

> <pdid>
PD009344

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{71360}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 33  0  0  0  0            999 V2000
    2.5981    0.0000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0027   -4.4953    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
    3.8971   -0.7500    0.0000 C   0  0
    5.1962   -1.5000    0.0000 C   0  0
    5.1962   -3.0000    0.0000 C   0  0
    6.5611   -2.3779    0.0000 C   0  0
    3.8971   -3.7500    0.0000 C   0  0
    4.2297   -5.2071    0.0000 C   0  0
    4.8491   -6.5669    0.0000 C   0  0
    5.7224   -5.3544    0.0000 C   0  0
    6.3238   -3.9802    0.0000 C   0  0
    7.6134   -3.1390    0.0000 C   0  0
    8.8130   -4.0395    0.0000 C   0  0
    8.3272   -5.4587    0.0000 C   0  0
    9.1898   -6.6858    0.0000 O   0  0
    6.8274   -5.4352    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  9  1  0
 11 12  1  0
 12 13  1  0
 13  2  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 12  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 19  1  0
 21 22  1  0
 22 16  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12059

> <plate>
PLATE 014

> <well>
G9

> <supplier_cmpd_name>
Drospirenone

> <ctcr_id>
1803

> <supplier_cmpd_id>
T1541

> <smiles>
CC12CCC(=O)C=C1C3CC3C4C2CCC5(C)C4C6CC6C57CCC(=O)O7

> <pd_targets>
{PGR,AR,ABCB11,ABCC4,NR3C2,NR3C1}

> <pathway_gtopdb>
{"Transcription factor",Transporter,"Nuclear receptor","Primary active transporter","Nuclear hormone receptor subfamily 3","ATP-binding cassette","Nuclear hormone receptor subfamily 3 group C","ABCB s
ubfamily","ABCC subfamily","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 2","Nucl
ear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,Transporters,"Nuclear hormone receptors","ATP-binding cassette transporter family","Steroid hormone receptors","ABCB subfamily","ABCC subfamily","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)",Metabolism,Hemostasis,"Post-translational protein modification","RNA Polymerase II Transcription","Metabolism of lipids","Platelet activatio
n","signaling and aggregation",SUMOylation,"Generic Transcription Pathway","Metabolism of steroids","Response to elevated platelet cytosolic Ca2+","SUMO E3 ligases SUMOylate target proteins","Transcri
ptional regulation by RUNX2","Bile acid and bile salt metabolism","Platelet degranulation","FOXO-mediated transcription","SUMOylation of intracellular receptors","RUNX2 regulates bone development","Sy
nthesis of bile acids and bile salts","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","RUNX2 regulates osteoblast differentiation","Synthesis of bile acids and bile sa
lts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{AR,NR3C2,PGR}

> <broad_moa>
{"mineralocorticoid receptor antagonist"}

> <synonyms>
{6-alfa-7-alfa-Drospirenone,6alfa7alfaDrospirenone,CHEMBL3186202,DTXSID30860831,STL450959,LS-15057,LS15057,FT-0667800,FT0667800,FT-0667802,FT0667802,93920-59-3,93920593,T1541,S1377,Drospirenone}

> <pdid>
PD000859

> <targets>
{"Estrogen/progestogen Receptor"}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{12803450}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
   14.4405   -0.0952    0.0000 Cl  0  0
   11.9405   -0.0952    0.0000 Cl  0  0
    9.4398   -3.4951    0.0000 C   0  0
    7.9774   -3.1613    0.0000 N   0  0
    6.9571   -4.2609    0.0000 C   0  0
    5.4947   -3.9271    0.0000 C   0  0
    5.0525   -2.4938    0.0000 N   0  0
    6.0729   -1.3942    0.0000 C   0  0
    7.5353   -1.7280    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    4.1718    0.3758    0.0000 O   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.5242    2.0130    0.0000 O   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 13  1  0
 28 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12060

> <plate>
PLATE 014

> <well>
G10

> <supplier_cmpd_name>
Pirenzepine dihydrochloride

> <ctcr_id>
4436

> <supplier_cmpd_id>
T1542

> <smiles>
Cl.Cl.CN1CCN(CC1)CC(=O)N2c3ccccc3C(=O)Nc4cccnc24

> <pd_targets>
{LMNA,GMNN,CHRM1,CHRM2,CHRM3,ADORA3,MACHR-A,CHRM4,CHRM5,GPM3,CYP2D6,ARRB1,CYP1A2,ALDH1A1}

> <pathway_gtopdb>
{"Other nuclear protein","Unclassified protein","Membrane receptor",Enzyme,"Family A G protein-coupled receptor","Cytochrome P450",Oxidoreductase,"Small molecule receptor (family A GPCR)","Cytochrome 
P450 family 2","Cytochrome P450 family 1","Monoamine receptor","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Acetylcholine receptor","Adenosine re
ceptor","Cytochrome P450 2D6","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Acetylcholine receptors (muscarinic)","Adenosine receptors","CYP2 family: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction",Metabolism,Disease,Mitotic,"Signaling by GPCR","Biological oxidations","Diseases of signal transduction by growth factor receptors and second messengers","M Phase",
"Mitotic G1 phase and G1/S transition","GPCR ligand binding","Phase I - Functionalization of compounds","Oncogenic MAPK signaling","Mitotic Metaphase and Anaphase","G1/S Transition","Class A/1 (Rhodop
sin-like receptors)","Cytochrome P450 - arranged by substrate type","Signaling by RAS mutants","Ethanol oxidation","Mitotic Anaphase","Activation of the pre-replicative complex","Amine ligand-binding 
receptors","Nucleotide-like (purinergic) receptors",Xenobiotics,"Signaling downstream of RAS mutants","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Adenosine P1 receptors","
CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"Pirenzepine dihydrochloride","Pirenzepine hydrochloride",29868-97-1,29868971,Tabe,"Pirenzepine 2HCl",Gastrozepin,"Pirenzepine HCl","Pirenzepine (dihydrochloride)",Pirenzepinehydrochloride,UNII-10YM4
03FLS,UNII10YM403FLS,LS519,10YM403FLS,Bisvanil,Leb,T1542,1501138,Prestw-129,"PIRENZEPINE HYDROCHLORIDE"}

> <pdid>
PD009857

> <targets>
{mAChR}

> <classes>
{antiulcer,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{71405,24883431}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  0  0            999 V2000
   16.6971   -1.1159    0.0000 H   0  3
   14.1971   -1.1159    0.0000 Cl  0  5
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
   10.4007   -1.4818    0.0000 C   0  0
   11.6971   -0.7274    0.0000 C   0  0
   11.6919    0.7726    0.0000 C   0  0
   10.3903    1.5181    0.0000 C   0  0
    9.0939    0.7636    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  4 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 15  1  0
 24 19  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12061

> <plate>
PLATE 014

> <well>
G11

> <supplier_cmpd_name>
Naftifine hydrochloride

> <ctcr_id>
2156

> <supplier_cmpd_id>
T1543

> <smiles>
[H+].[Cl-].CN(C\C=C\c1ccccc1)Cc2cccc3ccccc23

> <pd_targets>
{SQLE,ATM,CRTN,ERG2,SIGMAR1,EBP}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Oxidoreductase,Kinase,Isomerase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Lanosterol biosynthesis pathway","Kinases (EC 2.7.x.x)","Sigma receptors",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family 
kinases"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Metabolism of lipids","Cell Cycle Checkpoints","Infectious disease","Metabolism of steroids","G1/S DNA Damage Checkpoints","SARS-CoV Infections","Regulation of choles
terol biosynthesis by SREBP (SREBF)","p53-Dependent G1/S DNA damage checkpoint","Potential therapeutics for SARS","Cholesterol biosynthesis","Activation of gene expression by SREBF (SREBP)","p53-Depen
dent G1 DNA Damage Response","Cholesterol biosynthesis via desmosterol","Stabilization of p53","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{}

> <broad_moa>
{"fungal squalene epoxidase inhibitor"}

> <synonyms>
{AKOS026750142,"NAFTIFINE HYDROCHLORIDE",65473-14-5,65473145,"Naftifine HCl",Naftin,Exoderil,Naftifungin,"Naftifine (hydrochloride)","AW 105-843","AW 105843",UNII-25UR9N9041,UNII25UR9N9041,CHEBI:7452,
Naftifin,MFCD00059047,25UR9N9041,N-trans-Cinnamyl-N-m,NtransCinnamylNm,T1543,Prestw-1063,"Naftifine hydrochloride"}

> <pdid>
PD010051

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{67108133,5281098}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 23  0  0  0  0            999 V2000
    7.5987    1.1216    0.0000 Na  0  3
    5.0987    1.1216    0.0000 Na  0  3
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3032   -3.7490    0.0000 O   0  0
    1.2947   -3.7531    0.0000 O   0  5
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -9.0976    3.7432    0.0000 O   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -6.4965    5.2441    0.0000 C   0  0
   -5.1964    5.9922    0.0000 O   0  0
   -7.7942    5.9963    0.0000 O   0  5
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  7 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
M  CHG  4   1   1   2   1  12  -1  24  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12062

> <plate>
PLATE 014

> <well>
H2

> <supplier_cmpd_name>
Olsalazine disodium

> <ctcr_id>
7296

> <supplier_cmpd_id>
T1544

> <smiles>
[Na+].[Na+].Oc1ccc(cc1C(=O)[O-])\N=N\c2ccc(O)c(c2)C(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"OLSALAZINE SODIUM",6054-98-4,6054984,"6054 98 4",Dipentum,"Olsalazine Disodium","Disodium 5,5'-azodisalicylate","Disodium 5,5'azodisalicylate","Disodium 5,5' azodisalicylate","Benzoic acid, 3,3'-azo
bis(6-hydroxy-, disodium salt","Benzoic acid, 3,3'azobis(6hydroxy, disodium salt",Benz,S4041,"Olsalazine Sodium"}

> <pdid>

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{135413505}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.1996   -1.4928    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.5205   -6.1100    0.0000 S   0  0
   -2.0570   -7.5366    0.0000 C   0  0
   -0.5570   -7.5366    0.0000 C   0  0
   -0.0934   -6.1100    0.0000 N   0  0
   -2.9351   -8.7506    0.0000 N   0  3
   -4.4272   -8.5964    0.0000 O   0  5
   -2.3230  -10.1200    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  2  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2  19   1  20  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12063

> <plate>
PLATE 014

> <well>
H3

> <supplier_cmpd_name>
Nitazoxanide

> <ctcr_id>
2715

> <supplier_cmpd_id>
T1546

> <smiles>
CC(=O)Oc1ccccc1C(=O)Nc2sc(cn2)[N+]([O-])=O

> <pd_targets>
{HTT,RORC,ALD,KMT2A,MEN1,NPC1,TP53,MAPT,PKM,FFP,AKR1B1,SMN1,CYP3A4,LMNA,TSHR,ALDH1A1,HSD17B10,NPSR1,RAB9A,PYK,LEF,MAPK1,PFOR}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor",Enzyme,"Epigenetic regulator",Transporter,"Other cytosolic protein","Other nuclear protein","Membrane receptor","Nuclear receptor",Reader,Transferase,Oxi
doreductase,"Cytochrome P450","Family A G protein-coupled receptor",Hydrolase,Protease,Kinase,"Nuclear hormone receptor subfamily 1",Bromodomain,"Methyl-lysine/arginine binding protein","Cytochrome P4
50 family 3","Peptide receptor (family A GPCR)","Metallo protease","Protein Kinase","Nuclear hormone receptor subfamily 1 group F","Tudor domain","Cytochrome P450 family 3A","Glycohormone receptor","S
hort peptide receptor (family A GPCR)","Metallo protease MAE clan","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Neuropeptide receptor","Me
tallo protease M34 family","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Nuclear hormone receptors","SLC superfamily of solute carriers","2.7.1.40 Pyruvate kinases","1.-.-.- Oxidoreductases","Cytochrome P450","G protein-coupled receptors","
Kinases (EC 2.7.x.x)","1F. Retinoic acid-related orphans","SLC65 NPC-type cholesterol transporters","CYP3 family","Glycoprotein hormone receptors","Neuropeptide S receptor","CMGC: Containing CDK",MAPK
,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Transport of small molecules","Cell Cycle","Neuronal System",Metabolism,"Metabolism of RNA",Disease,"Signal Transduction","Immune System","RNA Polymerase II Transcr
iption","Plasma lipoprotein assembly",remodeling,"and clearance","Cell Cycle Checkpoints","Transmission across Chemical Synapses","Metabolism of carbohydrates","Metabolism of lipids","Metabolism of no
n-coding RNA",Mitotic,"Infectious disease","Biological oxidations","Metabolism of amino acids and derivatives","Signaling by Rho GTPases","Innate Immune System","Generic Transcription Pathway","Plasma
 lipoprotein clearance","G1/S DNA Damage Checkpoints","Neurotransmitter receptors and postsynaptic signal transmission","Glucose metabolism","Metabolism of steroids","snRNP Assembly","Biosynthesis of 
specialized proresolving mediators (SPMs)","M Phase","Leishmania infection","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","Rho GTPase cycle","Uptake and actions of 
bacterial toxins","Toll-like Receptor Cascades","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","LDL clearance","p53-Dependent G1/S DNA damage checkpoint","Activation of NM
DA receptors and postsynaptic events",Glycolysis,"Metabolism of steroid hormones","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Ethanol
 oxidation","RHOBTB GTPase Cycle","Uptake and function of anthrax toxins","Toll Like Receptor 5 (TLR5) Cascade","Regulation of MECP2 expression and activity","RUNX3 Regulates Immune Response and Cell 
Migration","p53-Dependent G1 DNA Damage Response","Post NMDA receptor activation events","Pregnenolone biosynthesis","Biosynthesis of maresins","Mitotic Anaphase","Anti-inflammatory response favouring
 Leishmania parasite infection","RHOBTB3 ATPase cycle","MyD88 cascade initiated on plasma membrane","Stabilization of p53","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs"
,"Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope 
(NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"pyruvate ferredoxin oxidoreductase inhibitor"}

> <synonyms>
{NITAZOXANIDE,55981-09-4,55981094,Alinia,Nitazoxamide,"2-((5-nitrothiazol-2-yl)carbamoyl)phenyl acetate","2((5nitrothiazol2yl)carbamoyl)phenyl acetate",Daxon,"Nitazoxanidum (INN-Latin)","Nitazoxanidum
 (INNLatin)","Nitazoxanida (INN-Spanish)","Nitazoxanida (INNSpanish)","Benzamide, 2-(acetyloxy)-N-(5-nitro-2-thiazolyl)-","Benzamide, 2(acetyloxy)N(5nitro2thiazolyl)",2-((5-nitro-1,2((5nitro1,3-thiazo
l-2-yl)ca,3thiazol2yl)ca,T1546,SAM001246708,Nitazoxanide,CPD000466367}

> <pdid>
PD000850

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{41684}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 18  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 O   0  0
    1.8032    3.1233    0.0000 C   0  0
    0.3114    2.9665    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 O   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  4  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16  3  1  0
 16 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12064

> <plate>
PLATE 014

> <well>
H4

> <supplier_cmpd_name>
8-Methoxypsoralen

> <ctcr_id>
1812

> <supplier_cmpd_id>
T1548

> <smiles>
COc1c2occc2cc3C=CC(=O)Oc13

> <pd_targets>
{CYP3A4,CYP2A13,MAOA,CYP2A6,ACHE,TSHR,CYP2C19,MAPK1,CYP2D6,LEF,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Cytochrome P450",Oxidoreductase,Hydrolase,"Family A G protein-coupled receptor",Kinase,Protease,"Cytochrome P450 family 3","Cytochrome P450 family 2","Peptide receptor (fa
mily A GPCR)","Protein Kinase","Metallo protease","Cytochrome P450 family 1","Cytochrome P450 family 3A","Cytochrome P450 family 2A","Glycohormone receptor","Cytochrome P450 family 2C","CMGC protein k
inase group","Cytochrome P450 family 2D","Metallo protease MAE clan","Cytochrome P450 family 1A","Cytochrome P450 3A4","Cytochrome P450 2A6","Cytochrome P450 2C19","CMGC protein kinase MAPK family","C
ytochrome P450 2D6","Metallo protease M34 family","Cytochrome P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Catecholamine turnover","Acetylcholine turnover","G protein-coupled receptors","Kinases (EC 2.7.x.x)","CYP3 family","CYP2 family: drug metabolising subset","Glyco
protein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Immune System","Metabolism of lipids","Biological oxidations","Infectious disease","Innate Immune System","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Fu
nctionalization of compounds","Phospholipid metabolism","Leishmania infection","Toll-like Receptor Cascades","Uptake and actions of bacterial toxins","Biosynthesis of DHA-derived SPMs","Cytochrome P45
0 - arranged by substrate type","Amine Oxidase reactions","Glycerophospholipid biosynthesis","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Uptake and function of ant
hrax toxins","Biosynthesis of maresins",Xenobiotics,"Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Synthesis of PC","Anti-inflammatory response favouring Leishmania parasi
te infection","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Aro
matic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CYP1A1,CYP1A2,CYP2A13,CYP2A6,CYP3A4}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{8MO,methoxsalen,8-Methoxypsoralen,8Methoxypsoralen,298-81-7,298817,XANTHOTOXIN,Ammoidin,Meladinine,Xanthotoxine,8-MOP,8MOP,Meloxine,Oxsoralen,"9-Methoxy-7H-furo(3,2-g)chromen-7-one","9Methoxy7Hfuro(3
,2g)chromen7one",Meladinin,Oxypsoralen,Puvalen,Meladoxen,Ammodin,Uvadex,Methoxa-Dome,MethoxaDome,8-Methoxypsoralene,8Methoxypsoralene,Ox,T1548,45923,NSC45923,SAM002548974,1500400,"NSC 45923
NSC 45923",Methoxsalen,CPD000071170,METHOXSALEN}

> <pdid>
PD001860

> <targets>
{Cytochrome P450}

> <classes>
{DNA photoadsorption,pigmentation agent,antipsoriatic,Metabolic Enzyme/Protease}

> <pubchem_cids>
{4114}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 23  0  0  0  0            999 V2000
   11.9554   -0.4782    0.0000 H   0  3
    9.4554   -0.4782    0.0000 Cl  0  5
    6.9546   -4.2653    0.0000 C   0  0
    5.4929   -3.9285    0.0000 N   0  0
    4.4707   -5.0263    0.0000 C   0  0
    5.0525   -2.4938    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23  9  1  0
 23 18  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12065

> <plate>
PLATE 014

> <well>
H5

> <supplier_cmpd_name>
Doxepin hydrochloride

> <ctcr_id>
6207

> <supplier_cmpd_id>
T1540

> <smiles>
[H+].[Cl-].CN(C)CC\C=C/1c2ccccc2COc3ccccc13

> <pd_targets>
{CHRM2,SLC6A4,CHRM5,SLC6A2,CHRM3,HRH1,HTR2A,ADRA2C,CHRM4,SLC6A3,CHRM1,HTR1A,ADRA1A,CYP2D6,ADRA2A,ADRA2B,ADRA1B,ADRA1D,RORC,TGR,HTR1B,HTR1D,HTR1F,HTR2B,HTR2C,HTR3A,HTR3B,HTR4,HTR5A,HTR5B,HTR6,HTR7,HRH2
,SIGMAR1,DRD3,SLC22A1,HRH4,KCNH2,NFKB1,PMP22,RECQL,KDM4E,ALDH1A1,TSHR,CYP1A2,KMT2A,MEN1,LMNA,DRD2}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,Enzyme,"Family A G protein-coupled receptor","Electrochemical transporter","Cytochrome P450","Small molecule receptor (family A GPCR)","SLC superfamily of solute carri
ers","Cytochrome P450 family 2","Monoamine receptor","SLC06 neurotransmitter transporter family","Cytochrome P450 family 2D","Acetylcholine receptor","Histamine receptor","Serotonin receptor","Adrener
gic receptor","Cytochrome P450 2D6","Transcription factor","Ion channel","Other cytosolic protein","Unclassified protein","Epigenetic regulator","Other nuclear protein","Nuclear receptor","Voltage-gat
ed ion channel",Eraser,Oxidoreductase,Reader,"Nuclear hormone receptor subfamily 1","Potassium channels","Lysine demethylase","Peptide receptor (family A GPCR)","Cytochrome P450 family 1",Bromodomain,
"Nuclear hormone receptor subfamily 1 group F","SLC22 family of organic cation and anion transporters","Voltage-gated potassium channel","Jumonji domain-containing","Glycohormone receptor","Cytochrome
 P450 family 1A","Nuclear hormone receptor subfamily 1 group F member 3","Dopamine receptor","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Cytochrome P450","Acetylcholine receptors (muscarinic)","SLC6 neurotransmitter transporter family","
Histamine receptors","5-Hydroxytryptamine receptors",Adrenoceptors,"CYP2 family: drug metabolising subset","Monoamine transporter subfamily","Other protein targets","Ion channels","Nuclear hormone rec
eptors","Sigma receptors","Voltage-gated ion channels","Chromatin modifying enzymes","1F. Retinoic acid-related orphans","Dopamine receptors","SLC22 family of organic cation and anion transporters","P
otassium channels","1.14.11.- Histone demethylases","Glycoprotein hormone receptors","CYP1 family","Organic cation transporters (OCT)","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Signal Transduction","Neuronal System",Disease,Metabolism,"Signaling by GPCR","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Biological oxidations","GPCR ligand b
inding","Neurotransmitter clearance","SLC transporter disorders","Phase I - Functionalization of compounds","Class A/1 (Rhodopsin-like receptors)","Serotonin clearance from the synaptic cleft","Defect
ive SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Cytochrome P450 - arranged by substrate type","Amine ligand-binding receptors",Xenobi
otics,"Muscarinic acetylcholine receptors","Histamine receptors","Serotonin receptors",Adrenoceptors,"CYP2E1 reactions","Gene expression (Transcription)","Transport of small molecules","Muscle contrac
tion","Immune System","Developmental Biology","Cell Cycle","RNA Polymerase II Transcription","Infectious disease","SLC-mediated transmembrane transport","Cardiac conduction","Cytokine Signaling in Imm
une system","Nervous system development",Mitotic,"Generic Transcription Pathway","Leishmania infection","SARS-CoV Infections","Transport of bile salts and organic acids","metal ions and amine compound
s","Phase 3 - rapid repolarisation","Signaling by Interleukins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Transcriptional regulation by RUNX3","Leishmania parasite gr
owth and survival","Potential therapeutics for SARS","Organic cation/anion/zwitterion transport","Interleukin-1 family signaling","Ethanol oxidation","Mitotic Metaphase and Anaphase","RUNX3 Regulates 
Immune Response and Cell Migration","Anti-inflammatory response favouring Leishmania parasite infection","Organic cation transport","Interleukin-1 signaling","Mitotic Anaphase","ADORA2B mediated anti-
inflammatory cytokines production","Dopamine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembl
y","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{HRH1,SLC6A2,SLC6A4}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{"Cidoxepin hydrochloride",UNII-XI27WMG8QK,UNIIXI27WMG8QK,"UNII XI27WMG8QK",1229-29-4,1229294,"1229 29 4",25127-31-5,25127315,"25127 31 5",P-4599,P4599,"P 4599",XI27WMG8QK,Curatin,Silenor,Adapin,"Cido
xepin hydrochloride (USAN)",Sinequan,"Doxepine h",T1540,SAM001246976,1500264,"Doxepin hydrochloride",CPD000449270,"DOXEPIN HYDROCHLORIDE"}

> <pdid>
PD009013

> <targets>
{}

> <classes>
{antidepressant}

> <pubchem_cids>
{5281088,92032367}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    4.4991   -8.4771    0.0000 O   0  0
    3.8490   -7.1253    0.0000 C   0  0
    4.6946   -5.8864    0.0000 C   0  0
    4.0445   -4.5346    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.7031   -5.6606    0.0000 C   0  0
    2.3532   -7.0124    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    0.3114   -2.9665    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.3452   -0.0184    0.0000 O   0  0
    4.8823   -2.5608    0.0000 C   0  0
    6.3506   -2.2538    0.0000 C   0  0
    7.3506   -3.3718    0.0000 C   0  0
    6.8824   -4.7969    0.0000 C   0  0
    7.8807   -5.9176    0.0000 O   0  0
    7.4102   -7.3427    0.0000 C   0  0
    8.4085   -8.4634    0.0000 C   0  0
    7.9380   -9.8886    0.0000 N   0  0
    8.9341  -11.0101    0.0000 C   0  0
    8.4610  -12.4335    0.0000 C   0  0
    6.9917  -12.7355    0.0000 C   0  0
    5.9956  -11.6141    0.0000 C   0  0
    6.4687  -10.1906    0.0000 C   0  0
    5.4142   -5.1039    0.0000 C   0  0
    4.4141   -3.9859    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
 17  8  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 27  1  0
 23 33  1  0
 33 34  2  0
 34 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12066

> <plate>
PLATE 014

> <well>
H6

> <supplier_cmpd_name>
Raloxifene hydrochloride

> <ctcr_id>
4185

> <supplier_cmpd_id>
T1549

> <smiles>
Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4

> <pd_targets>
{ESR1,MAPT,FFP,ALOX15,TP53,UBE2N,ESR2,LMNA,ALDH1A1,AMPC,NPSR1,FTL,HTT,LEF,BLM,NFO,NS1,HSD17B10,RORC,PMP22,GMNN,KMT2A,CYP3A4,HLA-A,MEN1,AOX1,PLD1,CYP2D6,ADRA1A,C5,CYP2C19,CYP2C9,NFKB1,HTR1B,GPER1,EBP,T
HPO,SIGMAR1,ERG2,TSHR,CHRM1,PLD2,ADRA1B,RECQL,NR1H4,HTR2B,ADRA2B,DRD3,TACR2,MTOR,SLC6A3,OPRD1,FYN,SLC6A4,NR1I2,ACHE,ADRA1D,OPRK1,OPRM1,HTR2C,ADRA2A,ADRA2C,HTR2A,SLC6A2,DRD2,HTR6,ADORA2A}

> <pathway_gtopdb>
{"Transcription factor","Other cytosolic protein",Enzyme,"Other nuclear protein","Membrane receptor","Unclassified protein","Epigenetic regulator","Surface antigen","Secreted protein",Transporter,"Nuc
lear receptor",Transferase,Oxidoreductase,Aminoacyltransferase,Hydrolase,"Family A G protein-coupled receptor",Protease,Reader,"Cytochrome P450",Isomerase,Kinase,"Electrochemical transporter","Nuclear
 hormone receptor subfamily 3","Peptide receptor (family A GPCR)","Metallo protease","Nuclear hormone receptor subfamily 1",Bromodomain,"Cytochrome P450 family 3","Cytochrome P450 family 2","Small mol
ecule receptor (family A GPCR)","Cysteine protease","Protein Kinase","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 3 group A","Short peptide receptor (family A GPCR)","Metal
lo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Monoamine receptor","Cytochrome P450 family 2C","Cysteine protease CA clan
","Lipid-like ligand receptor (family A GPCR)","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group H","Atypical protein kinase group","SLC06 neurotransmitter transporter family","TK pr
otein kinase group","Nuclear hormone receptor subfamily 1 group I","Nucleotide-like receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamil
y 3 group A member 2","Neuropeptide receptor","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cytochrome P450 2D6","Adrenergic receptor","C
ytochrome P450 2C19","Cytochrome P450 2C9","Cysteine protease C1A family","Serotonin receptor","Steroid-like ligand receptor","Acetylcholine receptor","Nuclear hormone receptor subfamily 1 group H mem
ber 4","Dopamine receptor","Neurokinin receptor","Atypical protein kinase PIKK family","Opioid receptor","Tyrosine protein kinase Src family","Nuclear hormone receptor subfamily 1 group I member 2","A
denosine receptor","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Nuclear hormone receptors","Eicosanoid turnover","G protein-coupled receptors","Chromatin modifying enzymes","Cytochrome P450","Glycerophosphol
ipid turnover","Sigma receptors","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Catalytic receptors","Acetylcholine turnover","Steroid hormone receptors",Lipoxygenases,"Neuropeptide S re
ceptor","1F. Retinoic acid-related orphans","2.1.1.43 Histone methyltransferases (HMTs)","CYP3 family","Phosphatidylcholine-specific phospholipase D","CYP2 family: drug metabolising subset",Adrenocept
ors,"5-Hydroxytryptamine receptors","G protein-coupled estrogen receptor","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","1H. Liver X receptor-like receptors","Dopamine recept
ors","Tachykinin receptors",Atypical,"SLC6 neurotransmitter transporter family","Opioid receptors","Receptor kinases","1I. Vitamin D receptor-like receptors","Adenosine receptors","3A. Estrogen recept
ors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter subfamily","TK: Tyrosine kinase","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Src family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System",Metabolism,"Cell Cycle","Immune System","Signal Transduction",Disease,"Vesicle-mediated transport","DNA Repair","Developmental Biology",Hemostasis,
"Metabolism of proteins","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Metabolism of lipids","Cell Cycle Checkpoints","Innate Immune System","Intracellular signaling by se
cond messengers",Mitotic,"Biological oxidations","Infectious disease","Membrane Trafficking","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives","Nervous system development","
Adaptive Immune System","Metabolism of vitamins and cofactors","Signaling by GPCR","Cytokine Signaling in Immune system","Platelet activation","signaling and aggregation","Disorders of transmembrane t
ransporters","Post-translational protein modification","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving media
tors (SPMs)","G1/S DNA Damage Checkpoints","Toll-like Receptor Cascades","PIP3 activates AKT signaling","M Phase","Phase I - Functionalization of compounds","Leishmania infection","trans-Golgi Network
 Vesicle Budding","Uptake and actions of bacterial toxins","Homology Directed Repair","Branched-chain amino acid catabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Mitotic G
1 phase and G1/S transition","Class I MHC mediated antigen processing & presentation","Metabolism of water-soluble vitamins and cofactors","Phospholipid metabolism","GPCR ligand binding","Signaling by
 Interleukins","Metabolism of steroids","Platelet Aggregation (Plug Formation)","SARS-CoV Infections","SLC transporter disorders","HIV Infection","Neurotransmitter clearance",SUMOylation,"GPCR downstr
eam signalling","Transcriptional regulation by RUNX1","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DPA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Toll Like Re
ceptor 4 (TLR4) Cascade","Negative regulation of the PI3K/AKT network","Mitotic Metaphase and Anaphase","Ethanol oxidation","Leishmania parasite growth and survival","Golgi Associated Vesicle Biogenes
is","Transcriptional Regulation by MECP2","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","G
1/S Transition","Biosynthesis of DHA-derived SPMs","Antigen processing-Cross presentation","Vitamins B6 activation to pyridoxal phosphate","Glycerophospholipid biosynthesis","Cytochrome P450 - arrange
d by substrate type","Class A/1 (Rhodopsin-like receptors)","Interleukin-1 family signaling","Cholesterol biosynthesis","Potential therapeutics for SARS","Bile acid and bile salt metabolism","Transcri
ptional Regulation by TP53","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Host Interactions of HIV factors","Serotonin clearance from the synaptic cleft","SUMO E3 ligases SUMOylat
e target proteins","G alpha (i) signalling events","Defective SLC6A2 causes orthostatic intolerance (OI)","RUNX1 regulates estrogen receptor mediated transcription","Post NMDA receptor activation even
ts","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response","MyD88-independent TLR4 cascade",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Mitotic Anaphase","Anti-inflammatory respons
e favouring Leishmania parasite infection","Regulation of MECP2 expression and activity","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cell Migration","Activation o
f the pre-replicative complex","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Biosynthesis of maresins","Endosomal/Vacuolar pathway","Synthesis of PA",Xenobio
tics,"Amine ligand-binding receptors","Peptide ligand-binding receptors","Interleukin-1 signaling","Cholesterol biosynthesis via desmosterol","Synthesis of bile acids and bile salts","Regulation of TP
53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","SUMOylation of intracellular receptors","Synthesis of PC","MECP2 regulates neuronal receptors and channels","Opioid Signal
ling","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins","Stabilization of p53","TRIF(TICAM1)-mediated TLR4 signaling","Nuclear Envelope (NE) Reassembl
y","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","CYP2E1 reactions",Adrenoceptors,"MAP3K8 (TPL2)-dependent 
MAPK1/3 activation","Serotonin receptors","Muscarinic acetylcholine receptors","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Dopamine receptors","Tachykinin receptors bind tachyk
inins","Regulation of TP53 Expression and Degradation","Nef and signal transduction","G-protein activation","Autodegradation of the E3 ubiquitin ligase COP1","IKK complex recruitment mediated by RIP1"
,"Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation"}

> <broad_targets>
{ESR1,ESR2}

> <broad_moa>
{"estrogen receptor antagonist","selective estrogen receptor modulator (SERM)"}

> <synonyms>
{raloxifene,84449-90-1,84449901,Keoxifene,Evista,"Raloxifenum (Latin)","Raloxifeno (Spanish)",Raloxifenum,Raloxifeno,"LY 139481",LY-139481,LY139481,UNII-YX9162EO3I,UNIIYX9162EO3I,Optruma,CHEMBL81,"Keo
xifene; LY 139481;",CHEBI:8772,YX9162EO3I,RAL,"Raloxifene (INN:BAN)",T1549,747974,"NSC 747974","Raloxifene hydrochloride",Raloxifene}

> <pdid>
PD004108

> <targets>
{}

> <classes>
{SERM}

> <pubchem_cids>
{5035}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  0  0            999 V2000
    5.1894   -6.0108    0.0000 C   0  0
    3.8917   -5.2586    0.0000 N   0  0
    2.5915   -6.0067    0.0000 C   0  0
    3.8934   -3.7577    0.0000 C   0  0
    2.5949   -3.0050    0.0000 C   0  0
    2.5966   -1.5042    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    5.1956   -1.5125    0.0000 N   0  0
   10.3023   -0.3804    0.0000 O   0  0
   10.3023   -1.8804    0.0000 C   0  0
    9.0030   -2.6300    0.0000 O   0  0
   11.6023   -2.6304    0.0000 C   0  0
   12.9023   -1.8804    0.0000 C   0  0
   12.9037   -0.3796    0.0000 C   0  0
   11.6051    0.3712    0.0000 O   0  0
   14.2030    0.3700    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
  6 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12067

> <plate>
PLATE 014

> <well>
H7

> <supplier_cmpd_name>
Chlorpheniramine maleate

> <ctcr_id>
6680

> <supplier_cmpd_id>
T1553

> <smiles>
CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Chlorpheniramine maleate",113-92-8,113928,Piriton,"Chlorphenamine Maleate",Antagonate,Kloromin,"Chlorphenamine hydrogen maleate","Chlorpheniramine (maleate)",MFCD00069225,Polaronil,C16H19ClN2.C4H4O4
,"Chlorphenamine maleates","Chloropheniramine male",T1553,T0785,T0205,S1816,SAM001247022,Prestw-117,"Dexchlorpheniramine Maleate","Brompheniramine hydrogen maleate","Chlorpheniramine Maleate",CPD00046
6271}

> <pdid>

> <targets>
{"Histamine Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{5281068,5284366}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 34  0  0  0  0            999 V2000
    3.9051    0.7424    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    5.1965   -1.5117    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 I   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -3.9056    5.2465    0.0000 O   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9111    8.2477    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 I   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -2.5908   -6.0056    0.0000 O   0  0
   -5.1894   -6.0109    0.0000 C   0  0
   -5.1872   -7.5109    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 I   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  4 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 13 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 24 33  2  0
 33 10  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12068

> <plate>
PLATE 014

> <well>
H8

> <supplier_cmpd_name>
Iohexol

> <ctcr_id>
5358

> <supplier_cmpd_id>
T1554

> <smiles>
CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

> <pd_targets>
{HIF1A}

> <pathway_gtopdb>
{"Transcription factor"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cellular responses to external stimuli","Cellular responses to stress","Cellular response to hypoxia","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
{}

> <broad_moa>
{"radiopaque medium"}

> <synonyms>
{RESTW51,iohexol,66108-95-0,66108950,Omnipaque,Nycodenz,Exypaque,Iohexolum,"Omnipaque 240","Omnipaque 70","Omnipaque 140","Omnipaque 180","Omnipaque 210","Omnipaque 300","Omnipaque 350","WIN 39424",UN
II-4419T9MX03,UNII4419T9MX03,CHEBI:31709,WIN-39424,WIN39424,4419T9MX03,NCGC00166000-01,NCGC0016600001,T1554,Prestw-512,Iohexol}

> <pdid>
PD009532

> <targets>
{Autophagy,Mitophagy}

> <classes>
{Autophagy}

> <pubchem_cids>
{3730}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
    7.7003   -2.2522    0.0000 Na  0  3
    3.8964    0.7545    0.0000 O   0  5
    3.8990   -0.7455    0.0000 C   0  0
    5.1996   -1.4928    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0128   -6.0039    0.0000 Cl  0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -2.5953   -1.4949    0.0000 Cl  0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 13  1  0
 19 20  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12069

> <plate>
PLATE 014

> <well>
H9

> <supplier_cmpd_name>
Diclofenac sodium

> <ctcr_id>
5514

> <supplier_cmpd_id>
T1555

> <smiles>
[Na+].[O-]C(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Diclofenac sodium",15307-79-6,15307796,"Diclofenac sodium salt","Sodium diclofenac",Voltaren,"Diclofenac (Sodium)","GP 45840",Solaraze,Feloran,Orthophen,Voltarol,Voltaren-XR,VoltarenXR,Arthrotec,Olf
en,UNII-QTG126297Q,UNIIQTG126297Q,"Sodium (o-(2","Sodium (o(2",6-dichloroanilino)phenyl)aceta,6dichloroanilino)phenyl)aceta,SAM001247057,1500237,Prestw-594,CPD000449318,"DICLOFENAC SODIUM"}

> <pdid>

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{5018304}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 62 65  0  0  1  0            999 V2000
   -6.3271    3.7329    0.0000 C   0  0
   -5.3685    4.8867    0.0000 N   0  0
   -5.8888    6.2935    0.0000 C   0  0
   -3.8890    4.6342    0.0000 C   0  0  1  0  0  0
   -3.3712    3.2264    0.0000 C   0  0
   -1.8931    2.9710    0.0000 C   0  0
   -0.9327    4.1234    0.0000 C   0  0  1  0  0  0
   -1.4507    5.5312    0.0000 O   0  0
   -2.9288    5.7866    0.0000 C   0  0  1  0  0  0
   -3.4467    7.1943    0.0000 C   0  0
    0.5456    3.8649    0.0000 O   0  0
    1.0618    2.4556    0.0000 C   0  0  1  0  0  0
    0.0977    1.3066    0.0000 C   0  0
    0.6114   -0.1036    0.0000 C   0  0
    2.0894   -0.3647    0.0000 C   0  0
    2.6031   -1.7748    0.0000 C   0  0
    4.0811   -2.0359    0.0000 C   0  0
    4.5949   -3.4461    0.0000 C   0  0  1  0  0  0
    3.6307   -4.5952    0.0000 C   0  0
    6.0728   -3.7072    0.0000 O   0  0
    7.0370   -2.5581    0.0000 C   0  0
    8.5142   -2.8184    0.0000 O   0  0
    6.5232   -1.1480    0.0000 C   0  0
    7.4874    0.0011    0.0000 C   0  0  1  0  0  0
    8.9649   -0.2625    0.0000 O   0  0
    9.9327    0.8846    0.0000 C   0  0
    9.4230    2.2953    0.0000 C   0  0
   11.4094    0.6211    0.0000 O   0  0
    6.9736    1.4113    0.0000 C   0  0  2  0  0  0
    7.9407    2.5590    0.0000 O   0  0
    7.4315    3.9699    0.0000 C   0  0
    5.4957    1.6724    0.0000 C   0  0  1  0  0  0
    4.0182    1.4087    0.0000 O   0  0
    3.5069   -0.0023    0.0000 C   0  0  2  0  0  0
    4.9850   -0.2578    0.0000 O   0  0
    5.5029   -1.6655    0.0000 C   0  0  2  0  0  0
    6.9810   -1.9209    0.0000 C   0  0
    4.5427   -2.8179    0.0000 C   0  0  1  0  0  0
    5.0638   -4.2254    0.0000 O   0  0
    6.5431   -4.4788    0.0000 C   0  0  1  0  0  0
    7.0659   -5.8848    0.0000 C   0  0
    8.5449   -6.1350    0.0000 C   0  0  1  0  0  0
   10.0294   -6.3503    0.0000 C   0  0
    7.5618   -7.2680    0.0000 O   0  0
    9.5011   -4.9793    0.0000 C   0  0  1  0  0  0
   10.9801   -5.2296    0.0000 O   0  0
    8.9784   -3.5734    0.0000 C   0  0  2  0  0  0
    9.9346   -2.4177    0.0000 C   0  0
    7.4994   -3.3231    0.0000 O   0  0
    3.0646   -2.5626    0.0000 C   0  0  1  0  0  0
    2.5467   -1.1548    0.0000 C   0  0  1  0  0  0
    1.0686   -0.8995    0.0000 O   0  0
    2.1063   -3.7176    0.0000 N   0  0
    2.6262   -5.1246    0.0000 C   0  0
    0.6277   -3.4648    0.0000 C   0  0
    4.9819    3.0825    0.0000 C   0  0  1  0  0  0
    5.9490    4.2302    0.0000 C   0  0
    5.4395    5.6419    0.0000 C   0  0
    6.4060    6.7890    0.0000 O   0  0
    3.5040    3.3436    0.0000 C   0  0
    2.5398    2.1945    0.0000 C   0  0  1  0  0  0
    3.0526    0.7849    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  4  2  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  9 10  1  6
  7 11  1  1
 12 11  1  6
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  6
 25 26  1  0
 26 27  1  0
 26 28  2  0
 24 29  1  0
 29 30  1  1
 30 31  1  0
 29 32  1  0
 32 33  1  1
 34 33  1  6
 34 35  1  0
 35 36  1  0
 36 37  1  6
 36 38  1  0
 38 39  1  1
 40 39  1  6
 40 41  1  0
 41 42  1  0
 42 43  1  1
 42 44  1  0
 42 45  1  0
 45 46  1  6
 45 47  1  0
 47 48  1  1
 47 49  1  0
 49 40  1  0
 38 50  1  0
 50 51  1  0
 51 34  1  0
 51 52  1  1
 50 53  1  6
 53 54  1  0
 53 55  1  0
 32 56  1  0
 56 57  1  6
 57 58  1  0
 58 59  2  0
 56 60  1  0
 60 61  1  0
 61 12  1  0
 61 62  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12070

> <plate>
PLATE 014

> <well>
H10

> <supplier_cmpd_name>
Acetylspiramycin

> <ctcr_id>
11101

> <supplier_cmpd_id>
T1557

> <smiles>
CN(C)[C@H]1CC[C@@H](O[C@H]1C)O[C@H]4C=CC=CC[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H]([C@H]3O)N(C)C)[C@@H](CC=O)C[C@H]4C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"other antibiotic"}

> <synonyms>
{T1557,Acetylspiramycin}

> <pdid>
PD014424

> <targets>
{"50S ribosome"}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{158330}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    1.6317   -2.2458    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -1.6281   -2.2462    0.0000 C   0  0
   -1.0157   -3.6164    0.0000 C   0  0
    0.4764   -3.7706    0.0000 O   0  0
   -1.8953   -4.8324    0.0000 C   0  0
   -1.2833   -6.2019    0.0000 Cl  0  0
   -2.6375    0.8602    0.0000 N   0  3
   -3.7540   -0.1415    0.0000 O   0  5
   -2.9472    2.3279    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
  5 12  1  0
 12 13  1  0
 12 14  2  0
M  CHG  2  12   1  13  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12071

> <plate>
PLATE 014

> <well>
H11

> <supplier_cmpd_name>
Ornidazole

> <ctcr_id>
2064

> <supplier_cmpd_id>
T1556

> <smiles>
Cc1ncc(n1CC(O)CCl)[N+]([O-])=O

> <pd_targets>
{AMPC}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"antiprotozoal agent"}

> <synonyms>
{Ornidazole,16773-42-5,16773425,Tiberal,"Ro 7-0207","Ro 70207",Ornidazolum,Madelen,Ornidazol,1-(3-Chloro-2-hydroxypropyl)-2-methyl-5-nitroimidazole,1(3Chloro2hydroxypropyl)2methyl5nitroimidazole,1-chl
oro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol,1chloro3(2methyl5nitro1Himidazol1yl)propan2ol,1-Chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)-2-propanol,1Chloro3(2methyl5nitro1Himidazol1yl)2propan
ol,T1556,SAM001246873,1505981,Prestw-164,CPD000058726,ORNIDAZOLE}

> <pdid>
PD000244

> <targets>
{}

> <classes>
{antiinfective}

> <pubchem_cids>
{28061}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -9.0975    0.7432    0.0000 O   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -6.4995    5.2432    0.0000 O   0  0
   -5.2004    2.9933    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12072

> <plate>
PLATE 015

> <well>
A2

> <supplier_cmpd_name>
Resveratrol

> <ctcr_id>
2636

> <supplier_cmpd_id>
T1558

> <smiles>
Oc1ccc(cc1)/C=C/c2cc(O)cc(O)c2

> <pd_targets>
{MAOB,APP,CYP1B1,RELA,DPP4,CYP19A1,CA2,CA4,KDM4E,STK33,TYR,POLB,MAL12,MAPT,RORC,ALDH1A1,HPGD,TP53,HTT,GFER,MAOA,NQO2,PTGS2,PTGS1,CA6,CA12,CA7,CA15,SIRT1,TTR,CA3,CA14,LMNA,RAB9A,SMN1,HIF1A,BLM,CYP3A4,H
SD17B10,KMT2A,MEN1,AKR1B1,ADRA1D,VACV_BRZ_SERRO2_026,PPO2,CA5B,CA13,AMPC,GAA,PRKCZ,NPC1,PAK1,PPARG,AHR,CA9,CA5A,CA1,PMP22,KDM1A,PYK,NFKB1,NFKB2,CYP1A1,PIK3CB,TRPA1,MTOR,PIK3CA,NOS2,SLC6A2,CYP2C19,ABCB
1,ODC1,CYP1A2,CYP2C9,ABL1,BCR,MYC,ESR1,TERT,NFE2L2,ALOX5,CBR1,AKT1,YARS1,CYP2D6,LEF,THPO,ALOX15,PKM,USP2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Transcription factor","Epigenetic regulator","Other cytosolic protein","Unclassified protein","Secreted protein","Other nuclear protein",Transporter,"Ion channel",Oxidored
uctase,"Cytochrome P450",Protease,Lyase,Eraser,Kinase,Hydrolase,"Nuclear receptor",Reader,"Family A G protein-coupled receptor",Transferase,"Voltage-gated ion channel","Electrochemical transporter","P
rimary active transporter",Ligase,"Cytochrome P450 family 1","Serine protease","Cytochrome P450 family 19","Lysine demethylase","Protein Kinase","Nuclear hormone receptor subfamily 1","Histone deacety
lase","Methyl-lysine/arginine binding protein","Cytochrome P450 family 3",Bromodomain,"Small molecule receptor (family A GPCR)","Transient receptor potential channel","SLC superfamily of solute carrie
rs","Cytochrome P450 family 2","ATP-binding cassette","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 1B","Serine protease SC clan","Cytochrome P450 family 19A","Jumonji domain-containi
ng","CAMK protein kinase group","Nuclear hormone receptor subfamily 1 group F","HDAC class III","Tudor domain","Cytochrome P450 family 3A","Monoamine receptor","AGC protein kinase group","STE protein 
kinase group","Nuclear hormone receptor subfamily 1 group C","Lysine-specific demethylase","Cytochrome P450 family 1A","Atypical protein kinase group","SLC06 neurotransmitter transporter family","Cyto
chrome P450 family 2C","ABCB subfamily","Nuclear hormone receptor subfamily 3 group A","Cytochrome P450 1B1","Serine protease S9B subfamily","Cytochrome P450 19A1","CAMK protein kinase unique family",
"Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Adrenergic receptor","AGC protein kinase PKC family","STE protein kinase STE20 family","Nuclear hormone receptor subfamil
y 1 group C member 3","Cytochrome P450 1A1","Atypical protein kinase PIKK family","Cytochrome P450 2C19","Cytochrome P450 2C9","Atypical protein kinase BCR family","Nuclear hormone receptor subfamily 
3 group A member 1","AGC protein kinase AKT family","AGC protein kinase PKC iota subfamily","STE protein kinase PAKA subfamily","Atypical protein kinase FRAP subfamily","Metallo protease","Cysteine pr
otease","Cytochrome P450 family 2D","Metallo protease MAE clan","Cysteine protease CA clan","Cytochrome P450 2D6","Metallo protease M34 family","Cysteine protease C19 family"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Ion channels","Catecholamine turnover","Cytochrome P450","Peptidases and proteinases","Carbonic anhydrases","Chromatin modifying enzymes","Kina
ses (EC 2.7.x.x)","1.-.-.- Oxidoreductases","Nuclear hormone receptors","Eicosanoid turnover",Transthyretin,"G protein-coupled receptors","3.2.1.- Glycosidases","SLC superfamily of solute carriers","A
ryl hydrocarbon receptor","Voltage-gated ion channels","L-Arginine turnover","ATP-binding cassette transporter family","Carboxylases and decarboxylases","Transcription factors","CYP1 family","SC: Seri
ne (S) Peptidases",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","1.14.11.- Histone demethylases","CAMK: Calcium/calmodulin-dependent protein kinases","1F. Retinoic acid-related orphans","Prostaglandin
 synthases",Cyclooxygenase,"3.5.1.- Histone deacetylases (HDACs)","CYP3 family",Adrenoceptors,"AGC: Containing PKA",PKG,"PKC families","SLC65 NPC-type cholesterol transporters","STE: Homologs of yeast
 Sterile 7","Sterile 11","Sterile 20 kinases","1C. Peroxisome proliferator-activated receptors","Lipid modifying kinases","Transient Receptor Potential channels",Atypical,"Nitric oxide synthases","SLC
6 neurotransmitter transporter family","CYP2 family: drug metabolising subset","ABCB subfamily",Decarboxylases,"Steroid hormone receptors","Basic leucine zipper domain TFs",Lipoxygenases,"S9: Prolyl o
ligopeptidase","CAMK-unique family","Protein kinase C (PKC) family","STE20 family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) famil
y","Monoamine transporter subfamily","3A. Estrogen receptors","Akt (Protein kinase B","PKB) family","Iota subfamily","PAKA subfamily","FRAP subfamily","2.7.1.40 Pyruvate kinases","CA: Cysteine (C) Pep
tidases","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{Metabolism,"Immune System","Metabolism of proteins","Transport of small molecules","DNA Repair","Neuronal System","Gene expression (Transcription)","Cell Cycle","Protein localization","Signal Transdu
ction","Metabolism of RNA","Cellular responses to external stimuli",Disease,"Developmental Biology","Biological oxidations","Innate Immune System","Peptide hormone metabolism","O2/CO2 exchange in eryt
hrocytes","Metabolism of amino acids and derivatives","Base Excision Repair","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Metabolism of lipids","Cell Cycle Checkpoints","
Mitochondrial protein import","Reversible hydration of carbon dioxide","Signaling by GPCR",Mitotic,"Signaling by Rho GTPases","Metabolism of non-coding RNA","Cellular responses to stress","DNA Double-
Strand Break Repair","Diseases of metabolism","Signaling by Nuclear Receptors","Plasma lipoprotein assembly",remodeling,"and clearance","Nervous system development","Cytokine Signaling in Immune syste
m","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Ion channel transport","Diseases of signal transduction by growth factor receptors and second messengers","I
nfectious disease","Disorders of transmembrane transporters","Abacavir transport and metabolism","Chromosome Maintenance",Translation,"Phase I - Functionalization of compounds","Toll-like Receptor Cas
cades","Incretin synthesis",secretion,"and inactivation","Erythrocytes take up carbon dioxide and release oxygen","Melanin biosynthesis","Resolution of Abasic Sites (AP sites)","Neurotransmitter recep
tors and postsynaptic signal transmission","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpoints","Fatty acid metabolism","GPCR downs
tream signalling","M Phase","Rho GTPase cycle","snRNP Assembly","Cellular response to hypoxia","Homology Directed Repair","Branched-chain amino acid catabolism","Metabolism of steroids","GPCR ligand b
inding","Diseases of carbohydrate metabolism","ESR-mediated signaling","Plasma lipoprotein clearance","Axon guidance","Signaling by Interleukins","EGR2 and SOX10-mediated initiation of Schwann cell my
elination","PIP3 activates AKT signaling","Signaling by Insulin receptor","Stimuli-sensing channels","Signaling by FGFR in disease","Infection with Mycobacterium tuberculosis","SLC transporter disorde
rs","Abacavir transmembrane transport","Metabolism of polyamines","Mitotic G1 phase and G1/S transition","Telomere Maintenance","tRNA Aminoacylation","Amine Oxidase reactions","Toll Like Receptor 5 (T
LR5) Cascade","Cytochrome P450 - arranged by substrate type",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Resolution of AP sites via the multiple-nucleotide patch replacement pathw
ay","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Tran
scriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","FOXO-mediated transcription","G alpha (i) signalling events","Mitotic Metaphase and Anaphase","RHOBTB
 GTPase Cycle","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Metabolism of steroid hormones"
,"Class A/1 (Rhodopsin-like receptors)","Glycogen storage diseases","Extra-nuclear estrogen signaling","LDL clearance","EPH-Ephrin signaling","Regulation of gene expression by Hypoxia-inducible Factor
","Interleukin-12 family signaling","PTEN Regulation","Insulin receptor signalling cascade","TRP channels","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","Response of Mtb to phag
ocytosis","Defective SLC6A2 causes orthostatic intolerance (OI)","Regulation of ornithine decarboxylase (ODC)","G0 and Early G1","Transcriptional regulation by RUNX1","Extension of Telomeres","Cytosol
ic tRNA aminoacylation","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","MyD88 cascade initiated on plasma membrane","Endogenous sterols","PCNA-Dependent Long Patch Base Exc
ision Repair","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","Regulation of MEC
P2 expression and activity","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Regulation of FOXO transcriptional activity by acetylation","Visual phototransductio
n","Mitotic Anaphase","RHOBTB3 ATPase cycle","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Pregnenolone biosynthesis","Amine ligand-binding receptors","Glycogen storage dise
ase type II (GAA)","Estrogen-stimulated signaling through PRKCZ","EPHB-mediated forward signaling","MECP2 regulates transcription factors","Interleukin-12 signaling","Regulation of PTEN gene transcrip
tion",Xenobiotics,"IRS-mediated signalling","Regulation of TP53 Activity","FGFR1 mutant receptor activation","Suppression of phagosomal maturation","Transcription of E2F targets under negative control
 by DREAM complex","RUNX1 regulates estrogen receptor mediated transcription","Telomere Extension By Telomerase","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Activation of 
AMPK downstream of NMDARs","Stabilization of p53","The canonical retinoid cycle in rods (twilight vision)","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Biosynthesis
 of maresin-like SPMs",Adrenoceptors,"Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","PI3K Cascade","Regulation of TP53 Expression and Degradation","Signaling by c
ytosolic FGFR1 fusion mutants","Inhibition of nitric oxide production","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of DPAn-3-derived 13-series r
esolvins","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degr
adation",Hemostasis,"Platelet activation","signaling and aggregation","Metabolism of carbohydrates","Uptake and actions of bacterial toxins","Platelet Aggregation (Plug Formation)","Glucose metabolism
","Uptake and function of anthrax toxins",Glycolysis,"Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{CSNK2A1,NQO2,PTGS1,PTGS2}

> <broad_moa>
{"cytochrome P450 inhibitor","SIRT activator"}

> <synonyms>
{resveratrol,501-36-0,501360,trans-resveratrol,transresveratrol,"3,4',5-Trihydroxystilbene","3,4',5Trihydroxystilbene","(E)-5-(4-Hydroxystyryl)benzene-1,3-diol","(E)5(4Hydroxystyryl)benzene1,3diol","3
,5,4'-Trihydroxystilbene","3,5,4'Trihydroxystilbene",(E)-resveratrol,(E)resveratrol,"3,4',5-Stilbenetriol","3,4',5Stilbenetriol","5-((E)-2-(4-hydroxyphenyl)ethenyl)benzene-1,3-diol","5((E)2(4hydroxyph
enyl)ethenyl)benzene1,3diol",Resvida,3,4',T1558,SAM001246888,1502223,Resveratrol,CPD000058206,RESVERATROL}

> <pdid>
PD001353

> <targets>
{Antibiotic,Apoptosis,Autophagy,Bacterial,Fungal,IKK,Keap1-Nrf2,Mitophagy,Sirtuin}

> <classes>
{antifungal,antibacterial,Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics,NF-ºB}

> <pubchem_cids>
{445154}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  1  0            999 V2000
    2.5983   -3.0004    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5998    1.4987    0.0000 C   0  0  1  0  0  0
   -3.8976    0.7465    0.0000 O   0  0
   -2.6028    2.9995    0.0000 C   0  0  1  0  0  0
   -1.3059    3.7547    0.0000 C   0  0
   -1.3105    5.2547    0.0000 O   0  0
   -3.9036    3.7481    0.0000 N   0  0
   -3.9066    5.2489    0.0000 C   0  0
   -2.6088    6.0011    0.0000 O   0  0
   -5.2073    5.9976    0.0000 C   0  0
   -5.2103    7.4976    0.0000 Cl  0  0
   -6.5051    5.2454    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12073

> <plate>
PLATE 015

> <well>
A3

> <supplier_cmpd_name>
Thiamphenicol

> <ctcr_id>
2627

> <supplier_cmpd_id>
T1550

> <smiles>
C[S](=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl

> <pd_targets>
{SKA}

> <pathway_gtopdb>
{Enzyme,Kinase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"bacterial 50S ribosomal subunit inhibitor"}

> <synonyms>
{thiamphenicol,15318-45-3,15318453,Thiophenicol,(+)-Thiamphenicol,(+)Thiamphenicol,Dextrosulphenidol,"Thiocymetin (TN)","Armai (TN)",C12H15Cl2NO5S,UNII-FLQ7571NPM,UNIIFLQ7571NPM,"Thiamphenicol (Thioph
enicol)",WIN-5063-2,WIN50632,RACEPHENICOL,FLQ7571NPM,MLS001332640,847-25-6,847256,Raceophenidol,CHE,T1550,1503136,Prestw-25,Thiamphenicol,THIAMPHENICOL}

> <pdid>
PD001062

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{27200}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 30  0  0  0  0            999 V2000
   -2.3701  -15.6838    0.0000 C   0  0
   -2.8354  -14.2578    0.0000 C   0  0
   -1.8332  -13.1406    0.0000 C   0  0
   -2.2988  -11.7138    0.0000 C   0  0
   -1.2966  -10.5966    0.0000 C   0  0
   -1.7622   -9.1698    0.0000 N   0  0
   -0.7600   -8.0526    0.0000 C   0  0
    0.7077   -8.3622    0.0000 N   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.2133   -5.2173    0.0000 O   0  0
    6.2133   -6.7173    0.0000 C   0  0
    4.9141   -7.4669    0.0000 O   0  0
    7.5133   -7.4673    0.0000 C   0  0
    8.8133   -6.7173    0.0000 C   0  0
    8.8147   -5.2165    0.0000 C   0  0
    7.5162   -4.4657    0.0000 O   0  0
   10.1140   -4.4669    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  2  0
 22 12  1  0
 22 15  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12074

> <plate>
PLATE 015

> <well>
A4

> <supplier_cmpd_name>
Tegaserod maleate

> <ctcr_id>
5375

> <supplier_cmpd_id>
T1551

> <smiles>
CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Tegaserod maleate",CPD000471618,189188-57-6,189188576,HMS2051J10,HMS2231G21,CT0137,CCG-101019,CCG101019,SR-01000763155,SR01000763155,SR-01000763155-3,SR010007631553,T1551,SAM001246606}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{135860280}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  1  0            999 V2000
    2.2090   -0.3353    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    2.2500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  1  0  0  0
    2.7095   -0.7710    0.0000 O   0  0
    3.4182   -2.8395    0.0000 C   0  0
    4.8815   -2.5100    0.0000 O   0  0
    2.9720   -4.2725    0.0000 C   0  0
    3.9887   -5.3754    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  1
  6  4  1  1
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16  6  1  0
 16 10  1  0
 16 17  1  1
  7 18  1  0
 18  2  1  0
 18 19  1  1
 19 20  1  0
 20 21  1  0
 21  2  1  0
 21 22  1  6
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12075

> <plate>
PLATE 015

> <well>
A5

> <supplier_cmpd_name>
Prednisolone

> <ctcr_id>
6578

> <supplier_cmpd_id>
T1560

> <smiles>
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO

> <pd_targets>
{NR3C1,AR,NR3C2,ADAM17,GPBAR1,PGR,SERPINA6,ABCB11,FABP1,IL6,GLUL}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Membrane receptor","Secreted protein",Transporter,"Auxiliary transport protein","Nuclear receptor",Protease,"Family A G protein-coupled receptor","Primary active transp
orter","Fatty acid binding protein family",Ligase,"Nuclear hormone receptor subfamily 3","Metallo protease","Small molecule receptor (family A GPCR)","ATP-binding cassette","Nuclear hormone receptor s
ubfamily 3 group C","Metallo protease MAM clan","Lipid-like ligand receptor (family A GPCR)","ABCB subfamily","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamil
y 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 2","Metallo protease M12B subfamily","Steroid-like ligand receptor","Nuclear hormone receptor subfamily 3 group C member 3"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Other protein targets","Nuclear hormone receptors","Peptidases and proteinases","G protein-coupled receptors","ATP-binding cassette transporter family","Fatty acid-bin
ding proteins","Steroid hormone receptors","MA: Metallo (M) Peptidases","Bile acid receptor","ABCB subfamily","3C. 3-Ketosteroid receptors","M12: Astacin/Adamalysin"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins",Disease,Metabolism,"Neuronal System","RNA Polymerase II Transcription","Post-translational protein modification","Infectious disease","Metab
olism of lipids","Transmission across Chemical Synapses","Generic Transcription Pathway",SUMOylation,"Leishmania infection","Metabolism of steroids","Regulation of lipid metabolism by PPARalpha","Neur
otransmitter uptake and metabolism In glial cells","FOXO-mediated transcription","Transcriptional regulation by RUNX2","SUMO E3 ligases SUMOylate target proteins","Leishmania parasite growth and survi
val","Metabolism of steroid hormones","Bile acid and bile salt metabolism","PPARA activates gene expression","Astrocytic Glutamate-Glutamine Uptake And Metabolism","FOXO-mediated transcription of oxid
ative stress","metabolic and neuronal genes","RUNX2 regulates bone development","SUMOylation of intracellular receptors","Anti-inflammatory response favouring Leishmania parasite infection","Glucocort
icoid biosynthesis","Synthesis of bile acids and bile salts","RUNX2 regulates osteoblast differentiation","CD163 mediating an anti-inflammatory response","ADORA2B mediated anti-inflammatory cytokines 
production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{NR3C1,NR3C2,SERPINA6}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{RESTW27,prednisolone,50-24-8,50248,Metacortandralone,Hydroretrocortine,Predonine,Delta-Cortef,DeltaCortef,Deltacortril,Meticortelone,Deltahydrocortisone,Prenolone,Hydroretrocortin,PRDL,Deltacortenol,
Hydrodeltalone,Hydrodeltisone,Codelcortone,Cortalone,Cotogesic,Decapred,SAM002264639,Prestw-274,CPD000718761,Prednisolone}

> <pdid>
PD001791

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5755}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.6005    1.5054    0.0000 O   0  0
    3.8995    0.7554    0.0000 C   0  0
    5.1983    1.5058    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4964    0.7591    0.0000 O   0  0
    7.8003   -1.4887    0.0000 C   0  0
    9.0994   -0.7387    0.0000 C   0  0
   10.3984   -1.4887    0.0000 C   0  0
   10.3985   -2.9887    0.0000 C   0  0
   11.6975   -3.7386    0.0000 Cl  0  0
    9.0995   -3.7387    0.0000 C   0  0
    7.8004   -2.9887    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  6  1  0
 16 11  1  0
  4 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12076

> <plate>
PLATE 015

> <well>
A6

> <supplier_cmpd_name>
Rebamipide

> <ctcr_id>
5683

> <supplier_cmpd_id>
T1562

> <smiles>
OC(=O)C(CC1=CC(=O)Nc2ccccc12)NC(=O)c3ccc(Cl)cc3

> <pd_targets>
{CCKAR}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Cholecystokinin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Cholecystokinin receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors"}

> <broad_targets>
{FPR1}

> <broad_moa>
{"free radical scavenger"}

> <synonyms>
{90098-04-7,90098047,"90098 04 7",Proamipide,Mucosta,111911-87-6,111911876,"111911 87 6",OPC-12759,OPC12759,"OPC 12759","Rebamipide hydrate",Pramipide,"2-(4-chlorobenzamido)-3-(2-oxo-1,2-dihydroquinol
in-4-yl)propanoic acid","2(4chlorobenzamido)3(2oxo1,2dihydroquinolin4yl)propanoic acid","2 (4 chlorobenzamido) 3 (2 oxo 1,2 dihydroquinolin 4 yl)propanoic acid","2-((4-chlorobenzoyl)amino)-3-(2-oxo-1H
-quinolin-4-yl)propanoic acid","2((4chlorobenzoyl)amino)3(2oxo1Hquinolin4yl)propanoic acid","2 ((4 chlorobenzoyl)amino) 3 (2 oxo 1H quinolin 4 yl)propanoic acid",2-(4-C,2(4C,"2 (4 C",T1562,1505310,Pre
stw-1166,Rebamipide,REBAMIPIDE}

> <pdid>
PD000950

> <targets>
{COX,Prostaglandin Receptor}

> <classes>
{antioxidant,antiulcer,GPCR/G Protein,Immunology/Inflammation}

> <pubchem_cids>
{5042}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.1517    0.8676    0.0000 O   0  0
  -10.1554    1.9823    0.0000 C   0  0
   -9.4054    3.2814    0.0000 C   0  0
   -7.9382    2.9695    0.0000 C   0  0
  -11.6458    1.8288    0.0000 N   0  3
  -12.2583    0.4596    0.0000 O   0  5
  -12.5257    3.0436    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  2  0
 15 18  1  0
 18 19  1  0
 18 20  2  0
M  CHG  2  18   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12077

> <plate>
PLATE 015

> <well>
A7

> <supplier_cmpd_name>
Nifuroxazide

> <ctcr_id>
1603

> <supplier_cmpd_id>
T1563

> <smiles>
Oc1ccc(cc1)C(=O)N/N=C/c2oc(cc2)[N+]([O-])=O

> <pd_targets>
{ALDH1A1,KDM4E,KMT2A,MEN1,NPSR1,MAPT,RORC,GAA,ALD,POLB,LMNA,MITF,STAT3}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Other cytosolic protein","Transcription factor","Other nuclear protein",Oxidoreductase,Eraser,Reader,"Family A G protein-coupled receptor","Nuclear 
receptor",Hydrolase,"Lysine demethylase",Bromodomain,"Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Nuc
lear hormone receptor subfamily 1 group F","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Chromatin modifying enzymes","G protein-coupled receptors","Nuclear hormone receptors","3.2.1.- Glycosidases","Transcription factors","1.14.11.- Histone dem
ethylases","Neuropeptide S receptor","1F. Retinoic acid-related orphans","STAT transcription factors"}

> <pathway_reactome>
{Metabolism,Disease,"Neuronal System","Gene expression (Transcription)","DNA Repair","Cell Cycle","Metabolism of proteins","Biological oxidations","Infectious disease","Transmission across Chemical Sy
napses","RNA Polymerase II Transcription","Diseases of metabolism","Base Excision Repair",Mitotic,"Post-translational protein modification","Diseases of signal transduction by growth factor receptors 
and second messengers","Phase I - Functionalization of compounds","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Diseases of 
carbohydrate metabolism","Resolution of Abasic Sites (AP sites)","M Phase",SUMOylation,"Signaling by FGFR in disease","Ethanol oxidation","Leishmania parasite growth and survival","Activation of NMDA 
receptors and postsynaptic events","Transcriptional regulation by RUNX3","Glycogen storage diseases","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Mitotic Metaphase a
nd Anaphase","SUMO E3 ligases SUMOylate target proteins","Signaling by FGFR1 in disease","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","RU
NX3 Regulates Immune Response and Cell Migration","Glycogen storage disease type II (GAA)","PCNA-Dependent Long Patch Base Excision Repair","Mitotic Anaphase","SUMOylation of transcription factors","F
GFR1 mutant receptor activation","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Signaling by cytosolic FGFR1 fu
sion mutants","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA inhibitor"}

> <synonyms>
{RESTW55,H868,Nifuroxazide,965-52-6,965526,UNII-PM5LI0P38J,UNIIPM5LI0P38J,Dicoferin,Nifuroxazid,PM5LI0P38J,MLS000069620,Diarlidan,Ercefuryl,"BENZOIC ACID, p-HYDROXY-, (5-NITROFURFURYLIDENE)HYDRAZIDE",
"BENZOIC ACID, pHYDROXY, (5NITROFURFURYLIDENE)HYDRAZIDE",Nifuroxazide-d4,Nifuroxazided4,Nifuroxazida,Nifuroxazidum,4-hydroxy-N-((E)-(5-nitro-2-fury,4hydroxyN((E)(5nitro2fury,T1563,Prestw-555}

> <pdid>
PD000270

> <targets>
{STAT}

> <classes>
{}

> <pubchem_cids>
{5337997}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    7.7546  -15.0257    0.0000 Cl  0  0
    6.4594  -14.2692    0.0000 C   0  0
    5.1566  -15.0126    0.0000 C   0  0
    3.8613  -14.2561    0.0000 C   0  0
    3.8689  -12.7561    0.0000 C   0  0
    5.1717  -12.0125    0.0000 C   0  0
    5.1769  -10.5118    0.0000 N   0  0
    6.4785   -9.7663    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    6.4669  -12.7692    0.0000 C   0  0
    7.7698  -12.0258    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 19  1  0
 25 26  2  0
 26 16  1  0
 10 27  1  0
 27 28  1  0
 28  7  1  0
  6 29  2  0
 29  2  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12078

> <plate>
PLATE 015

> <well>
A8

> <supplier_cmpd_name>
Aripiprazole

> <ctcr_id>
4649

> <supplier_cmpd_id>
T1566

> <smiles>
Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl

> <pd_targets>
{RORC,HTR3A,DRD4,HTR1A,HTR2C,KCNH2,HRH1,HTR2A,ADRA2A,ADRA2B,HTR1D,DRD3,ADRB1,GSC2,ADRA1A,HTR7,DRD2,HTR2B,SLC6A3,H1-0,HTR1B,GAA,HTR6,MAPT,ADRA2C,ADRA1B,ADRA1D,DRD5,ADRB2,CHRM1,SLC6A4,CHRM5,KMT2A,MEN1,N
PSR1,HTR5A,CHRM4,GRIN1,CHRM2,SLC6A2,CHRM3,HRH3,PRKCG,HTR1E,ABCB1,HTR3B,HTR3C,HTR3D,HTR3E}

> <pathway_gtopdb>
{"Transcription factor","Ion channel","Membrane receptor",Enzyme,Transporter,"Other nuclear protein","Other cytosolic protein","Epigenetic regulator","Nuclear receptor","Ligand-gated ion channel","Fam
ily A G protein-coupled receptor","Voltage-gated ion channel",Transferase,"Electrochemical transporter",Hydrolase,Reader,Kinase,"Primary active transporter","Nuclear hormone receptor subfamily 1","5HT
3 receptor","Small molecule receptor (family A GPCR)","Potassium channels","SLC superfamily of solute carriers",Bromodomain,"Peptide receptor (family A GPCR)","Ionotropic glutamate receptor","Protein 
Kinase","ATP-binding cassette","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","Voltage-gated potassium channel","SLC06 neurotransmitter transporter family","Short peptide receptor
 (family A GPCR)","NMDA receptor","AGC protein kinase group","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Dopamine receptor","Serotonin receptor","Histamine receptor","Adr
energic receptor","Acetylcholine receptor","Neuropeptide receptor","AGC protein kinase PKC family","AGC protein kinase PKC alpha subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Transporters,Enzymes,"Nuclear hormone receptors","Ligand-gated ion channels","G protein-coupled receptors","Voltage-gated ion channels","SLC superfamily of solute carriers","
3.2.1.- Glycosidases","Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","1F. Retinoic acid-related orphans","5-HT<sub>3</sub> receptors","Dopamine receptors","5-Hydroxytryptamine recept
ors","Potassium channels","Histamine receptors",Adrenoceptors,"SLC6 neurotransmitter transporter family","Acetylcholine receptors (muscarinic)","Neuropeptide S receptor","Ionotropic glutamate receptor
s","AGC: Containing PKA",PKG,"PKC families","ABCB subfamily","Voltage-gated potassium channels","Monoamine transporter subfamily","Protein kinase C (PKC) family","Alpha subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System","Signal Transduction","Muscle contraction",Disease,"Cellular responses to external stimuli",Metabolism,"RNA Polymerase II Transcription","Transmiss
ion across Chemical Synapses","Signaling by GPCR","Cardiac conduction","Infectious disease","Disorders of transmembrane transporters","Cellular responses to stress","Diseases of metabolism","Abacavir 
transport and metabolism","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","Phase 3 - rapid repolarisation","Leishmania infection
","SLC transporter disorders","Cellular Senescence","Diseases of carbohydrate metabolism","Neurotransmitter clearance","Abacavir transmembrane transport","Transcriptional regulation by RUNX3","Class A
/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","DNA Damage/Telomere Stress Induced Senescence","Glycogen sto
rage diseases","Activation of NMDA receptors and postsynaptic events","Serotonin clearance from the synaptic cleft","Defective SLC6A2 causes orthostatic intolerance (OI)","Glutamate binding","activati
on of AMPA receptors and synaptic plasticity","RUNX3 Regulates Immune Response and Cell Migration","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection"
,"Formation of Senescence-Associated Heterochromatin Foci (SAHF)","Glycogen storage disease type II (GAA)","Post NMDA receptor activation events","Trafficking of AMPA receptors","Dopamine receptors","
Serotonin receptors","Histamine receptors",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","CREB1
 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Trafficking of GluR2-containing AMPA receptors","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA2A,ADRA2B,ADRA2C,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD1,DRD2,DRD3,DRD4,DRD5,HRH1,HTR1A,HTR1B,HTR1D,HTR1E,HTR2A,HTR2C,HTR3A,HTR6,HTR7}

> <broad_moa>
{"serotonin receptor agonist","serotonin receptor antagonist"}

> <synonyms>
{RESTW122,Aripiprazole,"7-(4-(-4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril","7(4(4(2,3dichlorophenyl)1piperazinyl)butoxy)3,4dihydrocarbostyril","7-(4-(4-(2,3-dichlorophenyl)-1-
piperazinyl)butoxy)-3, 4-dihydrocarbostyril","7(4(4(2,3dichlorophenyl)1piperazinyl)butoxy)3, 4dihydrocarbostyril",1026778-41-5,1026778415,24-29-3,24293,129722-12-9,129722129,Abilify,Abilitat,"Abilify 
Discmelt",OPC-145,OPC145,T1566,S1975,SAM001246750,1505851,Prestw-1229,CPD000466383,ARIPIPRAZOLE}

> <pdid>
PD000697

> <targets>
{"5-HT Receptor"}

> <classes>
{antipsychotic,"5HT2A antagonist","Neuronal Signaling"}

> <pubchem_cids>
{60795}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 N   0  0
   -0.7537    5.2860    0.0000 N   0  0
   -1.2149    3.8587    0.0000 C   0  0
   -1.6377    6.4987    0.0000 C   0  0
   -1.1355    7.9069    0.0000 C   0  0
   -2.1078    9.0491    0.0000 C   0  0
   -3.5831    8.7781    0.0000 N   0  0
   -4.0862    7.3650    0.0000 C   0  0
   -3.1139    6.2228    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2056   -2.9933    0.0000 C   0  0
    3.9091   -3.7478    0.0000 Cl  0  0
    6.5072   -3.7388    0.0000 C   0  0
    7.8036   -2.9844    0.0000 C   0  0
    9.1052   -3.7299    0.0000 F   0  0
    7.7985   -1.4844    0.0000 C   0  0
    6.4969   -0.7388    0.0000 C   0  0
    6.4918    0.7612    0.0000 Cl  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 11  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
  2 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 22  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12079

> <plate>
PLATE 015

> <well>
A9

> <supplier_cmpd_name>
Crizotinib

> <ctcr_id>
5753

> <supplier_cmpd_id>
T1661

> <smiles>
C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CCNCC3)c4c(Cl)cc(F)cc4Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NSC756645,NSC-756645,AB01273972-01,AB0127397201,756645,"NSC 756645",Crizotinib,PF-2341066}

> <pdid>
PD004074

> <targets>
{}

> <classes>
{"ALK inhibitor"}

> <pubchem_cids>
{54613769}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0  1  0  0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
   -5.2060    2.9940    0.0000 C   0  0
   -3.9096    3.7485    0.0000 O   0  0
   -6.5074    3.7399    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  4  2  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  6
 10 11  2  0
 10 12  1  0
 13 12  1  1
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 13 21  1  0
 21 22  1  0
 21 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12080

> <plate>
PLATE 015

> <well>
A10

> <supplier_cmpd_name>
Nateglinide

> <ctcr_id>
1741

> <supplier_cmpd_id>
T1674

> <smiles>
CC(C)[C@@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc2ccccc2)C(O)=O

> <pd_targets>
{SLC15A2,SLC22A6,ABCC8,KCNJ11,PPARG,LMNA,ALD}

> <pathway_gtopdb>
{Transporter,"Ion channel","Transcription factor","Other nuclear protein",Enzyme,"Electrochemical transporter","Voltage-gated ion channel","Primary active transporter","Nuclear receptor",Protease,"SLC
 superfamily of solute carriers","Potassium channels","ATP-binding cassette","Nuclear hormone receptor subfamily 1","Cysteine protease","SLC15 family of peptide transporters","SLC22 family of organic 
cation and anion transporters","Inwardly rectifying potassium channel","ABCC subfamily","Nuclear hormone receptor subfamily 1 group C","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1
 group C member 3","Cysteine protease C1A family"}

> <pathway_chembl>
{Transporters,Receptors,"SLC superfamily of solute carriers","ATP-binding cassette transporter family","Nuclear hormone receptors","SLC15 family of peptide transporters","SLC22 family of organic catio
n and anion transporters","ABCC subfamily","1C. Peroxisome proliferator-activated receptors","Organic anion transporters (OATs)"}

> <pathway_reactome>
{"Transport of small molecules",Disease,"Gene expression (Transcription)","Cell Cycle","SLC-mediated transmembrane transport","Disorders of transmembrane transporters","RNA Polymerase II Transcription
",Mitotic,"Transport of inorganic cations/anions and amino acids/oligopeptides","Transport of bile salts and organic acids","metal ions and amine compounds","ABC transporter disorders","Generic Transc
ription Pathway","M Phase","Proton/oligopeptide cotransporters","Organic cation/anion/zwitterion transport","Defective ABCC8 can cause hypo- and hyper-glycemias","Transcriptional Regulation by MECP2",
"Mitotic Metaphase and Anaphase","Organic anion transport","MECP2 regulates transcription factors","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformatio
n"}

> <broad_targets>
{ABCC8,KCNJ10,KCNJ11,PPARG}

> <broad_moa>
{"insulin secretagogue"}

> <synonyms>
{nateglinide,105816-04-4,105816044,Starlix,Fastic,Starsis,Trazec,A-4166,A4166,AY-4166,AY4166,SDZ-DJN-608,SDZDJN608,"DJN 608",DJN-608,DJN608,UNII-41X3PWK4O2,UNII41X3PWK4O2,"SDZ-DJN 608","SDZDJN 608","A
Y 4166","A 4166",MFCD00875706,CHEMBL783,"SDZ DJN 608",41X3PWK4O2,N-((trans-4-Isopropylcyclohexyl)carbonyl,N((trans4Isopropylcyclohexyl)carbonyl,T1674,1504258,Nateglinide,NATEGLINIDE}

> <pdid>
PD001209

> <targets>
{}

> <classes>
{antidiabetic}

> <pubchem_cids>
{5311309}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 35  0  0  0  0            999 V2000
   -3.3714  -16.8012    0.0000 C   0  0
   -2.3698  -15.6846    0.0000 C   0  0
   -0.9021  -15.9942    0.0000 C   0  0
   -1.9038  -17.1104    0.0000 C   0  0
   -2.8354  -14.2578    0.0000 C   0  0
   -4.3031  -13.9482    0.0000 O   0  0
   -1.8332  -13.1406    0.0000 O   0  0
   -2.2988  -11.7138    0.0000 C   0  0
   -1.2966  -10.5966    0.0000 O   0  0
   -1.7622   -9.1698    0.0000 P   0  0
   -0.2945   -9.4794    0.0000 O   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.2306   -8.8601    0.0000 O   0  0
   -4.2338   -9.9763    0.0000 C   0  0
   -5.7023   -9.6666    0.0000 O   0  0
   -6.7056  -10.7828    0.0000 C   0  0
   -6.2403  -12.2088    0.0000 O   0  0
   -8.1741  -10.4731    0.0000 C   0  0
   -9.1767  -11.5887    0.0000 C   0  0
   -8.6394   -9.0471    0.0000 C   0  0
   -9.6416  -10.1628    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 19  1  0
 10 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12081

> <plate>
PLATE 015

> <well>
A11

> <supplier_cmpd_name>
Adefovir dipivoxil

> <ctcr_id>
6150

> <supplier_cmpd_id>
T1675

> <smiles>
CC(C)(C)C(=O)OCO[P](=O)(COCCn1cnc2c(N)ncnc12)OCOC(=O)C(C)(C)C

> <pd_targets>
{FFP,ABCB11,SLC22A6,P}

> <pathway_gtopdb>
{Enzyme,Transporter,Transferase,"Primary active transporter","Electrochemical transporter","ATP-binding cassette","SLC superfamily of solute carriers","ABCB subfamily","SLC22 family of organic cation 
and anion transporters"}

> <pathway_chembl>
{Transporters,"ATP-binding cassette transporter family","SLC superfamily of solute carriers","ABCB subfamily","SLC22 family of organic cation and anion transporters","Organic anion transporters (OATs)
"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Metabolism of lipids","SLC-mediated transmembrane transport","Metabolism of steroids","Transport of bile salts and organic acids","metal ions and amine comp
ounds","Bile acid and bile salt metabolism","Organic cation/anion/zwitterion transport","Synthesis of bile acids and bile salts","Organic anion transport","Synthesis of bile acids and bile salts via 7
alpha-hydroxycholesterol"}

> <broad_targets>
{}

> <broad_moa>
{"DNA polymerase inhibitor"}

> <synonyms>
{142340-99-6,142340996,Hepsera,Preveon,"Adefovir pivoxil","bis-POM PMEA","bisPOM PMEA","GS 0840",GS-0840,GS0840,"GS 840",GS-840,GS840,"Adefovir dipivoxyl",UNII-U6Q8Z01514,UNIIU6Q8Z01514,"Adefovir dipi
voxil (USAN)",9-(2-((Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)e,9(2((Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)e,T1675,S1718,"Adefovir dipivoxil","Adefovir Dipivoxil"}

> <pdid>
PD000101

> <targets>
{Others,Reverse Transcriptase,HBV}

> <classes>
{Microbiology,Anti-infection}

> <pubchem_cids>
{60871}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 34  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 S   0  0
   -3.8926   -3.7566    0.0000 O   0  0
   -1.2948   -3.7517    0.0000 O   0  0
   -2.5923   -4.5039    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0072    7.5009    0.0000 F   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0  2  0  0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1894    6.0109    0.0000 C   0  0  2  0  0  0
    5.1872    7.5118    0.0000 C   0  0
    6.4854    8.2649    0.0000 C   0  0
    6.4833    9.7649    0.0000 O   0  0
    7.7858    7.5171    0.0000 O   0  0
    6.4897    5.2632    0.0000 O   0  0
    5.1936    3.0093    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
  7 12  1  0
  3 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
  2 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 24 29  1  6
 22 30  1  6
  1 31  1  0
 31 32  1  0
 31 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12082

> <plate>
PLATE 015

> <well>
B2

> <supplier_cmpd_name>
Rosuvastatin

> <ctcr_id>
11102

> <supplier_cmpd_id>
T1676

> <smiles>
c1(c(c(nc(n1)N(S(=O)(=O)C)C)c1ccc(cc1)F)/C=C/[C@H](C[C@H](CC(=O)O)O)O)C(C)C

> <pd_targets>
{HMGCR,PDE6D,ABCC4,ABCC3,ITGAL,ALDH1A1,CYP3A4}

> <pathway_gtopdb>
{Enzyme,Transporter,Adhesion,Oxidoreductase,Phosphodiesterase,"Primary active transporter","Phosphodiesterase 6","ATP-binding cassette","Phosphodiesterase 6D","ABCC subfamily",Protease,"Cytochrome P45
0","Cysteine protease","Cytochrome P450 family 3","Cysteine protease CA clan","Cytochrome P450 family 3A","Cysteine protease C1A family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Lanosterol biosynthesis pathway","Cyclic nucleotide turnover/signalling","ATP-binding cassette transporter family","Catalytic receptors",Phosphodiesterases,3',"5'-cycl
ic nucleotide (PDEs)","ABCC subfamily",Integrins,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Signal Transduction",Hemostasis,"Gene expression (Transcription)","Metabolism of lipids","MAPK family signaling cascades","Platelet activation","signaling and aggregation","RNA Polymerase
 II Transcription","Metabolism of steroids","MAPK1/MAPK3 signaling","Response to elevated platelet cytosolic Ca2+","Generic Transcription Pathway","Regulation of cholesterol biosynthesis by SREBP (SRE
BF)","RAF/MAP kinase cascade","Platelet degranulation","Bile acid and bile salt metabolism","Transcriptional regulation by RUNX3","Activation of gene expression by SREBF (SREBP)","RAS processing","Rec
ycling of bile acids and salts","RUNX3 Regulates Immune Response and Cell Migration","Biological oxidations","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediat
ors (SPMs)","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{HMGCR}

> <broad_moa>
{"HMGCR inhibitor"}

> <synonyms>
{Rosuvastatin,287714-41-4,287714414,ZD4522,UNII-413KH5ZJ73,UNII413KH5ZJ73,CHEMBL1496,CHEBI:38545,413KH5ZJ73,ZD-4522,"Creston (TN)","Rosuvastatin (INN)","Rosuvastatin (INN:BAN)",C22H28FN3O6S,"HSDB 7317
",Spectrum5_001695,Spectrum5001695,Spectrum5-001695,"Spectrum5 001695",SCHEMBL2520,BSPBio_003429,BSPBio003429,BSPBio-003429,"BSPBio 003429",SCHEMBL154400,SPECTRUM1,T1676}

> <pdid>
PD009808

> <targets>
{"HMG-CoA reductase"}

> <classes>
{Metabolism}

> <pubchem_cids>
{446157}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 65 67  0  0  1  0            999 V2000
    8.8875    3.1996    0.0000 C   0  0
    7.6000    2.4300    0.0000 C   0  0  2  0  0  0
    6.2900    3.1700    0.0000 O   0  0
    5.0100    2.4600    0.0000 C   0  0
    5.0211    0.9600    0.0000 O   0  0
    3.7400    3.1400    0.0000 C   0  0
    2.4600    2.4600    0.0000 C   0  0  2  0  0  0
    2.4464    0.9601    0.0000 O   0  0
    1.1800    3.1700    0.0000 C   0  0
    0.0000    2.4600    0.0000 C   0  0  2  0  0  0
    0.0521    0.9609    0.0000 O   0  0
   -1.3900    3.1700    0.0000 C   0  0
   -2.6200    2.4600    0.0000 C   0  0  2  0  0  0
   -2.6061    0.9601    0.0000 O   0  0
   -3.8500    3.1400    0.0000 C   0  0
   -5.1800    2.4300    0.0000 C   0  0
   -6.4600    3.1400    0.0000 C   0  0  1  0  0  0
   -6.4503    4.6400    0.0000 O   0  0
   -7.7800    2.4300    0.0000 C   0  0  2  0  0  0
   -7.8372    0.9311    0.0000 O   0  0
   -9.0600    3.2500    0.0000 C   0  0
  -10.2600    2.4100    0.0000 C   0  0  2  0  0  0
  -10.3367    3.9080    0.0000 O   0  0
  -11.5700    3.1400    0.0000 C   0  0
  -12.8500    2.4100    0.0000 C   0  0  2  0  0  0
  -14.1470    3.1634    0.0000 O   0  0
  -12.8500    0.9200    0.0000 C   0  0  2  0  0  0
  -11.6000    0.2200    0.0000 C   0  0  2  0  0  0
  -11.5700   -1.2300    0.0000 C   0  0
  -10.1600   -2.0000    0.0000 C   0  0  1  0  0  0
  -10.1710   -3.5010    0.0000 O   0  0
  -11.4756   -4.2429    0.0000 C   0  0  1  0  0  0
  -12.7682   -3.4817    0.0000 O   0  0
  -14.0737   -4.2204    0.0000 C   0  0  1  0  0  0
  -15.3662   -3.4591    0.0000 C   0  0
  -14.0867   -5.7203    0.0000 C   0  0  2  0  0  0
  -15.3922   -6.4590    0.0000 O   0  0
  -12.7942   -6.4816    0.0000 C   0  0  1  0  0  0
  -12.8073   -7.9815    0.0000 N   0  0
  -11.4887   -5.7429    0.0000 C   0  0  1  0  0  0
  -10.1963   -6.5042    0.0000 O   0  0
   -8.7700   -1.2900    0.0000 C   0  0
   -7.4200   -2.0400    0.0000 C   0  0
   -6.0400   -1.3600    0.0000 C   0  0
   -4.6800   -2.1000    0.0000 C   0  0
   -3.3000   -1.4100    0.0000 C   0  0
   -1.9200   -2.1500    0.0000 C   0  0
   -0.5900   -1.4700    0.0000 C   0  0
    0.7100   -2.2200    0.0000 C   0  0
    2.0600   -1.5700    0.0000 C   0  0
    3.4200   -2.2700    0.0000 C   0  0
    4.7600   -1.5800    0.0000 C   0  0
    6.1600   -2.3300    0.0000 C   0  0
    7.5400   -1.6300    0.0000 C   0  0
    8.8600   -2.4100    0.0000 C   0  0
   10.2600   -1.6800    0.0000 C   0  0  2  0  0  0
   11.5931   -2.3677    0.0000 C   0  0
    9.9400    0.6300    0.0000 C   0  0  1  0  0  0
   11.0118    1.6794    0.0000 O   0  0
    7.6300    1.0000    0.0000 C   0  0  1  0  0  0
    6.4988    0.0149    0.0000 C   0  0
  -10.2900    0.9200    0.0000 O   0  0
  -14.1386    0.1501    0.0000 C   0  0
  -14.1154   -1.3497    0.0000 O   0  0
  -15.4493    0.8795    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  6
 17 19  1  0
 19 20  1  6
 19 21  1  0
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  1  6
 32 31  1  6
 32 33  1  0
 33 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  6
 38 40  1  0
 40 32  1  0
 40 41  1  6
 30 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  2  0
 53 54  1  0
 54 55  2  0
 55 56  1  0
 56 57  1  1
 56 58  1  0
 58 59  1  6
 58 60  1  0
 60  2  1  0
 60 61  1  1
 28 62  1  0
 62 22  1  0
 27 63  1  6
 63 64  1  0
 63 65  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12083

> <plate>
PLATE 015

> <well>
B3

> <supplier_cmpd_name>
Nystatin

> <ctcr_id>
7170

> <supplier_cmpd_id>
T1678

> <smiles>
C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@H](C[C@@H](O[C@H]3O[C@@H](C)[C@H](O)[C@@H](N)[C@H]3O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2)C(O)
=O

> <pd_targets>
{HSD17B10,FFP,LMNA,CYP2C19,CTDSP1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Oxidoreductase,Transferase,Protease,"Cytochrome P450",Phosphatase,"Cysteine protease","Cytochrome P450 family 2","Protein Phosphatase","Cysteine protease CA clan","Cyto
chrome P450 family 2C","Serine/threonine protein phosphatase","Cysteine protease C1A family","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Metabolism of amino acids and derivatives",Mitotic,"Biological oxidations","Branched-chain amino acid catabolism","M Phase","Phase I - Functionalization of compounds","Mitoti
c Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Mitotic Anaphase",Xenobiotics,"Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Refor
mation"}

> <broad_targets>
{}

> <broad_moa>
{"fungal ergosterol inhibitor"}

> <synonyms>
{nystatin,"Nystatin (Fungicidin)",SCHEMBL10073781,1400-61-9,1400619,s1934,AKOS024464748,ZINC252517950,CCG-270578,CCG270578,NCGC00386193-01,NCGC0038619301,Q251005,S1934}

> <pdid>
PD014628

> <targets>
{Others,Antibiotic,Apoptosis,Fungal}

> <classes>
{Anti-infection,Apoptosis}

> <pubchem_cids>
{44424838}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

114123  0  0  0  0            999 V2000
   -0.3687   -5.4098    0.0000 C   0  0
   -1.3466   -5.6187    0.0000 C   0  0
   -1.8099   -7.0462    0.0000 C   0  0
   -1.1403   -7.7889    0.0000 C   0  0
   -3.2800   -7.3600    0.0000 C   0  0
   -4.3800   -6.7600    0.0000 N   0  0
   -4.4600   -5.4500    0.0000 C   0  0
   -5.7000   -4.8000    0.0000 C   0  0
   -5.7000   -3.5000    0.0000 C   0  0
   -4.4600   -2.7500    0.0000 C   0  0
   -4.4600   -1.3700    0.0000 C   0  0
   -3.3500   -0.7300    0.0000 C   0  0
   -2.1300   -1.3300    0.0000 C   0  0
   -2.1300   -2.7200    0.0000 N   0  0
   -3.3500   -3.4600    0.0000 C   0  0
   -3.3500   -4.8000    0.0000 C   0  0
   -2.4824   -5.2973    0.0000 O   0  0
   -0.9900   -0.7300    0.0000 C   0  0
    0.3150   -1.4696    0.0000 O   0  0
   -1.0600    0.5400    0.0000 O   0  0
   -2.2400    1.0800    0.0000 C   0  0
   -3.5022    0.2695    0.0000 C   0  0
   -2.2400    2.3600    0.0000 C   0  0
   -3.3500    2.9900    0.0000 N   0  0
   -3.3500    4.3800    0.0000 C   0  0
   -2.0275    5.0878    0.0000 O   0  0
   -4.4600    5.1200    0.0000 C   0  0
   -5.7000    4.7200    0.0000 C   0  0
   -6.4500    5.7900    0.0000 S   0  0
   -5.7000    6.8000    0.0000 C   0  0
   -4.4600    6.4300    0.0000 N   0  0
   -6.1000    8.0100    0.0000 C   0  0
   -5.2300    8.9600    0.0000 N   0  0
   -5.2300   10.2300    0.0000 C   0  0
   -6.3940   11.1761    0.0000 O   0  0
   -3.4100   10.6100    0.0000 C   0  0
   -3.0100   11.8900    0.0000 C   0  0
   -1.6300   11.9300    0.0000 S   0  0
   -1.2000   10.6400    0.0000 C   0  0
   -2.2400    9.8600    0.0000 N   0  0
    1.5600   10.1800    0.0000 C   0  0
    1.8300    8.8900    0.0000 N   0  0
    3.1800    8.3600    0.0000 C   0  0
    4.3316    9.3211    0.0000 O   0  0
    3.4200    7.1400    0.0000 C   0  0
    4.7000    6.6600    0.0000 N   0  0
    4.9600    5.4500    0.0000 C   0  0
    3.5852    4.8500    0.0000 O   0  0
    5.6400    4.4800    0.0000 C   0  0
    7.0500    4.4400    0.0000 C   0  0
    7.4500    3.0300    0.0000 S   0  0
    6.4800    2.2900    0.0000 C   0  0
    5.3000    2.9700    0.0000 N   0  0
    6.5200    1.0500    0.0000 C   0  0
    7.6600    0.4700    0.0000 C   0  0
    7.6900   -1.5100    0.0000 C   0  0
    6.5500   -2.0800    0.0000 C   0  0
    5.4000   -1.5100    0.0000 N   0  0
    5.4000    0.3400    0.0000 C   0  0
    1.0600    3.0900    0.0000 C   0  0
    0.5600    4.2400    0.0000 C   0  0
   -0.8500    4.2000    0.0000 S   0  0
   -1.0900    2.8300    0.0000 C   0  0
    0.0000    2.3300    0.0000 N   0  0
    6.5526   -3.5807    0.0000 C   0  0
    5.3074   -4.3989    0.0000 S   0  0
    5.7197   -5.8411    0.0000 C   0  0
    7.2188   -5.8946    0.0000 C   0  0
    7.7329   -4.4855    0.0000 N   0  0
    8.0582   -7.1356    0.0000 C   0  0
    9.5544   -7.0286    0.0000 O   0  0
    7.4029   -8.4859    0.0000 N   0  0
    8.2438   -9.7290    0.0000 C   0  0
    9.7400   -9.6219    0.0000 C   0  0
    7.5885  -11.0792    0.0000 C   0  0
    6.0923  -11.1863    0.0000 O   0  0
    8.4294  -12.3223    0.0000 N   0  0
    7.7741  -13.6725    0.0000 C   0  0
    6.2779  -13.7796    0.0000 C   0  0
    8.6150  -14.9157    0.0000 C   0  0
   10.1112  -14.8086    0.0000 N   0  0
    7.9600  -16.2652    0.0000 O   0  0
    6.5200   -0.3300    0.0000 N   0  0
    3.2800   -0.3300    0.0000 C   0  0
    2.2193    0.7307    0.0000 O   0  0
    3.2800   -1.8100    0.0000 C   0  0
    4.5680   -2.5789    0.0000 C   0  0
    2.0000   -2.5000    0.0000 N   0  0
    2.0000   -4.0000    0.0000 C   0  0
    3.2876   -4.7695    0.0000 O   0  0
    0.6800   -4.7100    0.0000 C   0  0
   -0.1784   -4.1970    0.0000 C   0  0
    0.6800   -6.1800    0.0000 N   0  0
   -0.5500   -6.9300    0.0000 C   0  0
   -1.4220   -6.4404    0.0000 O   0  0
   -0.5500   -8.4800    0.0000 C   0  0
    0.7164   -9.2840    0.0000 C   0  0
   -1.8900   -9.1100    0.0000 N   0  0
   -3.2400   -8.6400    0.0000 C   0  0
   -4.4489   -9.5280    0.0000 O   0  0
    2.2499    6.1965    0.0000 C   0  0
    0.8511    6.7381    0.0000 C   0  0
    2.4799    4.7143    0.0000 O   0  0
    2.7502   11.0783    0.0000 C   0  0
    2.5591   12.5661    0.0000 C   0  0
   -7.5704    8.3207    0.0000 C   0  0
   -8.0352    9.7468    0.0000 C   0  0
   -9.0378    8.6314    0.0000 O   0  0
   -8.5739    7.2047    0.0000 C   0  0
   -8.1090    5.7786    0.0000 C   0  0
  -10.0415    7.5147    0.0000 O   0  0
   -5.7440   -0.5898    0.0000 C   0  0
   -7.0596   -1.3104    0.0000 C   0  0
   -5.7107    0.9099    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
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 16 17  1  0
 13 18  1  0
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 18 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
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 30 31  2  0
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 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
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 40 36  1  0
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 45 46  1  0
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 51 52  1  0
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 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  2  3
 58 59  1  0
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 60 61  2  0
 61 62  1  0
 62 63  1  0
 63 23  1  0
 63 64  2  0
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 57 65  1  0
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 66 67  1  0
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 68 69  1  0
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 68 70  1  0
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 78 80  1  0
 80 81  1  0
 80 82  2  0
 54 83  1  0
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 84 85  2  0
 84 86  1  0
 86 87  1  0
 86 88  1  0
 88 89  1  0
 89 90  2  0
 89 91  1  0
 91 92  2  0
 91 93  1  0
 93 94  1  0
 94 95  2  0
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 96 97  1  0
 96 98  1  0
 98 99  1  0
 99  5  1  0
 99100  2  0
 45101  1  0
101102  1  0
101103  1  0
 41104  2  0
104105  1  0
 32106  1  0
106107  1  0
106108  1  0
106109  1  0
109110  1  0
109111  1  0
 11112  1  0
112113  1  0
112114  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12084

> <plate>
PLATE 015

> <well>
B4

> <supplier_cmpd_name>
Thiostrepton

> <ctcr_id>
5469

> <supplier_cmpd_id>
T1679

> <smiles>
CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C4NC(=O)c5csc(n5)C(NC(=O)C6CSC(=N6)C(/NC(=O)C(NC(=O)c7csc(n7)C8(CCC(=NC8c9csc4n9)c%10scc(n%10)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC1=O)C(
C)O)=C\C)C(C)(O)C(C)O)C(C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{FOXM1}

> <broad_moa>
{"FOXM1 inhibitor","protein synthesis inhibitor"}

> <synonyms>
{thiostrepton,Bryamycin,Thiactin,1393-48-2,1393482,SR-05000001899,SR05000001899,NCGC00016576-01,NCGC0001657601,CAS-1393-48-2,CAS1393482,Prestwick2_000522,Prestwick2000522,Prestwick2-000522,"Prestwick2
 000522",DSSTox_CID_20625,DSSToxCID20625,DSSTox-CID-20625,"DSSTox CID 20625",DSSTox_RID_79517,DSSToxRID79517,DSSTox-RID-79517,"DSSTox RID 79517",DSSTox_GSID_40625,DSSToxGSID40625,DSSTox-GSID-40625,"DS
STox GSID 40625",SCHEMBL25847,BSPBio_002468,BSPBio002468,BSPBio-002468,"BSPBio 002468",SPECTRUM1505111,CHEMBL410968,HMS1569J05,HMS2093I06,Pharmak,1505111,THIOSTREPTON}

> <pdid>
PD000625

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{16129666,101290202}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  1  0  0  0
    1.3092    5.2494    0.0000 C   0  0  2  0  0  0
    0.0127    6.0039    0.0000 O   0  0
    2.6108    5.9949    0.0000 C   0  0  1  0  0  0
    2.6160    7.4949    0.0000 O   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2088    5.9860    0.0000 O   0  0
    3.9020    3.7405    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0  2  0  0  0
    2.5984    1.4941    0.0000 C   0  0
    3.8959    0.7415    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  6
  7  6  1  1
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  1  0
 15  7  1  0
 15 16  1  6
 16 17  1  0
  5 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  1  6
 20 22  1  0
 22  3  1  0
 22 23  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12085

> <plate>
PLATE 015

> <well>
B5

> <supplier_cmpd_name>
Chitosan

> <ctcr_id>
6640

> <supplier_cmpd_id>
T1715

> <smiles>
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{alpha-Cellobiose,alphaCellobiose,"CELLOBIOSE (D(+))",alpha-D-cellobiose,alphaDcellobiose,4-O-beta-D-glucopyranosyl-alpha-D-glucopyranose,4ObetaDglucopyranosylalphaDglucopyranose,CHEBI:28676,cellobios
e,beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose,betaDglucopyranosyl(1>4)alphaDglucopyranose,CBK,CELLBIOSE,Spectrum_001154,Spectrum001154,Spectrum-001154,"Spectrum 001154",SpecPlus_000444,SpecPlus
000444,SpecPlus-000444,"SpecPlus 000444",Spectrum2_0,Spectrum20,Spectrum2-0,"Spectrum2 0",T5086,T0586,T1715,T2880,T0584L,T0584,1502231,"D-Lactose monohydrate",Lactose,Chitosan,D-Cellobiose,"D-(+)-Malt
ose monohydrate",Maltose}

> <pdid>
PD158816

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{441014}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -6.4842    5.2598    0.0000 C   0  0
   -6.4790    6.7598    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 O   0  0
   -2.6109   -7.4988    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 18 20  1  0
 20 21  3  0
 12 22  2  0
 22  8  1  0
 22 23  1  0
 23 24  2  0
 24  6  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12086

> <plate>
PLATE 015

> <well>
B6

> <supplier_cmpd_name>
Erlotinib hydrochloride

> <ctcr_id>
2421

> <supplier_cmpd_id>
T0373L

> <smiles>
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

> <pd_targets>
{PIP4K2C,ERBB2,BRAF,EGFR,JAK2,FLT3,FLT4,FRK,CSNK1D,TUBA1A,MET,AURKC,FLT1,RPS6KA4,ABL1,ABL2,BLK,STK10,GAK,ALK,DMPK,COQ8A,CDC42BPG,PDGFRB,MAP2K5,EPHA7,KIT,EIF2AK4,RET,ULK3,MAP3K2,LTK,TYRO3,JAK3,SYK,EPHA
3,TIE1,MAPK4,PDGFRA,CIT,FGR,LYN,TNNI3K,LCK,MYLK2,RIPK2,BMP2K,COQ8B,ERBB4,KDR,EPHA6,PKN2,SRC,AAK1,MAP3K3,SBK1,YES1,CSNK1E,CAMK2D,ERBB3,EPHB6,STK17B,CSK,EPHB4,MKNK2,MAPK9,SRPK3,MAP3K19,SLK,AURKA,AURKB,A
XL,HIPK4,GRK4,DDR1,STK17A,LRRK2,CYP3A4,MKNK1,MAPK10,STK36,EPHA8,TNK1,HCK,PLK4,MERTK,TNIK,TXK,TTK,LMNA,MINK1,SLCO2B1,DAPK3,TYK2,TBK1,DYRK2,PTK2,ABCG2,EIF2AK2,SIK2,RIPK4,EPHB1,EPHA5,ABCC2,ABCB1,RAF1,FGF
R2,PRKD2,SLC22A1,SLCO1B3,SLCO1B1,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Structural protein","Unclassified protein","Other nuclear protein",Transporter,"Transcription factor",Transferase,Kinase,"Cytochrome P450","Electrochemical transporter","Primary active transp
orter","Nuclear receptor","Protein Kinase","Cytochrome P450 family 3","SLC superfamily of solute carriers","ATP-binding cassette","Nuclear hormone receptor subfamily 1","TK protein kinase group","TKL 
protein kinase group","CK1 protein kinase group","Other protein kinase group","AGC protein kinase group","STE protein kinase group","Atypical protein kinase group","CMGC protein kinase group","CAMK pr
otein kinase group","Cytochrome P450 family 3A","SLC21/SLCO family of organic anion transporting polypeptides","ABCG subfamily","ABCC subfamily","ABCB subfamily","SLC22 family of organic cation and an
ion transporters","Nuclear hormone receptor subfamily 1 group I","Tyrosine protein kinase EGFR family","TKL protein kinase RAF family","Tyrosine protein kinase JakA family","Tyrosine protein kinase PD
GFR family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Src family","CK1 protein kinase CK1 family","Tyrosine protein kinase Met family","Other protein kinase AUR family","AGC prot
ein kinase RSK family","Tyrosine protein kinase Abl family","STE protein kinase STE20 family","Other protein kinase NAK family","TKL protein kinase STKR family","AGC protein kinase DMPK family","STE p
rotein kinase STE7 family","Tyrosine protein kinase Eph family","Other protein kinase PEK family","Tyrosine protein kinase Ret family","Other protein kinase ULK family","STE protein kinase STE11 famil
y","Tyrosine protein kinase Alk family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Tie family","CMGC protein kinase MAPK family","TKL protein ki
nase MLK family","CAMK protein kinase MLCK family","TKL protein kinase RIPK family","Atypical protein kinase ABC1 family","AGC protein kinase PKN family","Other protein kinase NKF1 family","CAMK prote
in kinase CAMK2 family","CAMK protein kinase DAPK family","Tyrosine protein kinase Csk family","CAMK protein kinase MAPKAPK family","CMGC protein kinase SRPK family","CMGC protein kinase DYRK family",
"AGC protein kinase GRK family","Tyrosine protein kinase DDR family","TKL protein kinase LRRK family","Cytochrome P450 3A4","Tyrosine protein kinase Ack family","Other protein kinase PLK family","Tyro
sine protein kinase Tec family","Other protein kinase TTK family","Other protein kinase IKK family","Tyrosine protein kinase Fak family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase FGF
R family","CAMK protein kinase PKD family","Nuclear hormone receptor subfamily 1 group I member 2","AGC protein kinase MSK subfamily","STE protein kinase SLK subfamily","TKL protein kinase STKR Type 1
 subfamily","AGC protein kinase GEK subfamily","Other protein kinase GCN2 subfamily","STE protein kinase MEKK2","CMGC protein kinase ERK3","AGC protein kinase CRIK subfamily","TKL protein kinase HH498
 subfamily","Atypical protein kinase ABC1-A subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase JNK subfamily","CMGC protein kinase HIPK subfamily","AGC protein kinase GRK subfamily","
STE protein kinase MSN subfamily","CMGC protein kinase Dyrk2 subfamily","Other protein kinase PKR","CAMK protein kinase QIK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Kinases (EC 2.7.x.x)","Catalytic receptors",Tubulins,"Cytochrome P450","SLC superfamily of solute carriers","ATP-binding cassette transporter f
amily","Nuclear hormone receptors","Lipid modifying kinases","Receptor kinases","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile
 20 kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","CYP3 family","SLCO family of organic anion transporting polypeptides","ABCG 
subfamily","ABCC subfamily","ABCB subfamily","SLC22 family of organic cation and anion transporters","1I. Vitamin D receptor-like receptors","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-
kinase family)","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Casein kinase 1 (CK1) family","Other protein kinases","RSK family","STE20 family","DMPK family","ABC1 family","STE7 family","STE11 fa
mily","Mitogen-activated protein kinases (MAP kinases)","Myosin Light Chain Kinase (MLCK) family","Protein kinase N (PKN) family","CAMK2 family","Death-associated kinase (DAPK) family","MAPK-Activated
 Protein Kinase (MAPKAPK) family","SRPK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","G protein-coupled receptor kinases (GRKs)","CAMK-like (CAMKL) family","P
rotein kinase D (PKD) family","Organic cation transporters (OCT)","Receptor tyrosine kinases (RTKs)","RAF family","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family","MSK subfamily","
SLK subfamily","Numb-associated kinase (NAK) family","GEK subfamily","ABC1-B subfamily","PEK family","Unc-51-like kinase (ULK) family","ERK subfamily","Other DMPK family kinases","Mixed Lineage Kinase
 (MLK) family","Receptor interacting protein kinase (RIPK) family","NAK family","NKF1 family","MKN subfamily","JNK subfamily","STE20 subfamily","HIPK subfamily","GRK4 subfamily","Leucine-rich repeat k
inase (LRRK) family","Polo-like kinase (PLK) family","MSN subfamily","TTK family","IKK family","Dyrk2 subfamily","QIK subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Janus ki
nase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Src family","Type X RTKs: HGF (hepatocyte growth f
actor) receptor family","Abl family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIII RTKs: Ephrin receptor family","GCN2 subfamily","Type XIV RTKs: RET","Type XI RTKs: TAM 
(TYRO3-","AXL- and MER-TK) receptor family","Syk family","Type XII RTKs: TIE family of angiopoietin receptors","HH498 subfamily","Csk family","Type XVI RTKs: DDR (collagen receptor) family","Ack famil
y","Tec family","Fak family","Other PEK family kinases","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Developmental Biology","Signal Transduction","Cell Cycle",Disease,"Immune System","Vesicle-mediated transport","Muscle contraction","Cellular responses to external 
stimuli","Neuronal System","Extracellular matrix organization",Metabolism,Hemostasis,"Transport of small molecules","Programmed Cell Death","Metabolism of proteins","RNA Polymerase II Transcription","
Nervous system development","Signaling by Receptor Tyrosine Kinases","Signaling by GPCR",Mitotic,"Intracellular signaling by second messengers","Infectious disease","Innate Immune System","Membrane Tr
afficking","Cardiac conduction","Diseases of signal transduction by growth factor receptors and second messengers","Cellular responses to stress","Signaling by Hedgehog","Cytokine Signaling in Immune 
system","MAPK family signaling cascades","Signaling by Rho GTPases","Transmission across Chemical Synapses","Non-integrin membrane-ECM interactions","Signaling by Non-Receptor Tyrosine Kinases","Metab
olism of lipids","Cell surface interactions at the vascular wall","SLC-mediated transmembrane transport",Apoptosis,"Abacavir transport and metabolism","Disorders of transmembrane transporters","Post-t
ranslational protein modification","Generic Transcription Pathway","Axon guidance","Signaling by NTRKs","GPCR downstream signalling","Mitotic G1 phase and G1/S transition","Signaling by Insulin recept
or","Signaling by VEGF","PIP3 activates AKT signaling","Mitotic G2-G2/M phases","Leishmania infection","Neutrophil degranulation","trans-Golgi Network Vesicle Budding","Ion homeostasis","Signaling by 
KIT in disease","Response of EIF2AK4 (GCN2) to amino acid deficiency","Hedgehog 'on' state","Signaling by Interleukins","MAPK6/MAPK4 signaling","Signaling by PDGFR in disease","RHO GTPase Effectors","
HIV Infection","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Clathrin-mediated endocytosis","Oncogenic MAPK signaling","M Phase","Signaling by PTK6",
"Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by FGFR","Cellular Senescence","Fc epsilon receptor (FCERI) signaling","Transport of vitamins",nucleosides,"and related molecules
","Caspase activation via extrinsic apoptotic signalling pathway","Interferon Signaling","Abacavir transmembrane transport","Influenza Infection","ABC transporter disorders","MAPK1/MAPK3 signaling","S
ignaling by FGFR in disease","Sphingolipid metabolism","Transport of bile salts and organic acids","metal ions and amine compounds","Metabolism of steroids",SUMOylation,"Transcriptional Regulation by 
TP53","Semaphorin interactions","Signaling by NTRK1 (TRKA)","G alpha (q) signalling events","G1 Phase","Insulin receptor signalling cascade","VEGF ligand-receptor interactions","PTEN Regulation","G2/M
 Transition","L1CAM interactions","Parasite infection","Signaling by ROBO receptors","Transcriptional regulation by RUNX1","Golgi Associated Vesicle Biogenesis","Negative regulation of the PI3K/AKT ne
twork","EPH-Ephrin signaling","Drug resistance of KIT mutants","RET signaling","Interleukin-2 family signaling","Leishmania parasite growth and survival","Drug resistance of PDGFR mutants","RHO GTPase
s activate CIT","Host Interactions of HIV factors","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","VEGFA-VEGFR2 Pathway","RHO GTPases activate PKNs","Carg
o recognition for clathrin-mediated endocytosis","Interleukin-1 family signaling","Signaling by RAS mutants","Mitotic Metaphase and Anaphase","G alpha (i) signalling events","PTK6 promotes HIF1A stabi
lization","Biosynthesis of DHA-derived SPMs","Signaling by FGFR4","Oxidative Stress Induced Senescence","FCERI mediated Ca+2 mobilization","Transport of organic anions","Caspase activation via Depende
nce Receptors in the absence of ligand","Interferon alpha/beta signaling","Toll Like Receptor 4 (TLR4) Cascade","NS1 Mediated Effects on Host Pathways","Defective ABCC2 causes DJS","RAF/MAP kinase cas
cade","Signaling by FGFR2 in disease","Sphingolipid de novo biosynthesis","Organic cation/anion/zwitterion transport","Bile acid and bile salt metabolism","SUMO E3 ligases SUMOylate target proteins","
Regulation of TP53 Activity","Sema4D in semaphorin signaling","Signalling to ERKs","Gastrin-CREB signalling pathway via PKC and MAPK","Cyclin D associated events in G1","IRS-mediated signalling","VEGF
 binds to VEGFR leading to receptor dimerization","Regulation of PTEN stability and activity","Centrosome maturation","Recycling pathway of L1","Leishmania phagocytosis","Role of ABL in ROBO-SLIT sign
aling","RUNX1 regulates transcription of genes involved in BCR signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Signalling to ERK5","EPHA-mediated growth cone collapse","Dasatinib-resistan
t KIT mutants","Interleukin-15 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Imatinib-resistant PDGFR mutants","The role of Nef in HIV-1 replication and disease path
ogenesis","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","VEGFR2 mediated cell proliferation","Interleukin-1 signaling","EPHB-mediated forward signaling","Signalin
g downstream of RAS mutants","Mitotic Anaphase","Visual phototransduction","Biosynthesis of maresins","Negative regulation of FGFR4 signaling","Regulation of IFNA signaling","MyD88-independent TLR4 ca
scade","Inhibition of PKR","Negative regulation of MAPK pathway","FGFR2 mutant receptor activation","Organic cation transport","Recycling of bile acids and salts","SUMOylation of intracellular recepto
rs","Regulation of TP53 Activity through Acetylation","Sema4D induced cell migration and growth-cone collapse","Prolonged ERK activation events","EGFR Transactivation by Gastrin","PI3K Cascade","Loss 
of proteins required for interphase microtubule organization from the centrosome","Sema4D mediated inhibition of cell attachment and migration","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 syn
thesis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","MAP kinase activation","Long-term potentiation","Signalling to RAS","CREB1 phosphorylation thr
ough NMDA receptor-mediated activation of RAS signaling","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids","The phototransduction cascade","Biosynthesis of maresi
n-like SPMs","Spry regulation of FGF signaling","Nef and signal transduction","Nuclear Envelope (NE) Reassembly","TRIF(TICAM1)-mediated TLR4 signaling","Negative feedback regulation of MAPK pathway","
Activated point mutants of FGFR2","PI5P Regulates TP53 Acetylation","ARMS-mediated activation","Loss of Nlp from mitotic centrosomes","Nef Mediated CD4 Down-regulation","activated TAK1 mediates p38 MA
PK activation","p38MAPK events","Ras activation upon Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear events mediated by MAP kinases",Inactivation,"recovery and regulation of the phototransdu
ction cascade","Initiation of Nuclear Envelope (NE) Reformation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{EGFR,NR1I2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{HMS3244N19,Erlotinib,183321-74-6,183321746,"N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine","N(3Ethynylphenyl)6,7bis(2methoxyethoxy)quinazolin4amine","Erlotinib free base","4-((3-Ethy
nylphenyl)amino)-6,7-bis(2-methoxyethoxy)quinazoline","4((3Ethynylphenyl)amino)6,7bis(2methoxyethoxy)quinazoline",OSI-774,OSI774,4-Quinazolinamine,4Quinazolinamine,N-(3-ethynylphenyl)-6,N(3ethynylphen
yl)6,7-bis(2-me,7bis(2me,T0373,S1023,Prestw-1242,"Erlotinib Hydrochloride",ERLOTINIB}

> <pdid>
PD003356

> <targets>
{EGFR(HER),EGFR}

> <classes>
{}

> <pubchem_cids>
{176870}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5925    4.6865    0.0000 C   0  0
   -7.0558    6.1131    0.0000 C   0  0
   -6.0520    7.2277    0.0000 C   0  0
   -4.5848    6.9156    0.0000 C   0  0
   -4.1215    5.4889    0.0000 C   0  0
   -6.5126    8.6561    0.0000 C   0  0
   -7.9792    8.9707    0.0000 O   0  0
   -5.5066    9.7698    0.0000 N   0  0
   -5.9672   11.1982    0.0000 C   0  0  1  0  0  0
   -4.9612   12.3120    0.0000 C   0  0
   -5.4218   13.7403    0.0000 C   0  0
   -4.4158   14.8541    0.0000 C   0  0
   -4.8762   16.2817    0.0000 O   0  0
   -2.9492   14.5394    0.0000 O   0  0
   -7.4340   11.5161    0.0000 C   0  0
   -7.8928   12.9442    0.0000 O   0  0
   -8.4417   10.4050    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10  6  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 19 21  1  0
 22 21  1  6
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 22 28  1  0
 28 29  2  0
 28 30  1  0
  7 31  1  0
 31  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12087

> <plate>
PLATE 015

> <well>
B7

> <supplier_cmpd_name>
Pemetrexed disodium

> <ctcr_id>
10953

> <supplier_cmpd_id>
T0189L

> <smiles>
Nc1nc(=O)c2c([nH]cc2CCc2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]1

> <pd_targets>
{GART,TYMS,DHFR,THYA,FOLA,SHMT1,SLC46A1,FOLR2,ALOX15B,DFRA17,FOLR1,ATIC,SLC19A1}

> <pathway_gtopdb>
{Enzyme,Transporter,"Membrane receptor",Ligase,Transferase,Oxidoreductase,"Electrochemical transporter","SLC superfamily of solute carriers","SLC46 family of folate transporters","SLC19 family of vita
min transporters"}

> <pathway_chembl>
{Enzymes,Transporters,"2.1.2.- Hydroxymethyl-","formyl- and related transferases","2.1.1.- Methyltransferases","1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","Eicosanoid turnover","SLC
46 family of folate transporters",Lipoxygenases,"SLC19 family of vitamin transporters"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Metabolism of proteins","Metabolism of nucleotides",Mitotic,"Metabolism of vitamins and cofactors","Metabolism of lipids","Post-translational protein modification","Nucleobas
e biosynthesis","Mitotic G1 phase and G1/S transition","Metabolism of water-soluble vitamins and cofactors","Fatty acid metabolism","Asparagine N-linked glycosylation","Purine ribonucleoside monophosp
hate biosynthesis","G1/S Transition","Metabolism of folate and pterines","Arachidonic acid metabolism","Transport to the Golgi and subsequent modification","G1/S-Specific Transcription","Synthesis of 
15-eicosatetraenoic acid derivatives","ER to Golgi Anterograde Transport","Cargo concentration in the ER"}

> <broad_targets>
{ATIC,DHFR,GART,TYMS}

> <broad_moa>
{"dihydrofolate reductase inhibitor","thymidylate synthase inhibitor"}

> <synonyms>
{Pemetrexed,137281-23-3,"Pemetrexed disodium",Alimta,LY231514,UNII-04Q9AIZ7NO,"Pemetrexed acid",CHEBI:63616,04Q9AIZ7NO,LY-231514,C20H21N5O6,"137281-23-3 (free acid)","LY 231514",NSC-698037,LY-2315,"Al
imta (TN)",LYA,"Pemetrexed (INN:BAN)","HSDB 7316",1juj,"Pemetrexed (TN)","Pemetrexed (INN)","Alimta (TN) (Lilly)",SCHEMBL7968,"US9422297, Pemetrexed",CHEMBL225072,DTXSID2048329,"Premetrexed (Common mi
s-spelling)",ZINC1540998,BDBM50027656,CP0119,NSC698037,AKOS015896253,AKOS016842348,AC-1701,CS-1297,DB00642,NCGC00166414-11,NCGC00167517-01,NCGC00242485-01,AS-30680,HY-10820,DB-024764,P2288,A12668,D074
72,S-4927,41413-EP2270012A1,41413-EP2270013A1,41413-EP2305681A1,41413-EP2311838A1,41421-EP2270012A1,41421-EP2270013A1,41421-EP2305681A1,41421-EP2311838A1,89077-EP2270012A1,89077-EP2270013A1,89077-EP23
05681A1,AB01273937-01,281P233,Q415220,J-502393,"L-Glutamic acid,3-d)pyrimidin-5-yl)ethyl)benzoyl)-",1006872-74-7,T0189}

> <pdid>
PD009875

> <targets>
{DHFR,GARFT,"Thymidylate synthase"}

> <classes>
{"DNA Damage/DNA Repair",Metabolism}

> <pubchem_cids>
{135410875}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    3.8926   -3.7566    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12088

> <plate>
PLATE 015

> <well>
B8

> <supplier_cmpd_name>
(S)-(+)-Ketoprofen

> <ctcr_id>
5066

> <supplier_cmpd_id>
T0839L

> <smiles>
CC(C(O)=O)c1cccc(c1)C(=O)c2ccccc2

> <pd_targets>
{AMPC,PMP22,KDM4E,HPGD,PTGS2,SMN1,CYP3A4,PTGS1,LMNA,ALDH1A1,HSD17B10,MAPK1,MAPT,SLC22A7,SLC22A6,SLC5A8,CXCR1,CXCL8,CXCR2,THPO,HIF1A,RECQL,RORC,ALD}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Epigenetic regulator","Other nuclear protein","Other cytosolic protein",Transporter,"Membrane receptor","Secreted protein","Transcription factor",Hydrolase,Eraser,Oxido
reductase,Reader,"Cytochrome P450",Kinase,"Electrochemical transporter","Family A G protein-coupled receptor","Lysine demethylase","Methyl-lysine/arginine binding protein","Cytochrome P450 family 3","
Protein Kinase","SLC superfamily of solute carriers","Peptide receptor (family A GPCR)","Jumonji domain-containing","Tudor domain","Cytochrome P450 family 3A","CMGC protein kinase group","SLC22 family
 of organic cation and anion transporters","Chemokine receptor","Cytochrome P450 3A4","CMGC protein kinase MAPK family","CXC chemokine receptor","CMGC protein kinase ERK1","Nuclear receptor","Nuclear 
hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Chromatin modifying enzymes","Eicosanoid turnover","Cytochrome P450","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","G protein-coupled receptors","1.14.11
.- Histone demethylases","Prostaglandin synthases",Cyclooxygenase,"CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC22 family of organic cation and anion transporters","SLC5 family of 
sodium-dependent glucose transporters","Chemokine receptors","Mitogen-activated protein kinases (MAP kinases)","Organic anion transporters (OATs)","Sodium iodide symporter","sodium-dependent multivita
min transporter and sodium-coupled monocarboxylate transporters","ERK subfamily","Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Developmental Biology",Metabolism,"Metabolism of RNA","Cell Cycle","Immune System","Neuronal System","Transport of small molecules","Signal Transduction",Hemostasis,"Cellular responses to external s
timuli","Nervous system development","Metabolism of lipids","Metabolism of non-coding RNA",Mitotic,"Biological oxidations","Metabolism of amino acids and derivatives","Innate Immune System","Transmiss
ion across Chemical Synapses","SLC-mediated transmembrane transport","Metabolism of vitamins and cofactors","Signaling by GPCR","Platelet activation","signaling and aggregation","Cellular responses to
 stress","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of specialized proresolving mediators (SPMs)","snRNP Assembly","Fatty acid metabolism","M Phase","Phase I - Func
tionalization of compounds","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Transport of bile salts and organic 
acids","metal ions and amine compounds","Metabolism of water-soluble vitamins and cofactors","GPCR ligand binding","Platelet Aggregation (Plug Formation)","Cellular response to hypoxia","Biosynthesis 
of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Mitotic Metaphase and Anaphase","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA rec
eptors and postsynaptic events","Organic cation/anion/zwitterion transport","Nicotinate metabolism","Class A/1 (Rhodopsin-like receptors)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible 
Factor Alpha","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresins","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Mitotic Anaphase","MyD88 cascade i
nitiated on plasma membrane","Post NMDA receptor activation events","Organic anion transport","Nicotinamide salvaging","Peptide ligand-binding receptors","Biosynthesis of maresin-like SPMs","Nuclear E
nvelope (NE) Reassembly","MAP kinase activation","Activation of AMPK downstream of NMDARs","Chemokine receptors bind chemokines","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclea
r events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated","Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulat
ion by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{PTGS1,PTGS2,SLC5A8}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{ketoprofen,22071-15-4,22071154,"2-(3-Benzoylphenyl)propanoic acid","2(3Benzoylphenyl)propanoic acid","2-(3-Benzoylphenyl)propionic acid","2(3Benzoylphenyl)propionic acid",Orudis,"m-Benzoylhydratropic
 acid","mBenzoylhydratropic acid",Ketoprofene,Profenid,Oruvail,Actron,"3-Benzoylhydratropic acid","3Benzoylhydratropic acid",Alrheumun,Capisten,Epatec,Aneol,"Orudis (TN)",Ket,T0839,T0839L,SAM002264620
,1501215,Prestw-219,Ketoprofen,(S)-(+)-Ketoprofen,CPD000040181,KETOPROFEN}

> <pdid>
PD001443

> <targets>
{Apoptosis,COX}

> <classes>
{antiinflammatory,Apoptosis,Immunology/Inflammation}

> <pubchem_cids>
{3825}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 40  0  0  0  0            999 V2000
    8.8995    2.2439    0.0000 H   0  3
    6.3995    2.2439    0.0000 Cl  0  5
    3.8976   -0.7500    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    3.8982   -2.2498    0.0000 C   0  0
    2.5997   -3.0012    0.0000 C   0  0
    1.3009   -3.7516    0.0000 O   0  0
    3.8988   -3.7512    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  -11.6982    3.7390    0.0000 C   0  0
  -12.9973    4.4890    0.0000 O   0  0
  -12.9977    2.9881    0.0000 C   0  0
  -12.9972    1.4881    0.0000 C   0  0
  -14.2960    0.7377    0.0000 C   0  0
  -15.5953    1.4872    0.0000 C   0  0
  -15.5958    2.9872    0.0000 C   0  0
  -14.2970    3.7377    0.0000 C   0  0
  -11.6978    5.2398    0.0000 C   0  0
  -10.3985    5.9894    0.0000 C   0  0
  -10.3981    7.4894    0.0000 C   0  0
  -11.6969    8.2398    0.0000 C   0  0
  -12.9961    7.4902    0.0000 C   0  0
  -12.9966    5.9902    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  2  0
  4  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 26 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12089

> <plate>
PLATE 015

> <well>
B9

> <supplier_cmpd_name>
Fexofenadine hydrochloride

> <ctcr_id>
3216

> <supplier_cmpd_id>
T1470L

> <smiles>
[H+].[Cl-].CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4

> <pd_targets>
{BLM,HRH1,KCNH2,LMNA,APEX1,HSD17B10,ALOX15}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel","Other nuclear protein","Family A G protein-coupled receptor","Voltage-gated ion channel",Oxidoreductase,"Small molecule receptor (family A GPCR)","Potassium 
channels","Monoamine receptor","Voltage-gated potassium channel","Histamine receptor"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"G protein-coupled receptors","Voltage-gated ion channels","Eicosanoid turnover","Histamine receptors","Potassium channels",Lipoxygenases,"Voltage-gated potassium cha
nnels"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction","Muscle contraction","Cell Cycle",Metabolism,"DNA Double-Strand Break Repair","Signaling by GPCR","Cardiac conduction",Mitotic,"Base Excision Repair","Metabolism of
 amino acids and derivatives","Metabolism of lipids","Homology Directed Repair","GPCR ligand binding","Phase 3 - rapid repolarisation","M Phase","Resolution of Abasic Sites (AP sites)","Branched-chain
 amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like receptors)"
,"Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Biosynthesis of DPA-derived SPMs","HDR through Homologous Recombination (HRR)","Amine 
ligand-binding receptors","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","Biosynthesis of DPAn-3 SPMs","Homologous DNA Pairing and Strand Exchange","Histamine receptors","Nuclear 
Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{138452-21-8,138452218,"138452 21 8",AKOS015896119,AKOS015896444,A807389,"FEXOFENADINE HYDROCHLORIDE",153439-40-8,153439408,"153439 40 8","FEXOFENADINE HCL",Telfast,"Fexofenidine hydrochloride","MDL 1
6,455A","Fexofenadine (hydr",T1470L,T1470,S3208,SAM002700173,1504179,Prestw-1102,"Fexofenadine hydrochloride","Fexofenadine HCl",CPD000718798}

> <pdid>
PD002734

> <targets>
{"Histamine Receptor"}

> <classes>
{"Neuronal Signaling","nonsedating H1-antihistamine"}

> <pubchem_cids>
{45108248,63002,16417045}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -10.4029    2.9841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -13.0029    2.9796    0.0000 O   0  0
  -14.2982    0.7277    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
  7 21  1  0
 21 22  1  0
 21 23  2  0
 23  3  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12090

> <plate>
PLATE 015

> <well>
B10

> <supplier_cmpd_name>
Acitretin

> <ctcr_id>
4957

> <supplier_cmpd_id>
T1330

> <smiles>
COc1cc(C)c(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)c(C)c1C

> <pd_targets>
{SMN1,MAPT,ALDH1A1,ABCB11,ABCC4,RARA,RARB,RARG,RXRA,RXRB,RXRG,RBP1}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Enzyme,Transporter,"Transcription factor",Reader,Oxidoreductase,"Primary active transporter","Nuclear receptor","Methyl-lysine/arginine binding protei
n","ATP-binding cassette","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 2","Tudor domain","ABCB subfamily","ABCC subfamily","Nuclear hormone receptor subfamily 1 group B",
"Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subfamily 1 group B member 1","Nuclear hormone receptor subfamily 2 group B member 1","Nuclear hormone receptor subfamily 1 gro
up B member 2","Nuclear hormone receptor subfamily 1 group B member 3","Nuclear hormone receptor subfamily 2 group B member 2","Nuclear hormone receptor subfamily 2 group B member 3"}

> <pathway_chembl>
{Transporters,Receptors,"Other protein targets","ATP-binding cassette transporter family","Nuclear hormone receptors","Fatty acid-binding proteins","ABCB subfamily","ABCC subfamily","2B. Retinoid X re
ceptors","1B. Retinoic acid receptors"}

> <pathway_reactome>
{"Metabolism of RNA","Neuronal System",Metabolism,Hemostasis,"Metabolism of proteins","Gene expression (Transcription)","Signal Transduction","Metabolism of non-coding RNA","Transmission across Chemic
al Synapses","Biological oxidations","Metabolism of lipids","Platelet activation","signaling and aggregation","Post-translational protein modification","RNA Polymerase II Transcription","Signaling by 
GPCR","snRNP Assembly","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Metabolism of steroids","Response to elevated platelet cytosolic Ca
2+",SUMOylation,"Generic Transcription Pathway","GPCR downstream signalling","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Bile acid and bile salt metabolism","Platelet d
egranulation","SUMO E3 ligases SUMOylate target proteins","Nuclear Receptor transcription pathway","G alpha (i) signalling events","Post NMDA receptor activation events","Synthesis of bile acids and b
ile salts","SUMOylation of intracellular receptors","Visual phototransduction","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Synthes
is of bile acids and bile salts via 27-hydroxycholesterol","The canonical retinoid cycle in rods (twilight vision)"}

> <broad_targets>
{RARA,RARB,RARG,RBP1,RXRA,RXRB,RXRG,STAT3}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{Acitretin,55079-83-9,55079839,Etretin,Soriatane,Neotigason,all-trans-Acitretin,alltransAcitretin,Acitretine,"Retinoid etretin",Acitretina,Acitretinum,TMMP,"Ro 10-1670","Ro 101670",13-cis-Acitretin,13
cisAcitretin,"Ro 10-1670/000","Ro 101670/000",UNII-LCH760E9T7,UNIILCH760E9T7,CHEBI:50173,Ro-101670000,Ro101670000,LCH760E9T7,54757-46-9,54757469,NCGC,T1330,SAM002589973,Prestw-1165,CPD000499573}

> <pdid>
PD003196

> <targets>
{Apoptosis,Autophagy,RAR/RXR}

> <classes>
{Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5284513}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  9  0  0  1  0            999 V2000
    5.2000   -1.5000    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0  2  0  0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 N   0  0
    0.0007    0.0004    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7992    0.0004    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  2  8  1  0
  8  9  1  0
  8 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12091

> <plate>
PLATE 015

> <well>
B11

> <supplier_cmpd_name>
L-Glutamine

> <ctcr_id>
1642

> <supplier_cmpd_id>
T0326L

> <smiles>
N[C@H](CCC(N)=O)C(O)=O

> <pd_targets>
{PMP22,BLM,ALOX15,SLC1A5,GPRC6A,CTPS1,PPAT,HIF1A,CYP3A4,TSHR,LMNA}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,Transporter,"Membrane receptor",Oxidoreductase,"Family C G protein-coupled receptor",Transferase,"Transcription factor","Other nuclear protein","Cytochrome P450","Family
 A G protein-coupled receptor","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Glycohormone receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","G protein-coupled receptors","Peptidases and proteinases",Lipoxygenases,"Orphan and other 7TM receptors","PB: Threonine (T) Peptidases","Class C Orphans","C44
: Phosphoribosyl pyrophosphate amidotransferase","Cytochrome P450","CYP3 family","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Developmental Biology","DNA Repair",Metabolism,"Signal Transduction","Nervous system development","DNA Double-Strand Break Repair","Metabolism of lipids","Signaling by GPCR","Metabolism of nucleotid
es","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Interconversio
n of nucleotide di- and triphosphates","Nucleobase biosynthesis","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DPA-derived SPMs","G alpha (q) signallin
g events","Purine ribonucleoside monophosphate biosynthesis","HDR through Homologous Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Homologous DNA Pairing and Strand Exchange","Biosynthesis of DP
An-3-derived protectins and resolvins","Presynaptic phase of homologous DNA pairing and strand exchange","Cellular responses to external stimuli",Disease,"Cell Cycle","Cellular responses to stress","I
nfectious disease",Mitotic,"Cellular response to hypoxia","Leishmania infection","M Phase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs"
,"Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Biosynth
esis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CTPS1,GLUL,GPRC6A,PPAT}

> <broad_moa>
{}

> <synonyms>
{D-glutamine,Dglutamine,5959-95-5,5959955,H-D-Gln-OH,HDGlnOH,"D-2-Aminoglutaramic acid","D2Aminoglutaramic acid","(R)-2,5-diamino-5-oxopentanoic acid","(R)2,5diamino5oxopentanoic acid",L(+)-Glutamine,
L(+)Glutamine,"(2R)-2-amino-4-carbamoylbutanoic acid","(2R)2amino4carbamoylbutanoic acid","D-Glutamic acid 5-amide","DGlutamic acid 5amide",UNII-63HB36CA2Y,UNII63HB36CA2Y,D-Gln,DGln,"(2R)-2,5-diamino-
5-oxopentanoic acid","(2R)2,5diamino5oxopentanoic acid",T0326,T0326L,T6468,1500987,DL-Glutamine,L-Glutamine,"GLUTAMINE (D)"}

> <pdid>
PD001524

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{145815,6992096}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 41  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 Br  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2960    5.2508    0.0000 C   0  0  2  0  0  0
    0.0048    5.9994    0.0000 C   0  0  2  0  0  0
    0.0010    4.4994    0.0000 O   0  0
    0.0078    7.5003    0.0000 C   0  0
    1.3083    8.2477    0.0000 C   0  0
    1.3112    9.7477    0.0000 C   0  0
    0.0136   10.5003    0.0000 C   0  0
   -1.2869    9.7528    0.0000 C   0  0
   -1.2898    8.2528    0.0000 C   0  0
    2.6117   10.4952    0.0000 C   0  0
    3.9093    9.7427    0.0000 C   0  0
    3.9064    8.2427    0.0000 C   0  0
    2.6059    7.4952    0.0000 C   0  0
    1.3018    5.2442    0.0000 C   0  0
    1.2971    3.7433    0.0000 C   0  0
    2.5941    2.9881    0.0000 N   0  0
    2.5894    1.4881    0.0000 C   0  0
    3.8957    3.7336    0.0000 C   0  0
   -2.5944    6.0034    0.0000 C   0  0
   -2.5940    7.5035    0.0000 C   0  0
   -3.8928    8.2540    0.0000 C   0  0
   -5.1921    7.5044    0.0000 C   0  0
   -5.1926    6.0044    0.0000 C   0  0
   -3.8938    5.2540    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8994    3.7477    0.0000 O   0  0
   -5.1974    2.9959    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 12 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
  8 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
  7 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
  6 31  2  0
 31 32  1  0
 32 33  1  0
 31 34  1  0
 34 35  2  0
 35  4  1  0
 35 36  1  0
 36 37  2  0
 37  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12092

> <plate>
PLATE 015

> <well>
C2

> <supplier_cmpd_name>
Bedaquiline

> <ctcr_id>
11104

> <supplier_cmpd_id>
T2585

> <smiles>
Brc1cc2cc([C@H]([C@](O)(c3c4c(ccc3)cccc4)CCN(C)C)c3ccccc3)c(OC)nc2cc1

> <pd_targets>
{REP,ATPE,KCNH2,ATPA,ATPB,ATPC,ATPD,ATPF,ATPFH,ATPG}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,"Ion channel",Transferase,"Primary active transporter","Voltage-gated ion channel",Hydrolase,"F-type and V-type ATPases","Potassium channels","Voltage-gated 
potassium channel"}

> <pathway_chembl>
{"Other protein targets","Ion channels","Anti-infective targets","Voltage-gated ion channels","Viral protein targets","Potassium channels","Coronavirus (CoV) proteins","Voltage-gated potassium channel
s"}

> <pathway_reactome>
{Disease,"Muscle contraction","Infectious disease","Cardiac conduction","SARS-CoV Infections","Phase 3 - rapid repolarisation","SARS-CoV-2 Infection","SARS-CoV-2 Genome Replication and Transcription",
"Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{Bedaquiline,TMC207,843663-66-1,843663661,Sirturo,TMC-207,R207910,"TMC 207","R 207910",CHEBI:72292,UNII-78846I289Y,UNII78846I289Y,R-207910,"843663-66-1 (free base)","843663661 (free base)",MMV689758,7
8846I289Y,BDQ,AIDS-222089,AIDS222089,"Bedaquiline (USAN:INN)",bedaquilina,bedaquilinum,"HSDB 8217",BQ1,T2585}

> <pdid>
PD009177

> <targets>
{"Tubercle bacillus"}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{5388906}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 12  1  0
 19 20  1  0
 20  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12093

> <plate>
PLATE 015

> <well>
C3

> <supplier_cmpd_name>
Apigenin

> <ctcr_id>
1229

> <supplier_cmpd_id>
T2175

> <smiles>
Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2

> <pd_targets>
{THPO,KMT2A,MEN1,LMNA,NFKB1,HBB,CYP2C19,NFO,HIF1A,ALOX15,HPGD,CYP2D6,CYP3A4,GMNN,ABCB1,POL,GUSB,CSNK2A1,SYK,PIM1,MAPK10,LPO,ADORA2A,MAOB,TSHR,CYP1B1,XDH,PTGS2,ELANE,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,
GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,NANH,GSK3B,IP6K2,TNKS,MYOC,FFP,MAOA,DPP3,EGFR,CYP19A1,TTR,NLRP3,CYP1A2,KDM4E,ALDH1A1,BACE1,ESR2,NA,HSD17B10,SMN1,TDP1,MAPT,PARP
1,CFTR,DPP4,CDK6,AKR1B1,ADORA1,LYZ1,ESR1,CDK5,CDK5R1,GSK3A,FABI,MAPK14,HSD17B3,AURKB,CA4,MPO,MUC1,DAPK1,CSNK2A2,CSNK2A3,CSNK2B,PYK,PMP22,APEX1,IPMK,TNKS2,BCHE,FLT3,CCNB1,CCNB2,CCNB3,CDK1,CYP1A1,THRB,N
PC1,IMPA1,APP,ACHE,CA2,CA3,CA1,RORC,GNAI1,RGS12,CYP2C9,PFMRK,MAPK1,NKX2-5,REP,PKM,ALD,NPSR1,LCK,AR,HSD17B1,AKR1B10,PSMB5,ABCG2,ABCC1,GATA4,NOX4,PPARG}

> <pathway_gtopdb>
{"Unclassified protein","Epigenetic regulator","Other nuclear protein","Other cytosolic protein","Secreted protein",Enzyme,"Transcription factor",Transporter,"Membrane receptor","Ion channel",Reader,"
Cytochrome P450",Hydrolase,Oxidoreductase,"Primary active transporter",Kinase,"Family A G protein-coupled receptor",Protease,"Ligand-gated ion channel",Transferase,Eraser,"Nuclear receptor","Other ion
 channel",Lyase,Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 3","ATP-binding cassette","Protein Kinase","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","
Cytochrome P450 family 1","Serine protease","GABA-A receptor","Metallo protease","Cytochrome P450 family 19","Lysine demethylase","Aspartic protease","Nuclear hormone receptor subfamily 3","Methyl-lys
ine/arginine binding protein","Chloride channel","Nuclear hormone receptor subfamily 1","Cysteine protease","Threonine protease","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P45
0 family 3A","ABCB subfamily","Other protein kinase group","TK protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Nucleotide-like receptor (family A GPCR)","Glycohormone re
ceptor","Cytochrome P450 family 1B","Serine protease PA clan","Metallo protease MAE clan","Cytochrome P450 family 19A","Cytochrome P450 family 1A","Jumonji domain-containing","Aspartic protease AA cla
n","Nuclear hormone receptor subfamily 3 group A","Tudor domain","Cystic fibrosis transmembrane conductance regulator","Serine protease SC clan","Nuclear hormone receptor subfamily 1 group A","Cystein
e protease CA clan","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group C","Threonine protease PBT clan","ABCG subfamily
","ABCC subfamily","Nuclear hormone receptor subfamily 1 group C","Cytochrome P450 2C19","Cytochrome P450 2D6","Cytochrome P450 3A4","Other protein kinase CK2 family","Tyrosine protein kinase Syk fami
ly","CAMK protein kinase PIM family","CMGC protein kinase MAPK family","Adenosine receptor","Cytochrome P450 1B1","Serine protease S1A subfamily","CMGC protein kinase GSK family","Metallo protease M49
 family","Tyrosine protein kinase EGFR family","Cytochrome P450 19A1","Cytochrome P450 1A1","Aspartic protease A1A subfamily","Nuclear hormone receptor subfamily 3 group A member 2","Serine protease S
9B subfamily","Nuclear hormone receptor subfamily 3 group A member 1","CMGC protein kinase CDK family","Other protein kinase AUR family","CAMK protein kinase DAPK family","Tyrosine protein kinase PDGF
R family","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Neuropeptide receptor","
Tyrosine protein kinase Src family","Nuclear hormone receptor subfamily 3 group C member 4","Threonine protease T1A subfamily","Nuclear hormone receptor subfamily 1 group C member 3","CMGC protein kin
ase JNK subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Other protein targets","Ion channels","Cytochrome P450","Eicosanoid turnover","ATP-binding cassette transporter family","Catalytic receptors","Kinases (EC 2.7.x.x)","G
 protein-coupled receptors","Catecholamine turnover","1.-.-.- Oxidoreductases","Peptidases and proteinases","Poly ADP-ribose polymerases",Transthyretin,"Chromatin modifying enzymes","Nuclear hormone r
eceptors","Other ion channels","Carbonic anhydrases","Acetylcholine turnover","SLC superfamily of solute carriers","Inositol phosphate turnover","Anti-infective targets","2.7.1.40 Pyruvate kinases","N
ADPH oxidases","CYP2 family: drug metabolising subset",Lipoxygenases,"Prostaglandin synthases","CYP3 family","ABCB subfamily","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","C
MGC: Containing CDK",MAPK,GSK3,"CLK families","Adenosine receptors","Glycoprotein hormone receptors","CYP1 family",Cyclooxygenase,"PA: Serine (S) Peptidases","MA: Metallo (M) Peptidases",CYP11,CYP17,C
YP19,"CYP20 and CYP21 families","Pattern recognition receptors","1.14.11.- Histone demethylases","AA: Aspartic (A) Peptidases","Steroid hormone receptors","Chloride channels","SC: Serine (S) Peptidase
s","1A. Thyroid hormone receptors","SLC65 NPC-type cholesterol transporters","Inositol monophosphatase","1F. Retinoic acid-related orphans","Viral protein targets","Neuropeptide S receptor","PB: Threo
nine (T) Peptidases","ABCG subfamily","ABCC subfamily","1C. Peroxisome proliferator-activated receptors","Other protein kinases","TK: Tyrosine kinase","PIM family","Mitogen-activated protein kinases (
MAP kinases)","S1: Chymotrypsin","Glycogen synthase kinase (GSK) family","M49: Dipeptidyl-peptidase III","NOD-like receptor family","A1: Pepsin","3A. Estrogen receptors",CFTR,"S9: Prolyl oligopeptidas
e","Cyclin-dependent kinase (CDK) family","Death-associated kinase (DAPK) family","Coronavirus (CoV) proteins","3C. 3-Ketosteroid receptors","T1: Proteasome","Casein kinase 2 (CK2) family","Non-recept
or tyrosine kinases (nRTKs)","JNK subfamily","GSK subfamily","Receptor tyrosine kinases (RTKs)","CDK4 subfamily","p38 subfamily","Aurora kinase (Aur) family","ERK subfamily","Syk family","Type I RTKs:
 ErbB (epidermal growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Src family"}

> <pathway_reactome>
{Hemostasis,"Cell Cycle","Immune System",Metabolism,"Cellular responses to external stimuli",Disease,"Gene expression (Transcription)","Signal Transduction","Metabolism of proteins","Metabolism of RNA
","DNA Repair","Neuronal System",Autophagy,"Transport of small molecules","Programmed Cell Death","Developmental Biology","Platelet activation","signaling and aggregation",Mitotic,"Cytokine Signaling 
in Immune system","Innate Immune System","Biological oxidations","Cellular responses to stress","Metabolism of lipids","Abacavir transport and metabolism","Diseases of metabolism","RNA Polymerase II T
ranscription","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of nucleotides","Intracellular signaling by second messengers","Signal
ing by GPCR","Amyloid fiber formation","Metabolism of amino acids and derivatives","Metabolism of non-coding RNA","DNA Double-Strand Break Repair","Transmission across Chemical Synapses",Macroautophag
y,"Peptide hormone metabolism","O2/CO2 exchange in erythrocytes",Apoptosis,"Nervous system development","Base Excision Repair","Inositol phosphate metabolism","Signaling by Receptor Tyrosine Kinases",
"Post-translational protein modification","Plasma lipoprotein assembly",remodeling,"and clearance","Reversible hydration of carbon dioxide","Metabolism of carbohydrates","Metabolism of vitamins and co
factors","Platelet Aggregation (Plug Formation)","M Phase","Signaling by Interleukins","Neutrophil degranulation","Phase I - Functionalization of compounds","Cellular response to hypoxia","Biosynthesi
s of specialized proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Abacavir transmembrane transport","Diseases of carbohydrate metabolism","Generic Transcription Pathway","Leishma
nia infection","FLT3 signaling in disease","Toll-like Receptor Cascades","ROS and RNS production in phagocytes","Nucleobase catabolism","Complement cascade","SARS-CoV Infections","Interferon Signaling
","PIP3 activates AKT signaling","GPCR downstream signalling","Influenza Infection","Branched-chain amino acid catabolism","snRNP Assembly","Nonhomologous End-Joining (NHEJ)","Neurotransmitter recepto
rs and postsynaptic signal transmission","Selective autophagy","Incretin synthesis",secretion,"and inactivation","Metabolism of steroids","GPCR ligand binding","Fatty acid metabolism","Erythrocytes ta
ke up carbon dioxide and release oxygen","Diseases of glycosylation","Caspase activation via extrinsic apoptotic signalling pathway","EGR2 and SOX10-mediated initiation of Schwann cell myelination","R
esolution of Abasic Sites (AP sites)","Synthesis of IPs in the nucleus","Phospholipid metabolism","Signaling by Insulin receptor",SUMOylation,"Plasma lipoprotein clearance","Synthesis of IP2",IP,"and 
Ins in the cytosol","Glucose metabolism","HIV Infection","Metabolism of fat-soluble vitamins","Regulation of mitotic cell cycle","Mitotic Metaphase and Anaphase","Interleukin-1 family signaling","Cyto
chrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","G1/S Transit
ion",Mucopolysaccharidoses,"Transcriptional Regulation by TP53","Leishmania parasite growth and survival","Signaling by FLT3 ITD and TKD mutants","Toll Like Receptor 5 (TLR5) Cascade","Events associat
ed with phagocytolytic activity of PMN cells","Amine Oxidase reactions","Purine catabolism","Regulation of Complement cascade","SARS-CoV-1 Infection","Interferon alpha/beta signaling","PTEN Regulation
","G alpha (q) signalling events","G alpha (i) signalling events","Cell recruitment (pro-inflammatory response)","Ethanol oxidation","Negative regulation of the PI3K/AKT network","Virus Assembly and R
elease","Activation of NMDA receptors and postsynaptic events","Influenza Viral RNA Transcription and Replication",Aggrephagy,Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","G1 Phase"
,"Metabolism of steroid hormones","Class A/1 (Rhodopsin-like receptors)","Fatty acyl-CoA biosynthesis","Diseases associated with O-glycosylation of proteins","Caspase activation via Dependence Recepto
rs in the absence of ligand","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycerophospholipid biosynthesis","Insulin receptor signalling cascade","SUMO E3 ligases SU
MOylate target proteins","LDL clearance","Transcriptional regulation by RUNX1","Interleukin-12 family signaling","Transcriptional regulation by RUNX3","SARS-CoV-2 Infection",Glycolysis,"Host Interacti
ons of HIV factors","Transcriptional regulation by RUNX2","Retinoid metabolism and transport","APC/C-mediated degradation of cell cycle proteins","Arachidonic acid metabolism","Transcriptional Regulat
ion by MECP2","Mitotic Anaphase","Interleukin-1 signaling",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Activation of the pre-replicative 
complex","MPS VII - Sly syndrome","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","STAT5 activation downstream of FLT3 ITD mutants","MyD88 cascade in
itiated on plasma membrane","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Endogenous sterols","SARS-CoV-1 Genome Replication and Transcription","Regulation of PTEN stabil
ity and activity","Gastrin-CREB signalling pathway via PKC and MAPK","Visual phototransduction","Purinergic signaling in leishmaniasis infection",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Asse
mbly of Viral Components at the Budding Site","Post NMDA receptor activation events","vRNA Synthesis","Cyclin D associated events in G1","Pregnenolone biosynthesis","Nucleotide-like (purinergic) recep
tors","Synthesis of very long-chain fatty acyl-CoAs","Defective C1GALT1C1 causes Tn polyagglutination syndrome (TNPS)","PCNA-Dependent Long Patch Base Excision Repair","Synthesis of PC","IRS-mediated 
signalling","SUMOylation of intracellular receptors","RUNX1 regulates estrogen receptor mediated transcription","Interleukin-12 signaling","RUNX3 Regulates Immune Response and Cell Migration","SARS-Co
V-2 Genome Replication and Transcription","The role of Nef in HIV-1 replication and disease pathogenesis","RUNX2 regulates bone development","Activation of APC/C and APC/C:Cdc20 mediated degradation o
f mitotic proteins","Synthesis of Leukotrienes (LT) and Eoxins (EX)","MECP2 regulates transcription factors","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","CYP2E1 rea
ctions","Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of maresin-like SPMs","Regulation of TP53 Activity through Phosphorylation","FCGR3A-mediated IL10 synthesis","MAP kinase
 activation","ADORA2B mediated anti-inflammatory cytokines production","Replication of the SARS-CoV-1 genome","EGFR Transactivation by Gastrin","The canonical retinoid cycle in rods (twilight vision)"
,"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","Activation of AMPK dow
nstream of NMDARs","Adenosine P1 receptors","Separation of Sister Chromatids","PI3K Cascade","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Gene and protein expression by JAK
-STAT signaling after Interleukin-12 stimulation","Replication of the SARS-CoV-2 genome","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","RUNX2 regulat
es osteoblast differentiation","APC/C:Cdc20 mediated degradation of mitotic proteins","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Medi
ated CD4 Down-regulation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Activation of the AP-1 family of transcription factors","ERK/MAPK t
argets","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
{AKR1B1,AR,CDK6,CFTR,CYP19A1,CYP1B1,HSD17B1}

> <broad_moa>
{"casein kinase inhibitor","cell proliferation inhibitor"}

> <synonyms>
{520-36-5,520365,"5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one","5,7Dihydroxy2(4hydroxyphenyl)4Hchromen4one",Chamomile,Versulin,"4',5,7-Trihydroxyflavone","4',5,7Trihydroxyflavone",Apigenol,Spig
enin,Apigenine,"C.I. Natural Yellow 1","Pelargidenon 1449","5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone","5,7Dihydroxy2(4hydroxyphenyl)4benzopyrone",5,7,4',T2175,EI-345,200846,Apigenin,APIGENIN}

> <pdid>
PD002200

> <targets>
{CK-II}

> <classes>
{antispasmodic,antineoplastic,"topoisomerase I inhibitor"}

> <pubchem_cids>
{5280443}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    5.2315    1.1941    0.0000 C   0  0
    3.7691    0.8603    0.0000 N   0  0
    3.1796   -0.5190    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0  2  0  0  0
    1.3514    1.0778    0.0000 C   0  0  1  0  0  0
    2.6395    1.8472    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -1.0157    5.5663    0.0000 Cl  0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    9.0322    2.5802    0.0000 O   0  0
    9.0322    1.0802    0.0000 C   0  0
    7.7330    0.3306    0.0000 O   0  0
   10.3322    0.3302    0.0000 C   0  0
   11.6322    1.0802    0.0000 C   0  0
   11.6336    2.5810    0.0000 C   0  0
   10.3351    3.3318    0.0000 O   0  0
   12.9329    3.3306    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  6
  6  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 13  7  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  4  1  0
 20 15  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12094

> <plate>
PLATE 015

> <well>
C4

> <supplier_cmpd_name>
Asenapine Maleate

> <ctcr_id>
4523

> <supplier_cmpd_id>
T1951

> <smiles>
CN1C[C@@H]2[C@@H](C1)c3cc(Cl)ccc3Oc4ccccc24.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"(R,R)-asenapine maleate","(R,R)asenapine maleate","(R,R) asenapine maleate",CHEBI:71246,MLS004774144,SCHEMBL524851,HMS3712H11,AKOS026750280,CCG-220195,CCG220195,"CCG 220195",BS-17651,BS17651,"BS 176
51",SMR003500788,SR-01000939499,SR01000939499,SR01,Prestw-1231,"Asenapine maleate"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6440510}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 O   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19  7  1  0
 19 20  2  0
 20  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12095

> <plate>
PLATE 015

> <well>
C5

> <supplier_cmpd_name>
Aloe-emodin

> <ctcr_id>
2402

> <supplier_cmpd_id>
T2843

> <smiles>
OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

> <pd_targets>
{EPHX2,ALPI,ACHE,ALDH1A7,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Protease,Hydrolase,Oxidoreductase,Phosphatase,Reader,"Serine protease",Bromodomain,"Serine protease SC clan","Serine protease S33 family"}

> <pathway_chembl>
{Enzymes,Hydrolases,"Acetylcholine turnover"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Phospholipid metabolism","Biosynthesis of DHA-derived SPMs","Glycerophospholipid biosynthesis","Biosynth
esis of maresins","Synthesis of PC","Synthesis of PA"}

> <broad_targets>
{CASP8}

> <broad_moa>
{"anticancer agent"}

> <synonyms>
{LOEEMODI,Aloe-emodin,Aloeemodin,"Aloe emodin",481-72-1,481721,Aloe-emodine,Aloeemodine,Rhabarberone,"1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione","1,8dihydroxy3(hydroxymethyl)anthracene9,10d
ione",3-Hydroxymethylchrysazine,3Hydroxymethylchrysazine,EMODINE,3-Hydroxymethylchrysazin,3Hydroxymethylchrysazin,"1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone","1,8Dihydroxy3(hydroxymethyl)anthraquin
one",1,8-Dihyd,8Dihyd,T2843,S2259}

> <pdid>
PD010804

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{10207}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    3.8755   -9.7579    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    5.1825   -7.5125    0.0000 C   0  0
    5.1878   -6.0125    0.0000 C   0  0
    3.8914   -5.2578    0.0000 C   0  0
    3.8937   -3.7570    0.0000 N   0  0
    2.5955   -3.0038    0.0000 C   0  0
    1.2951   -3.7514    0.0000 O   0  0
    2.5978   -1.5030    0.0000 C   0  0
    3.2345   -0.2716    0.0000 C   0  0
    3.9823   -1.5719    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -4.3369    1.3101    0.0000 F   0  0
   -4.3371   -1.3100    0.0000 F   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5897   -6.0033    0.0000 N   0  0
    2.5844   -7.5033    0.0000 C   0  0
    1.2821   -8.2491    0.0000 C   0  0
   -0.0156   -7.4966    0.0000 C   0  0
   -1.3161   -8.2441    0.0000 C   0  0
   -1.3190   -9.7441    0.0000 C   0  0
   -0.0214  -10.4966    0.0000 C   0  0
    1.2790   -9.7491    0.0000 C   0  0
   -0.0213  -11.9974    0.0000 C   0  0
   -1.3205  -12.7472    0.0000 O   0  0
    1.2774  -12.7481    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11  9  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 15  1  0
 21 22  2  0
 22 12  1  0
  5 23  1  0
 23 24  2  0
 24  2  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12096

> <plate>
PLATE 015

> <well>
C6

> <supplier_cmpd_name>
Lumacaftor

> <ctcr_id>
6701

> <supplier_cmpd_id>
T2595

> <smiles>
Cc1ccc(NC(=O)C2(CC2)c3ccc4OC(F)(F)Oc4c3)nc1c5cccc(c5)C(O)=O

> <pd_targets>
{CFTR}

> <pathway_gtopdb>
{"Ion channel","Other ion channel","Chloride channel","Cystic fibrosis transmembrane conductance regulator"}

> <pathway_chembl>
{"Ion channels","Other ion channels","Chloride channels",CFTR}

> <pathway_reactome>
{Autophagy,Macroautophagy,"Selective autophagy",Aggrephagy}

> <broad_targets>
{CFTR}

> <broad_moa>
{"CFTR channel agonist"}

> <synonyms>
{Lumacaftor,936727-05-8,936727058,VX-809,VX809,"VX 809",VRT-826809,VRT826809,"VRT 826809",UNII-EGP8L81APK,UNIIEGP8L81APK,"VX-809 (Lumacaftor)","VX809 (Lumacaftor)",EGP8L81APK,"Lumacaftor (USAN:INN)","
Lumacaftor (USAN)",PubChem22450,Lumacaftor(vx-809vx809),Lumacaftor(vx809vx809),MLS006011120,SCHEMBL377028,GTPL7481,CHEMBL2103870,T2595,S1565}

> <pdid>
PD008912

> <targets>
{CFTR,Others}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{16678941}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 30  0  0  0  0            999 V2000
   11.4915   -1.5066    0.0000 Cl  0  0
    8.9915   -1.5066    0.0000 Cl  0  0
   -1.3067   -3.7399    0.0000 C   0  0
   -0.0048   -2.9949    0.0000 C   0  0
    1.2925   -3.7494    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
  6 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12097

> <plate>
PLATE 015

> <well>
C7

> <supplier_cmpd_name>
Eprazinone dihydrochloride

> <ctcr_id>
6375

> <supplier_cmpd_id>
T3034

> <smiles>
Cl.Cl.CCOC(CN1CCN(CC1)CC(C)C(=O)c2ccccc2)c3ccccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"mucolytic agent"}

> <synonyms>
{10402-53-6,10402536,"EPRAZINONE DIHYDROCHLORIDE","eprazinone hydrochloride",Eftapan,Resplen,"Eprazinone HCl",UNII-394X1L8I9Y,UNII394X1L8I9Y,Mucitux,"Eprazinone (dihydrochloride)","Eprazinone hydrochl
oride (JAN)",CHEBI:31551,394X1L8I9Y,1-(2-Benzoylpropyl)-2-(2-,1(2Benzoylpropyl)2(2,T3034,S4137,"Eprazinone dihydrochloride","Eprazinone 2HCl"}

> <pdid>
PD014150

> <targets>
{Others,Free Base,Neurokinin Receptor}

> <classes>
{Others,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{73356,91981449}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    5.0987    2.2518    0.0000 Br  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 S   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -2.5848    6.0040    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -3.8915    3.7585    0.0000 C   0  0
   -5.1938    3.0126    0.0000 N   0  0
   -5.2015    1.5126    0.0000 C   0  0
   -6.5043    0.7691    0.0000 C   0  0
   -7.7996    1.5257    0.0000 N   0  0
   -7.7920    3.0257    0.0000 C   0  0
   -6.4892    3.7691    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
  6 20  1  0
 20 21  1  0
 20 22  2  0
 22  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12098

> <plate>
PLATE 015

> <well>
C8

> <supplier_cmpd_name>
Vortioxetine

> <ctcr_id>
883

> <supplier_cmpd_id>
T2395

> <smiles>
Br.Cc1ccc(Sc2ccccc2N3CCNCC3)c(C)c1

> <pd_targets>
{HTR6,ADRB1,SLC6A4,HTR1D,HTR1B,HTR1A,HTR7,HTR2A,HTR3A,ADRB2,HTR5A,HTR2C,SLC6A3,HRH1,CYP2C9,CYP3A4,CYP2D6,HRH2,SLC6A2}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Ion channel",Enzyme,"Family A G protein-coupled receptor","Electrochemical transporter","Ligand-gated ion channel","Cytochrome P450","Small molecule receptor (family 
A GPCR)","SLC superfamily of solute carriers","5HT3 receptor","Cytochrome P450 family 2","Cytochrome P450 family 3","Monoamine receptor","SLC06 neurotransmitter transporter family","Cytochrome P450 fa
mily 2C","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Serotonin receptor","Adrenergic receptor","Histamine receptor","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Ligand-gated ion channels","Cytochrome P450","5-Hydroxytryptamine receptors",Adrenoce
ptors,"SLC6 neurotransmitter transporter family","5-HT<sub>3</sub> receptors","Histamine receptors","CYP2 family: drug metabolising subset","CYP3 family","Monoamine transporter subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Signal Transduction",Metabolism,"Infectious disease","Transmission across Chemical Synapses","Signaling by GPCR","Disorders of transmembrane transporters","Biological oxida
tions","Metabolism of lipids","Leishmania infection","Neurotransmitter clearance","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","SLC transporter disorders","P
hase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania parasite growth and survival","Serotonin clearance from the synaptic cleft","Class A/1 
(Rhodopsin-like receptors)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Defective SLC6A2 causes
 orthostatic intolerance (OI)","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors",Xenobiotics,"Biosynthesis of maresins","ADORA2B mediated anti-infla
mmatory cytokines production","Serotonin receptors","Histamine receptors","CYP2E1 reactions","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{HTR1A,HTR1B,HTR2A,HTR2C,HTR3A,HTR5A,HTR6,HTR7,SLC6A4}

> <broad_moa>
{"serotonin receptor agonist","serotonin receptor antagonist"}

> <synonyms>
{"Vortioxetine hydrobromide",960203-27-4,960203274,"Vortioxetine HBr","Vortioxetine (Lu AA21004) HBr","Vortioxetine (hydrobromide)",UNII-TKS641KOAY,UNIITKS641KOAY,Brintellix,Trintellix,TKS641KOAY,"Lu 
AA21004 (HBr)","960203-27-4 (HBr)","960203274 (HBr)",CHEBI:76015,B,T2395L,T2395,S8021,Vortioxetine}

> <pdid>
PD012584

> <targets>
{5-HT Receptor,Serotonin Transporter}

> <classes>
{Neuronal Signaling,GPCR/G Protein}

> <pubchem_cids>
{56843850}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1047    0.0031    0.0000 S   0  0
    5.8532    1.3040    0.0000 C   0  0
    7.3541    1.3071    0.0000 C   0  0
    8.1041    2.6062    0.0000 C   0  0
    9.6041    2.6062    0.0000 C   0  0
   10.3541    1.3072    0.0000 C   0  0
    9.6042    0.0082    0.0000 C   0  0
    8.1042    0.0081    0.0000 N   0  0
   10.3571    3.9045    0.0000 O   0  0
   11.8579    3.9024    0.0000 C   0  0
   12.6110    5.2006    0.0000 C   0  0
   14.1118    5.1986    0.0000 C   0  0
   14.8648    6.4968    0.0000 O   0  0
   16.3648    6.4948    0.0000 C   0  0
    7.3541    3.9052    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  3  1  0
  1 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 13 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12099

> <plate>
PLATE 015

> <well>
C9

> <supplier_cmpd_name>
Rabeprazole Related Compound E

> <ctcr_id>
11105

> <supplier_cmpd_id>
T1734

> <smiles>
c1(nc2c([nH]1)cccc2)SCc1c(c(ccn1)OCCCOC)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{117977-21-6,117977216,"Rabeprazole thioether","Rabeprazole Sulfide","Rabeprazole Related CoMpound E",UNII-304S7E320P,UNII304S7E320P,2-(((4-(3-Methoxypropoxy)-3-methyl-2-pyridyl)methyl)thio)benzimidaz
ole,2(((4(3Methoxypropoxy)3methyl2pyridyl)methyl)thio)benzimidazole,2-((4-(3-Methoxypropoxy)-3-methylpyridine-2-y,2((4(3Methoxypropoxy)3methylpyridine2y,T1734,"Rabeprazole Related Compound E"}

> <pdid>
PD055906

> <targets>
{Proton pump,Bacterial,Proton Pump}

> <classes>
{Membrane transporter/Ion channel,Anti-infection,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{9949996}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 28  0  0  0  0            999 V2000
    5.1884   -7.5113    0.0000 C   0  0
    5.1901   -6.0113    0.0000 N   0  0
    6.4902   -5.2631    0.0000 C   0  0
    3.8917   -5.2586    0.0000 C   0  0
    3.8934   -3.7577    0.0000 C   0  0
    2.5949   -3.0050    0.0000 O   0  0
    2.5966   -1.5042    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    5.1956   -1.5125    0.0000 N   0  0
   10.3023   -1.1309    0.0000 O   0  0
   10.3023   -2.6309    0.0000 C   0  0
    9.0030   -3.3804    0.0000 O   0  0
   11.6023   -3.3809    0.0000 C   0  0
   12.9023   -2.6309    0.0000 C   0  0
   12.9037   -1.1300    0.0000 C   0  0
   11.6051   -0.3792    0.0000 O   0  0
   14.2030   -0.3804    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  7 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12100

> <plate>
PLATE 015

> <well>
C10

> <supplier_cmpd_name>
Carbinoxamine Maleate Salt

> <ctcr_id>
1839

> <supplier_cmpd_id>
T2222

> <smiles>
CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{3505-38-2,3505382,"3505 38 2","Carbinoxamine maleate salt",Lergefin,Ciberon,Clistin,Cliston,"p-Carbinoxamine maleate","pCarbinoxamine maleate","p Carbinoxamine maleate","Allergefon maleate","Paracarb
inoxamine maleate","Carbinoxamine hydrogen maleate",C20H23ClN2O5,CHEBI:31353,2,T2222,SAM002589920,1500161,Prestw-801,"Carbinoxamine Maleate Salt",CPD001496929,"CARBINOXAMINE MALEATE"}

> <pdid>

> <targets>
{}

> <classes>
{antihistaminic}

> <pubchem_cids>
{5282409}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  1  0            999 V2000
   -0.3526    8.5353    0.0000 C   0  0
    1.1153    8.8440    0.0000 C   0  0
    1.5814   10.2697    0.0000 C   0  0
    2.1178    7.7271    0.0000 O   0  0
    3.5865    8.0359    0.0000 C   0  0
    4.0527    9.4616    0.0000 O   0  0
    4.5890    6.9190    0.0000 C   0  0  2  0  0  0
    4.1228    5.4933    0.0000 C   0  0
    6.0577    7.2279    0.0000 N   0  0
    7.0602    6.1110    0.0000 P   0  0  2  0  0  0
    7.5257    7.5370    0.0000 O   0  0
    6.5937    4.6845    0.0000 C   0  0
    5.1253    4.3743    0.0000 O   0  0
    4.6588    2.9478    0.0000 C   0  0  2  0  0  0
    5.6608    1.8315    0.0000 C   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    8.5286    6.4213    0.0000 O   0  0
    8.9950    7.8478    0.0000 C   0  0
   10.4622    8.1600    0.0000 C   0  0
   10.9255    9.5866    0.0000 C   0  0
    9.9216   10.7012    0.0000 C   0  0
    8.4544   10.3891    0.0000 C   0  0
    7.9912    8.9624    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  1
  7  9  1  0
 10  9  1  1
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 17  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 10 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12101

> <plate>
PLATE 015

> <well>
C11

> <supplier_cmpd_name>
Tenofovir alafenamide

> <ctcr_id>
11106

> <supplier_cmpd_id>
T2409

> <smiles>
CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c1ncnc2N)Oc1ccccc1

> <pd_targets>
{POL,RT}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{"TENOFOVIR ALAFENAMIDE",379270-37-8,379270378,GS-7340,GS7340,UNII-J4414G3BUK,UNIIJ4414G3BUK,J4414G3BUK,"Tenofovir alafenamide (free base)","379270-37-8 (free base)","379270378 (free base)","GS 7340",
383365-04-6,383365046,"Tenofovir Alafenamide (GS-7340)","Tenofovir Alafenamide (GS7340)",SCHEMBL3107149,CHEMBL2107825,C21H29N6O5P,C,T2409,"Tenofovir alafenamide"}

> <pdid>
PD009264

> <targets>
{Reverse Transcriptase,HIV}

> <classes>
{Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{9574768}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 19  0  0  0  0            999 V2000
    8.3882   -4.3644    0.0000 H   0  3
    5.8882   -4.3644    0.0000 Cl  0  5
    2.4293  -10.0042    0.0000 C   0  0
    1.5502   -8.7888    0.0000 C   0  0
    2.1626   -7.4186    0.0000 C   0  0
    1.2830   -6.2026    0.0000 N   0  0
    1.8954   -4.8324    0.0000 C   0  0
    3.3874   -4.6783    0.0000 C   0  0
    1.0157   -3.6164    0.0000 C   0  0
   -0.4763   -3.7706    0.0000 O   0  0
    1.6281   -2.2462    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    2.6401    0.8578    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 S   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  0
   -3.1255   -2.0835    0.0000 O   0  0
   -4.0097   -3.2952    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 17 12  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12102

> <plate>
PLATE 015

> <well>
D2

> <supplier_cmpd_name>
Articaine HCl

> <ctcr_id>
1648

> <supplier_cmpd_id>
T2131

> <smiles>
[H+].[Cl-].CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC

> <pd_targets>
{SCN1A,SCN2A,SCN3A,AMPC,SCN10A,SCN11A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,CYP1A2,CYP3A4}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Voltage-gated ion channel",Hydrolase,"Cytochrome P450","Voltage-gated sodium channel","Cytochrome P450 family 1","Cytochrome P450 family 3","Cytochrome P450 family 1A","Cytochro
me P450 family 3A","Cytochrome P450 1A1","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP1 family","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Metabolism of lipids","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Cytochrome P450 - arranged by substra
te type","Biosynthesis of DHA-derived SPMs",Xenobiotics,"Biosynthesis of maresins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{}

> <broad_moa>
{"local anesthetic"}

> <synonyms>
{AKOS015896265,"ARTICAINE HYDROCHLORIDE",23964-57-0,23964570,"Articaine HCl",Ultracaine,"Carticaine hydrochloride","Articaine (hydrochloride)","HOE 045",Ultracain,Hoe-045,Hoe045,"HOE 40045","Hoe-045 (
free base)","Hoe045 (free base)",MFCD00190157,Septanest,DSSTox_CID_,DSSToxCID,DSSTox-CID-,"DSSTox CID",T2131,Prestw-1032,"Articaine hydrochloride"}

> <pdid>
PD009409

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{46856326,32169}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 57 60  0  0  1  0            999 V2000
   -8.8413   -2.4983    0.0000 C   0  0
   -9.6765   -1.2523    0.0000 O   0  0
   -9.0155    0.0951    0.0000 C   0  0  2  0  0  0
   -7.5187    0.1933    0.0000 C   0  0
   -6.8553    1.5387    0.0000 C   0  0  1  0  0  0
   -7.6888    2.7858    0.0000 C   0  0
   -9.1855    2.6876    0.0000 C   0  0
   -9.8489    1.3423    0.0000 C   0  0  1  0  0  0
  -11.3457    1.2441    0.0000 O   0  0
   -5.3575    1.6339    0.0000 C   0  0
   -4.5253    0.3848    0.0000 C   0  0
   -5.1910   -0.9594    0.0000 C   0  0
   -3.0300    0.4800    0.0000 C   0  0  1  0  0  0
   -2.2500    1.7900    0.0000 O   0  0
   -0.7700    1.7900    0.0000 C   0  0
    0.1282    0.5886    0.0000 O   0  0
   -0.3600    3.1800    0.0000 C   0  0  2  0  0  0
   -1.4000    4.1800    0.0000 C   0  0
   -1.0400    5.5700    0.0000 C   0  0
    0.3400    5.9800    0.0000 C   0  0
    1.3600    4.9600    0.0000 C   0  0
    0.9900    3.5700    0.0000 N   0  0
    2.0600    2.5800    0.0000 C   0  0
    1.8859    1.0901    0.0000 O   0  0
    3.3000    3.2800    0.0000 C   0  0
    3.3684    4.7784    0.0000 O   0  0
    4.5000    2.4500    0.0000 C   0  0  2  0  0  0
    4.6374    3.9437    0.0000 O   0  0
    4.3400    0.9300    0.0000 O   0  0
    5.6200    0.1000    0.0000 C   0  0  2  0  0  0
    5.5000   -1.4500    0.0000 C   0  0  2  0  0  0
    4.3000   -2.4200    0.0000 C   0  0
    4.5700   -3.9100    0.0000 C   0  0  1  0  0  0
    5.9693   -4.4504    0.0000 C   0  0
    3.4100   -4.8000    0.0000 C   0  0
    3.4100   -6.5900    0.0000 C   0  0
    1.2900   -6.0600    0.0000 C   0  0
   -0.4500   -6.6300    0.0000 C   0  0  1  0  0  0
   -0.7848   -8.0861    0.0000 C   0  0
    0.3142   -9.1081    0.0000 C   0  0
   -0.0202  -10.5704    0.0000 C   0  0
   -1.8700   -5.0300    0.0000 C   0  0
   -3.3364   -5.3457    0.0000 O   0  0
   -1.2100   -2.9100    0.0000 C   0  0
   -2.5600   -2.1500    0.0000 C   0  0  2  0  0  0
   -3.9640   -2.6781    0.0000 O   0  0
   -2.0600   -0.7300    0.0000 C   0  0  1  0  0  0
   -0.5813   -0.4783    0.0000 C   0  0
    4.3331   -7.7723    0.0000 C   0  0
    6.8303   -2.1506    0.0000 O   0  0
    7.6766   -1.6179    0.0000 C   0  0
    6.9800    0.7100    0.0000 C   0  0  2  0  0  0
    7.0800    2.2400    0.0000 C   0  0
    5.8600    3.0600    0.0000 C   0  0  1  0  0  0
    5.9875    4.5546    0.0000 C   0  0
    8.2040   -0.1575    0.0000 O   0  0
    8.1116   -1.1532    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  6
  5 10  1  1
 10 11  2  0
 11 12  1  0
 13 11  1  1
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  6
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  6
 27 29  1  0
 30 29  1  1
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  1
 33 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  1
 39 40  1  0
 40 41  2  0
 38 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 45 46  1  6
 45 47  1  0
 47 13  1  0
 47 48  1  6
 36 49  1  0
 31 50  1  1
 50 51  1  0
 30 52  1  0
 52 53  1  0
 53 54  1  0
 54 27  1  0
 54 55  1  6
 52 56  1  6
 56 57  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12103

> <plate>
PLATE 015

> <well>
D3

> <supplier_cmpd_name>
Tacrolimus

> <ctcr_id>
269

> <supplier_cmpd_id>
T2144

> <smiles>
CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)/C)OC)[C@H](C[C@H]4C)OC

> <pd_targets>
{MTOR,RORC,CYP3A4,CYP3A43,CYP3A5,CYP3A7,FKBP1A,PPP3CA,FKBP5,FKBP1B,NR1I2,FTL,SF3B3,SLCO1B1,ABCC2,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Other nuclear protein",Transporter,Kinase,"Nuclear receptor","Cytochrome P450",Isomerase,Phosphatase,"Electrochemical transporter","Primary activ
e transporter","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Protein Phosphatase","SLC superfamily of solute carriers","ATP-binding cassette","Atypical protein ki
nase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Serine/threonine protein phosphatase","Nuclear hormone receptor subfamily 1 group I","SLC21/SLCO family of organ
ic anion transporting polypeptides","ABCC subfamily","ABCB subfamily","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cytochrome P4
50 3A5","Nuclear hormone receptor subfamily 1 group I member 2","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Cytochrome P450","Peptidyl-prolyl cis/trans isomerases","SLC superfamily of solute carriers","ATP-binding cassette t
ransporter family",Atypical,"1F. Retinoic acid-related orphans","CYP3 family","1I. Vitamin D receptor-like receptors","SLCO family of organic anion transporting polypeptides","ABCC subfamily","ABCB su
bfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Signal Transduction","Muscle contraction","Metabolism of proteins","Vesicle-mediated transport","Metabolism of RNA","RNA Polymerase II Transcript
ion","Biological oxidations","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GPCR","Cardiac conduction","Post-translational protein modification","Memb
rane Trafficking","Metabolism of lipids","Processing of Capped Intron-Containing Pre-mRNA","Disorders of transmembrane transporters","Generic Transcription Pathway","Phase I - Functionalization of com
pounds","Signaling by TGF-beta Receptor Complex in Cancer","GPCR downstream signalling","Ion homeostasis",SUMOylation,"trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving me
diators (SPMs)","mRNA Splicing","Metabolism of steroids","ABC transporter disorders","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate
 type","Loss of Function of TGFBR1 in Cancer","G alpha (i) signalling events","Transcriptional Regulation by MECP2","SUMO E3 ligases SUMOylate target proteins","Golgi Associated Vesicle Biogenesis","B
iosynthesis of DHA-derived SPMs","mRNA Splicing - Major Pathway","Bile acid and bile salt metabolism","Defective ABCC2 causes DJS","Regulation of TP53 Activity","RUNX3 Regulates Immune Response and Ce
ll Migration",Xenobiotics,"TGFBR1 LBD Mutants in Cancer","Opioid Signalling","MECP2 regulates neuronal receptors and channels","SUMOylation of intracellular receptors","Biosynthesis of maresins","Recy
cling of bile acids and salts","Synthesis of bile acids and bile salts","Regulation of TP53 Expression and Degradation","DARPP-32 events","Biosynthesis of maresin-like SPMs","Synthesis of bile acids a
nd bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Degradation"}

> <broad_targets>
{FKBP1A}

> <broad_moa>
{"calcineurin inhibitor"}

> <synonyms>
{tacrolimus,Fujimycin,Prograf,104987-11-3,104987113,Protopic,FK506,"Tacrolimus anhydrous",Advagraf,Modigraf,Protopy,Fk-506,Fk506,"Anhydrous Tacrolimus","tacrolimus (fk506)","FK 506",FR-900506,FR900506
,8-DEETHYL-8-(BUT-3-ENYL)-ASCOMYCIN,8DEETHYL8(BUT3ENYL)ASCOMYCIN,UNII-Y5L2157C4J,UNIIY5L2157C4J,"Astagraf XL",FR,T2144,S5003,1503968,Tacrolimus,TACROLIMUS}

> <pdid>
PD002855

> <targets>
{}

> <classes>
{"immune suppressant",antifungal}

> <pubchem_cids>
{445643}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -2.5497    4.4223    0.0000 S   0  0
   -1.7974    5.7210    0.0000 C   0  0
   -2.5451    7.0223    0.0000 C   0  0
   -4.0452    7.0225    0.0000 N   0  0
   -4.7951    8.3215    0.0000 C   0  0
   -4.0451    9.6205    0.0000 C   0  0
   -4.7950   10.9196    0.0000 C   0  0
   -2.5451    9.6205    0.0000 C   0  0
   -1.7919   10.9187    0.0000 O   0  0
   -0.2919   10.9165    0.0000 C   0  0
   -1.7951    8.3214    0.0000 C   0  0
   -0.2951    8.3214    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11  5  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 14  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12104

> <plate>
PLATE 015

> <well>
D4

> <supplier_cmpd_name>
Omeprazole sulfide

> <ctcr_id>
11107

> <supplier_cmpd_id>
T2687

> <smiles>
COc1cc2c(cc1)nc([nH]2)SCc1ncc(C)c(OC)c1C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{UFIPRAZOLE,73590-85-9,73590859,"Omeprazole sulfide","Omeprazole metabolite Omeprazole sulfide","omeprazole sulphide",UNII-6FFV1V867C,UNII6FFV1V867C,"Omeprazole Impurity C","5-methoxy-2-(((4-methoxy-3
,5-dimethyl-2-pyridyl)methyl)thio)benzimidazole","5methoxy2(((4methoxy3,5dimethyl2pyridyl)methyl)thio)benzimidazole",CHEMBL892,T2687}

> <pdid>

> <targets>
{Proton pump,Drug Metabolite}

> <classes>
{Membrane transporter/Ion channel,Metabolic Enzyme/Protease}

> <pubchem_cids>
{155794}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 S   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 S   0  0
   -6.4441    1.8282    0.0000 C   0  0
   -7.0491    0.4547    0.0000 C   0  0
   -7.6537   -0.9180    0.0000 N   0  0
   -7.3315    3.0386    0.0000 N   0  0
   -8.8186    3.0176    0.0000 C   0  0
   -9.2853    4.4431    0.0000 C   0  0
   -8.0738    5.3275    0.0000 N   0  0
   -6.8583    4.4486    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
  9 11  2  0
 11 12  1  0
 12 13  3  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 14  1  0
  5 19  1  0
 19 20  1  0
 19 21  2  0
 21  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12105

> <plate>
PLATE 015

> <well>
D5

> <supplier_cmpd_name>
Luliconazole

> <ctcr_id>
7305

> <supplier_cmpd_id>
T2411

> <smiles>
Clc1ccc([C@@H]2CSC(/S2)=C(/C#N)n3ccnc3)c(Cl)c1

> <pd_targets>
{ERG11}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450","Cytochrome P450 family 51","Cytochrome P450 family 51A","Cytochrome P450 51A1"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{Luliconazole,187164-19-8,187164198,Lulicon,NND-502,NND502,Luzu,PR-2699,PR2699,UNII-RE91AN4S8G,UNIIRE91AN4S8G,"NND 502",RE91AN4S8G,NCGC00182704-01,NCGC0018270401,NCGC00182704-02,NCGC0018270402,CHEBI:3
4825,NCGC00182704-03,NCGC0018270403,DSSTox_CID_28533,DSSToxCID28533,DSSTox-CID-28533,"DSSTox CID 28533",DSSTox_RID_82805,DSSToxRID82805,DSSTox-RID-82805,"DSSTox RID 82805",DSSTox_GSID_48607,DSSToxGSID
48607,DSSTox-GSID-48607,"DSSTox GSID 48607",CAS-187164-19-8,CAS187164198,"Luliconazole (U",S4258}

> <pdid>
PD010680

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{3003141}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 15  0  0  0  0            999 V2000
    7.6894   -2.2553    0.0000 Cl  0  0
    2.5909   -6.0056    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  9  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12106

> <plate>
PLATE 015

> <well>
D6

> <supplier_cmpd_name>
Guanfacine hydrochloride

> <ctcr_id>
1356

> <supplier_cmpd_id>
T2150

> <smiles>
Cl.NC(=N)NC(=O)Cc1c(Cl)cccc1Cl

> <pd_targets>
{NISCH,ADRA2B,ADRA2A,LEF,CHRM1,HSD17B10,CYP3A4,ADRA1A,ADRA2C,CYP2C9,CYP2C19,HIF1A,KMT2A,MEN1,LMNA,CYP2D6,FFP,AMPC,BLM,RORC,PMP22,MAPT,GMNN,HTR2A,HTR2B,HTR2C}

> <pathway_gtopdb>
{"Other cytosolic protein","Membrane receptor",Enzyme,"Transcription factor","Epigenetic regulator","Other nuclear protein","Unclassified protein","Family A G protein-coupled receptor",Protease,Oxidor
eductase,"Cytochrome P450",Reader,Transferase,Hydrolase,"Nuclear receptor","Small molecule receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 3","Cytochrome P450 family 2",Bromodomai
n,"Nuclear hormone receptor subfamily 1","Monoamine receptor","Metallo protease MAE clan","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Nuclear hormone receptor 
subfamily 1 group F","Adrenergic receptor","Metallo protease M34 family","Acetylcholine receptor","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 2C19","Cytochrome P450 2D6","Nuclear horm
one receptor subfamily 1 group F member 3","Serotonin receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Nuclear hormone receptors",Adrenoceptors,"Acetylcholine receptors (muscarinic)","CYP3 family","CYP2 family: drug metabolising subset
","1F. Retinoic acid-related orphans","5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Cellular responses to external stimuli","Cell Cycle","DNA Repair","Gene expression (Transcription)","Developmental Biology","Neuronal System","Signaling by G
PCR","Infectious disease","Metabolism of amino acids and derivatives","Metabolism of lipids","Biological oxidations","Cellular responses to stress",Mitotic,"DNA Double-Strand Break Repair","RNA Polyme
rase II Transcription","Nervous system development","Transmission across Chemical Synapses","GPCR ligand binding","Uptake and actions of bacterial toxins","Branched-chain amino acid catabolism","Biosy
nthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular response to hypoxia","M Phase","Homology Directed Repair","Generic Transcription Pathway","EG
R2 and SOX10-mediated initiation of Schwann cell myelination","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G1 phase and G1/S transition","Class A/1 (Rhodopsin-like recept
ors)","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alph
a","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic e
vents","G1/S Transition","Amine ligand-binding receptors","Biosynthesis of maresins",Xenobiotics,"Mitotic Anaphase","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Ce
ll Migration","Post NMDA receptor activation events","Activation of the pre-replicative complex",Adrenoceptors,"Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","CYP2E1 reaction
s","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformation","Pr
esynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ADRA2A,ADRA2B,ADRA2C}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{RESTW33,AKOS026750369,"guanfacine hydrochloride",29110-48-3,29110483,"GUANFACINE HCL",Tenex,Intuniv,"Guanfacine (hydrochloride)",Estulic,"N-Carbamimidoyl-2-(2,6-dichlorophenyl)acetamide hydrochloride
","NCarbamimidoyl2(2,6dichlorophenyl)acetamide hydrochloride",29520-14-7,29520147,"BS 100-141","BS 100141",N-(Aminoiminomethyl)-2,N(Aminoiminomethyl)2,6-dichlorobe,6dichlorobe,T2150,Prestw-339,"Guanfa
cine hydrochloride"}

> <pdid>
PD009591

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60204077,71401}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    3.9000    2.2500    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.4992    0.7496    0.0000 O   0  0
    9.7838   -0.9467    0.0000 C   0  0
    9.0000    0.4206    0.0000 N   0  0
    9.7838    1.7149    0.0000 C   0  0
   11.0781    2.0430    0.0000 C   0  0
   10.6771    0.6029    0.0000 C   0  0
   11.0781   -1.2930    0.0000 C   0  0
   12.2448   -0.3633    0.0000 C   0  0
   13.5027   -1.0925    0.0000 C   0  0
   14.8152   -0.3633    0.0000 C   0  0
   16.1095   -1.0925    0.0000 N   0  0
   17.4039   -0.3633    0.0000 C   0  0
   17.4039    1.1133    0.0000 C   0  0
   16.1095    1.8607    0.0000 N   0  0
   14.8152    1.1133    0.0000 C   0  0
   13.5027    1.8607    0.0000 C   0  0
   12.2448    1.1133    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  2  0
  2  8  1  0
  8  9  1  0
  8 10  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
 25 26  2  0
 26 14  1  0
 26 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12107

> <plate>
PLATE 015

> <well>
D7

> <supplier_cmpd_name>
Varenicline Tartrate

> <ctcr_id>
5487

> <supplier_cmpd_id>
T1657

> <smiles>
OC(C(O)C(O)=O)C(O)=O.C1NCC2CC1c3cc4nccnc4cc23

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Varenicline tartrate",375815-87-5,375815875,Champix,Varenicline(Tartrate),"CP 526555-18","CP 52655518",CP-526555-18,CP52655518,"CP-526,555-18","CP526,55518",SCHEMBL224851,CHEMBL2062259,"7,8,9,10-Tet
rahydro-6,10-methano-6H-pyrazino(2,3-h)(3)benzazepine tartrate","7,8,9,10Tetrahydro6,10methano6Hpyrazino(2,3h)(3)benzazepine tartrate",AKOS030228787,MCULE-3291763744,MCULE3291763744,FT-0,FT0,S1440,"Va
renicline Tartrate"}

> <pdid>

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{46783232}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    9.6911    1.2101    0.0000 Br  0  5
    2.0949    4.4053    0.0000 C   0  0
    0.6763    4.8927    0.0000 C   0  0
   -0.4564    3.9080    0.0000 C   0  0
   -1.8758    4.3957    0.0000 C   0  0
   -2.9996    3.3656    0.0000 N   0  3
   -4.4047    3.8905    0.0000 C   0  0
   -2.9996    0.5981    0.0000 C   0  0  2  0  0  0
   -1.7408    0.1428    0.0000 C   0  0
   -0.5981    0.5356    0.0000 C   0  0
   -1.1338    1.6158    0.0000 C   0  0
   -2.4550    2.0265    0.0000 C   0  0  1  0  0  0
   -3.8209    1.2230    0.0000 C   0  0
   -5.2493    0.8035    0.0000 O   0  0
   -4.1780   -0.1875    0.0000 C   0  0
    0.6817   -0.2152    0.0000 O   0  0
    1.9863    0.5268    0.0000 C   0  0
    1.9956    2.0267    0.0000 O   0  0
    3.2816   -0.2313    0.0000 C   0  0
    3.2693   -1.7321    0.0000 C   0  0
    1.9645   -2.4721    0.0000 O   0  0
    4.5863    0.5106    0.0000 C   0  0
    5.8820   -0.2451    0.0000 C   0  0
    7.1844    0.4991    0.0000 C   0  0
    7.1911    1.9990    0.0000 C   0  0
    5.8954    2.7549    0.0000 C   0  0
    4.5931    2.0107    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  6
  9 10  1  0
 10 11  1  0
 12 11  1  1
 12  6  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15  8  1  0
 15 13  1  0
 10 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  CHG  2   1  -1   6   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12108

> <plate>
PLATE 015

> <well>
D8

> <supplier_cmpd_name>
Scopolamine butylbromide

> <ctcr_id>
7818

> <supplier_cmpd_id>
T2183

> <smiles>
[Br-].CCCC[N+]1(C)[C@@H]2CC(C[C@H]1C3OC23)OC(=O)C(CO)c4ccccc4

> <pd_targets>
{LMNA,CHRM3,CHRM2,CHRM1,BLM,PMP22}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor",Enzyme,"Unclassified protein"
}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction",Mitotic,"Signaling by GPCR","M Phase","GPCR ligand binding","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Mitotic Anaphase","Amine ligand
-binding receptors","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation","DNA Repair","Developmental Biology","DNA Double-Strand Br
eak Repair","Nervous system development","Homology Directed Repair","EGR2 and SOX10-mediated initiation of Schwann cell myelination","HDR through Homologous Recombination (HRR) or Single Strand Anneal
ing (SSA)","HDR through Homologous Recombination (HRR)","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"cholinergic receptor antagonist"}

> <synonyms>
{scopolamine,"Isoptpo Hyoscine",CHEMBL1187846,51-34-3,51343,BDBM50452855,T2183,S2378,"Scopolamine butylbromide","Butylscopolamine Bromide"}

> <pdid>
PD013105

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11968014}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  1  0            999 V2000
   11.8542    1.3073    0.0000 C   0  0
   10.3542    1.3072    0.0000 C   0  0
    9.6042    0.0082    0.0000 C   0  0
    8.1042    0.0081    0.0000 N   0  0
    7.3541    1.3071    0.0000 C   0  0
    8.1041    2.6062    0.0000 C   0  0
    9.6041    2.6062    0.0000 C   0  0
   10.3571    3.9045    0.0000 O   0  0
   11.8571    3.9024    0.0000 C   0  0
    7.3541    3.9052    0.0000 C   0  0
    5.8532    1.3040    0.0000 C   0  0
    5.1047    0.0031    0.0000 S   0  0  2  0  0  0
    5.8570   -1.2946    0.0000 O   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  5
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 C   0  0
   14.3579    1.2029    0.0000 Na  0  3
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  2  1  0
  7  8  1  0
  8  9  1  0
  6 10  1  0
  5 11  1  0
 12 11  1  6
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 14  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 16  1  0
 20 23  1  0
 23 24  1  0
M  CHG  2  18  -1  25   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12109

> <plate>
PLATE 015

> <well>
D9

> <supplier_cmpd_name>
Esomeprazole Sodium

> <ctcr_id>
11108

> <supplier_cmpd_id>
T2686L

> <smiles>
CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=C(C=C3)OC.[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Esomeprazole Sodium",161796-78-7,161796787,C17H18N3NaO3S,3616AH,ANW-54597,ANW54597,MFCD19705377,QC-1534,QC1534,AK-54759,AK54759,W-6003,W6003,T2686L}

> <pdid>

> <targets>
{H+/K+-ATPase}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{46853837}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    5.0973   -1.8531    0.0000 Na  0  3
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  5
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 S   0  0
   -5.8570    1.2946    0.0000 O   0  0
   -5.8532   -1.3040    0.0000 C   0  0
   -7.3541   -1.3071    0.0000 C   0  0
   -8.1042   -0.0081    0.0000 N   0  0
   -9.6042   -0.0082    0.0000 C   0  0
  -10.3542   -1.3072    0.0000 C   0  0
  -11.8542   -1.3073    0.0000 C   0  0
   -9.6041   -2.6062    0.0000 C   0  0
  -10.3518   -3.9076    0.0000 O   0  0
   -9.5998   -5.2055    0.0000 C   0  0
   -8.1041   -2.6062    0.0000 C   0  0
   -7.3541   -3.9052    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  1  0
 11 12  2  0
 12  4  1  0
  9 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  2  0
 24 16  1  0
 24 25  1  0
M  CHG  2   1   1   8  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12110

> <plate>
PLATE 015

> <well>
D10

> <supplier_cmpd_name>
Esomeprazole Magnesium

> <ctcr_id>
5525

> <supplier_cmpd_id>
T2686

> <smiles>
[Na+].COc1ccc2[n-]c(nc2c1)[S](=O)Cc3ncc(C)c(OC)c3C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"OMEPRAZOLE SODIUM",95510-70-6,95510706,"Esomeprazole Sodium","Omeprazole (sodium)",161796-78-7,161796787,HY-B0113A,HYB0113A,MFCD07802816,AKOS025401287,AK682477,B1388,CS-0014404,CS0014404,"H 168/68 s
odium","Omeprazole sodium (USAN)","95510-70-6 (sodium)","95510706 (sodium)",Andra,"Losec Sodium",(s)-omepra,(s)omepra,T2686,S2233,"Esomeprazole Magnesium"}

> <pdid>

> <targets>
{ATPase}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{12108541,10959536}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    3.9015    0.7475    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    6.4971   -0.7566    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8888   -5.2533    0.0000 N   0  0
    2.5868   -5.9998    0.0000 C   0  0
    2.5792   -7.4998    0.0000 C   0  0
    1.2764   -8.2433    0.0000 C   0  0
   -0.0189   -7.4867    0.0000 C   0  0
   -1.3217   -8.2302    0.0000 F   0  0
   -0.0113   -5.9867    0.0000 C   0  0
    1.2915   -5.2433    0.0000 C   0  0
    2.5965   -3.0004    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    8.9978   -2.2466    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  6 15  1  0
 15 16  2  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 26 27  1  0
 27 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12111

> <plate>
PLATE 015

> <well>
D11

> <supplier_cmpd_name>
Revaprazan hydrochloride

> <ctcr_id>
11109

> <supplier_cmpd_id>
T2405

> <smiles>
Cc1c(C)nc(Nc2ccc(F)cc2)nc1N1C(C)c2ccccc2CC1.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ATP4A}

> <broad_moa>
{"potassium-competitive acid antagonist"}

> <synonyms>
{"Revaprazan Hydrochloride",178307-42-1,178307421,Revanex,"Revaprazan HCl","Revaprazan (hydrochloride)",YH1885,Revaprazan,"Revaprazan Hydrochloride (USAN)",YH-1885,"178307-42-1 (HCl)","178307421 (HCl)
","Revaprazan hydrochloride (USAN)","SB 641257A","YH 1885",T2405,"Revaprazan hydrochloride"}

> <pdid>
PD072565

> <targets>
{H+/K+-ATPase,Bacterial,COX}

> <classes>
{Membrane transporter/Ion channel,Anti-infection,Immunology/Inflammation}

> <pubchem_cids>
{204103}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 36  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -5.1939   -3.0126    0.0000 C   0  0
   -6.4955   -2.2672    0.0000 N   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0  2  0  0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.4947    0.7442    0.0000 N   0  0
   10.2968   -2.6271    0.0000 C   0  0
   10.2968   -1.1271    0.0000 C   0  0
    8.9977   -0.3771    0.0000 C   0  0
    7.6987   -1.1271    0.0000 C   0  0
    7.6987   -2.6271    0.0000 C   0  0
    8.9978   -3.3771    0.0000 C   0  0
    6.3974   -0.3793    0.0000 C   0  0
    5.0994   -1.1312    0.0000 O   0  0
    6.3948    1.1207    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  2  1  0
  8  9  2  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  3  0
  6 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 23 25  1  6
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 29 32  1  0
 32 33  2  0
 32 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12112

> <plate>
PLATE 015

> <well>
E2

> <supplier_cmpd_name>
Alogliptin Benzoate

> <ctcr_id>
11110

> <supplier_cmpd_id>
T2401

> <smiles>
Cn1c(=O)cc(n(c1=O)Cc1ccccc1C#N)N1CCC[C@H](C1)N.c1ccc(cc1)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{850649-62-6,850649626,"850649 62 6",Nesina,SYR-322,SYR322,"SYR 322","Alogliptin, benzoate","Alogliptin (Benzoate)",UNII-EEN99869SC,UNIIEEN99869SC,"UNII EEN99869SC","850649-62-6 (benzoate)","850649626
 (benzoate)","850649 62 6 (benzoate)",EEN99869SC,CHEBI:72324,C18H21N5O2.C7H6O2,"Alogliptin benzoate (USAN:JAN)","Vipidia (TN",T2401,"Alogliptin Benzoate"}

> <pdid>

> <targets>
{DPP-4,Dipeptidyl Peptidase,Ferroptosis}

> <classes>
{Proteases/Proteasome,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{16088021}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 28  0  0  1  0            999 V2000
   11.5093   -5.2498    0.0000 Cl  0  5
    3.8976   -0.7465    0.0000 C   0  0
    2.5998   -1.4987    0.0000 C   0  0  1  0  0  0
    2.6028   -2.9995    0.0000 N   0  0
    3.9036   -3.7481    0.0000 C   0  0
    3.9065   -5.2490    0.0000 C   0  0
    5.2073   -5.9976    0.0000 C   0  0
    5.2103   -7.4984    0.0000 C   0  0
    6.5093   -8.2486    0.0000 C   0  0
    6.5092   -9.7486    0.0000 C   0  0
    5.2101  -10.4985    0.0000 C   0  0
    3.9111   -9.7485    0.0000 C   0  0
    3.9112   -8.2485    0.0000 C   0  0
    2.6113  -10.4988    0.0000 C   0  0
    2.6103  -11.9988    0.0000 F   0  0
    1.3126   -9.7483    0.0000 F   0  0
    1.3119  -11.2481    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    9.0093   -5.2498    0.0000 H   0  3
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
  3 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 18  1  0
 27 22  1  0
M  CHG  2   1  -1  28   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12113

> <plate>
PLATE 015

> <well>
E3

> <supplier_cmpd_name>
Cinacalcet hydrochloride

> <ctcr_id>
7570

> <supplier_cmpd_id>
T2406

> <smiles>
[Cl-].C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c2cccc3ccccc23.[H+]

> <pd_targets>
{FFP,HTT,GRM5,CYP2D6,CASR,RORC,GLRA1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor","Transcription factor","Ion channel",Transferase,"Family C G protein-coupled receptor","Cytochrome P450","Nuclear receptor","Ligand-gated ion channel
","Small molecule receptor (family C GPCR)","Cytochrome P450 family 2","Ion receptor (family C GPCR)","Nuclear hormone receptor subfamily 1","Glycine receptor","Neurotransmitter receptor (family C GPC
R)","Cytochrome P450 family 2D","Calcium sensing receptor","Nuclear hormone receptor subfamily 1 group F","Metabotropic glutamate receptor","Cytochrome P450 2D6","Nuclear hormone receptor subfamily 1 
group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","Cytochrome P450","Nuclear hormone receptors","Ligand-gated ion channels","Metabotropic glutamate receptors","CYP2 family: drug metaboli
sing subset","Calcium-sensing receptor","1F. Retinoic acid-related orphans","Glycine receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction",Metabolism,"Neuronal System","RNA Polymerase II Transcription","Signaling by GPCR","Biological oxidations","Transmission across Chemical Synaps
es","Generic Transcription Pathway","GPCR downstream signalling","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Transcriptional Regulatio
n by MECP2","G alpha (q) signalling events","Cytochrome P450 - arranged by substrate type","G alpha (i) signalling events","Transcriptional regulation by RUNX3","Regulation of MECP2 expression and act
ivity",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","CYP2E1 reactions"}

> <broad_targets>
{CASR}

> <broad_moa>
{"calcium channel activator"}

> <synonyms>
{SCHEMBL133710,AKOS025117442,"Cinacalcet hydrochloride",364782-34-3,364782343,"Cinacalcet HCl",Sensipar,Mimpara,Regpara,"AMG073 HCl","Cinacalcet (hydrochloride)",UNII-1K860WSG25,UNII1K860WSG25,"AMG 07
3","AMG-073 HCl (Cinacalcet hydrochloride)","AMG073 HCl (Cinacalcet hydrochloride)",CHEBI:48391,1K860WSG25,Parareg,S1260}

> <pdid>
PD009594

> <targets>
{CaSR}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{57504192,156418}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    8.1022    2.6072    0.0000 C   0  0
    7.3541    1.3071    0.0000 O   0  0
    5.8532    1.3040    0.0000 C   0  0
    5.1009    2.6017    0.0000 O   0  0
    5.1047    0.0031    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -6.2524    0.2436    0.0000 C   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  8  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12114

> <plate>
PLATE 015

> <well>
E4

> <supplier_cmpd_name>
Nocodazole

> <ctcr_id>
11111

> <supplier_cmpd_id>
T2802

> <smiles>
COC(=O)Nc1nc2c([nH]1)cc(cc2)C(=O)c1cccs1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{HPGDS}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{nocodazole,31430-18-9,31430189,Oncodazole,"R 17934",Nocodazolum,Nocodazol,"NSC 238159","R 17,934",C14H11N3O3S,"Methyl N-(6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl)carbamate","Methyl N(6(thiophene
2carbonyl)1Hbenzimidazol2yl)carbamate","methyl (5-(thiophene-2-carbonyl)-1H-benzo(d)imidazol-2-yl)carbamate","methyl (5(thiophene2carbonyl)1Hbenzo(d)imidazol2yl)carbamate",UNII-,UNII,T2802,Nocodazole}

> <pdid>

> <targets>
{Abl,"Abl (E255K)","Abl (T315I)",microtubule}

> <classes>
{Angiogenesis,"Cytoskeletal Signaling"}

> <pubchem_cids>
{4122}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 29  0  0  1  0            999 V2000
   -1.3047   -9.7581    0.0000 C   0  0
   -1.3042   -8.2581    0.0000 C   0  0
   -2.6033   -7.5081    0.0000 C   0  0
   -0.0047   -7.5072    0.0000 C   0  0
   -0.0043   -6.0064    0.0000 C   0  0  2  0  0  0
    1.2952   -5.2556    0.0000 N   0  0
    1.2956   -3.7547    0.0000 C   0  0
   -0.0034   -3.0048    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    2.5973   -1.5030    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8935   -3.7569    0.0000 N   0  0
    3.8914   -5.2577    0.0000 C   0  0
    2.5911   -6.0055    0.0000 O   0  0
    5.1896   -6.0107    0.0000 C   0  0
    5.1898   -7.5108    0.0000 C   0  0
    6.4888   -8.2607    0.0000 N   0  0
    7.7878   -7.5107    0.0000 C   0  0
    7.7878   -6.0107    0.0000 C   0  0
    6.4888   -5.2607    0.0000 N   0  0
   -1.3025   -5.2533    0.0000 B   0  0
   -1.3004   -3.7533    0.0000 O   0  0
   -2.6029   -6.0011    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
  5 26  1  0
 26 27  1  0
 26 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12115

> <plate>
PLATE 015

> <well>
E5

> <supplier_cmpd_name>
Bortezomib

> <ctcr_id>
2910

> <supplier_cmpd_id>
T2399

> <smiles>
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O

> <pd_targets>
{ELANE,CTSG,CMA1,PSMB8,PSMB1,ADRM1,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB2,PSMB3,PSMB4,PSMB5,PSMB6,PSMB7,PSMB9,PSMC1,PSMC2,PSMC3,PSMC4,PSMC5,PSMC6,PSMD1,PSMD11,PSMD12,PSMD1
3,PSMD14,PSMD2,PSMD3,PSMD4,PSMD6,PSMD7,PSMD8,SEM1,CTSA,CA7,MTCA1,CA5A,CA1,CA3,CA5B,CA14,CA2,CA12,F2,CA4,CTRB1,CA9,CA13,CA6,CA15,NFKB1,NFKB2,RELA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Protease,Lyase,Hydrolase,"Serine protease","Threonine protease","Metallo protease","Serine protease PA clan","Threonine protease PBT clan","Metallo protease MP clan",
"Serine protease SC clan","Serine protease S1A subfamily","Threonine protease T1A subfamily","Metallo protease M67 family","Serine protease S10 family","Threonine protease T1B subfamily","Metallo prot
ease M67A subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Peptidases and proteinases","Carbonic anhydrases","Anti-infective targets","PA: Serine (S) Peptidases","PB: Threonine (T) Peptidases","SC: Serine (S) Peptidases","Ant
imalarial targets","S1: Chymotrypsin","T1: Proteasome","S10: Carboxypeptidase Y","Other antimalarial targets"}

> <pathway_reactome>
{"Immune System",Disease,"Extracellular matrix organization","Cell Cycle","Metabolism of proteins",Metabolism,"Transport of small molecules","Cellular responses to external stimuli","Innate Immune Sys
tem","Infectious disease","Degradation of the extracellular matrix",Mitotic,"Post-translational protein modification","Reversible hydration of carbon dioxide","Cytokine Signaling in Immune system","O2
/CO2 exchange in erythrocytes","Diseases of hemostasis","Metabolism of vitamins and cofactors","Cellular responses to stress","Complement cascade","Infection with Mycobacterium tuberculosis","Activati
on of Matrix Metalloproteinases","Regulation of mitotic cell cycle","Asparagine N-linked glycosylation","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Defects of
 contact activation system (CAS) and kallikrein/kinin system (KKS)","Metabolism of water-soluble vitamins and cofactors","Cellular response to hypoxia","Regulation of Complement cascade","Response of 
Mtb to phagocytosis","APC/C-mediated degradation of cell cycle proteins","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosaccharide","LLO) and transfer to a nascent protein","Inter
leukin-12 family signaling","Defective factor VIII causes hemophilia A","Cobalamin (Cbl","vitamin B12) transport and metabolism","Regulation of gene expression by Hypoxia-inducible Factor","Suppressio
n of apoptosis","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Synthesis of substrates in N-glycan biosythesis","Interleukin-12 signaling","Defective F8 cleavage by th
rombin","APC/C:Cdc20 mediated degradation of mitotic proteins","Sialic acid metabolism","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","APC:Cdc20 mediated degrada
tion of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB1,PSMB10,PSMB11,PSMB2,PSMB3,PSMB4,PSMB5,PSMB6,PSMB7,PSMB8,PSMB9,PSMD1,PSMD2,RELA}

> <broad_moa>
{"NFkB pathway inhibitor","proteasome inhibitor"}

> <synonyms>
{Bortezomib,179324-69-7,179324697,Velcade,PS-341,PS341,LDP-341,LDP341,"Bortezomib (PS-341)","Bortezomib (PS341)","Ps 341",UNII-69G8BD63PP,UNII69G8BD63PP,"Bortezomib (Velcade)",MLN-341,MLN341,MG-341,MG
341,NSC-681239,NSC681239,69G8BD63PP,CHEMBL325041,"Peptide boronate",CHEBI:52717,MFCD09056737,NCGC00242506-02,NCGC0024250602,S1013,DS,T2399,10008822,681239,"NSC 681239",bortezomib,BORTEZOMIB}

> <pdid>
PD003632

> <targets>
{Proteasome Inhibitors,Apoptosis,Autophagy,NF-ºB,Proteasome}

> <classes>
{Proteasome inhibitor,Apoptosis,Autophagy,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{387447}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 50  0  0  0  0            999 V2000
    4.8086   -5.7146    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 O   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -5.2029   -2.9932    0.0000 C   0  0
   -6.4990   -0.7410    0.0000 O   0  0
   -7.8003   -1.4887    0.0000 C   0  0
   -7.8029   -2.9887    0.0000 O   0  0
   -9.0990   -0.7365    0.0000 O   0  0
  -10.4003   -1.4842    0.0000 C   0  0
  -11.6994   -0.7342    0.0000 C   0  0
  -12.9984   -1.4842    0.0000 C   0  0
  -12.9984   -2.9842    0.0000 C   0  0
  -11.6994   -3.7342    0.0000 C   0  0
  -10.4004   -2.9843    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.1815   -9.7846    0.0000 C   0  0
    2.6502  -10.0894    0.0000 C   0  0
    3.1207  -11.5137    0.0000 C   0  0
    2.1224  -12.6333    0.0000 C   0  0
    0.6537  -12.3286    0.0000 C   0  0
    0.1832  -10.9042    0.0000 C   0  0
   -1.2862  -10.5994    0.0000 C   0  0
   -1.8838   -9.2375    0.0000 N   0  0
   -3.3745   -9.4039    0.0000 N   0  0
   -3.6769  -10.8731    0.0000 N   0  0
   -2.3731  -11.6147    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 10 26  2  0
 26  6  1  0
 26 27  1  0
 27  4  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 32 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 35  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 41  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12116

> <plate>
PLATE 015

> <well>
E6

> <supplier_cmpd_name>
Candesartan Cilexetil

> <ctcr_id>
4446

> <supplier_cmpd_id>
T2400

> <smiles>
CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc4ccc(cc4)c5ccccc5c6[nH]nnn6

> <pd_targets>
{RORC,POLK,RECQL,AGTR1,ALOX15,HBB,HPGD,TP53,POLI,HSD17B10,KDM4E,MAPK1,CYP3A4,POLH,SLCO1B3,SLCO1B1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Membrane receptor","Secreted protein","Epigenetic regulator",Transporter,"Nuclear receptor","Family A G protein-coupled receptor",Protease,Oxidoreductase,Transferase,Er
aser,Kinase,"Cytochrome P450","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Cysteine protease","Lysine demethylase","Protein Kinase","Cytochr
ome P450 family 3","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Cysteine protease CA clan","Jumonji domain-containing",
"CMGC protein kinase group","Cytochrome P450 family 3A","SLC21/SLCO family of organic anion transporting polypeptides","Nuclear hormone receptor subfamily 1 group F member 3","Angiotensin receptor","C
ysteine protease C1A family","CMGC protein kinase MAPK family","Cytochrome P450 3A4","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Cytochrome P450","SLC superfamily 
of solute carriers","1F. Retinoic acid-related orphans","Angiotensin receptors",Lipoxygenases,"Prostaglandin synthases","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families"
,"CYP3 family","SLCO family of organic anion transporting polypeptides","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair","Signal Transduction",Metabolism,"Immune System","Cell Cycle","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Signaling by GPCR","Me
tabolism of lipids","Innate Immune System","Cell Cycle Checkpoints","DNA Damage Bypass","Metabolism of amino acids and derivatives","Generic Transcription Pathway","Homology Directed Repair","GPCR lig
and binding","Biosynthesis of specialized proresolving mediators (SPMs)","Neutrophil degranulation","G1/S DNA Damage Checkpoints","Translesion synthesis by Y family DNA polymerases bypasses lesions on
 DNA template","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Metabolism of steroids","Transcriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single
 Strand Annealing (SSA)","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Termination of transle
sion DNA synthesis","Toll Like Receptor 5 (TLR5) Cascade","Bile acid and bile salt metabolism","RUNX3 Regulates Immune Response and Cell Migration","HDR through Homologous Recombination (HRR)","Peptid
e ligand-binding receptors","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane","Biosynthesis of mare
sins","Recycling of bile acids and salts","Biosynthesis of DPAn-3-derived protectins and resolvins","Stabilization of p53","MAP kinase activation","Biosynthesis of maresin-like SPMs","Autodegradation 
of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS015894954,"Candesartan cilexetil",145040-37-5,145040375,Atacand,TCV-116,TCV116,Amias,Parapres,Kenzen,candesartancilexetil,"CANDESARTAN CILEXTIL","TCV 116",C33H34N6O6,CHEMBL1014,CHEBI:3348,"TCY 11
6",MFCD00871371,"Candesartan cilexetil (",1504261}

> <pdid>
PD001206

> <targets>
{}

> <classes>
{"angiotensin 1 receptor antagonist"}

> <pubchem_cids>
{2540}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  0  0            999 V2000
    6.3933   -1.1190    0.0000 Na  0  3
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    1.2948    3.7517    0.0000 O   0  5
    3.8926    3.7566    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -5.2089   -5.9859    0.0000 Br  0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  4  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  3  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
M  CHG  2   1   1   7  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12117

> <plate>
PLATE 015

> <well>
E7

> <supplier_cmpd_name>
Bromfenac sodium

> <ctcr_id>
3758

> <supplier_cmpd_id>
T2403

> <smiles>
[Na+].Nc1c(CC([O-])=O)cccc1C(=O)c2ccc(Br)cc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"BROMFENAC SODIUM",91714-93-1,91714931,BromSite,"Benzeneacetic acid, 2-amino-3-(4-bromobenzoyl)-, monosodium salt","Benzeneacetic acid, 2amino3(4bromobenzoyl), monosodium salt",UNII-9X8YF771OU,UNII9X
8YF771OU,"Bromfenac (sodium)",Bronuck,Xibrom,"bromfenac sodium salt",CHEBI:140536,"Bromfenac monosodium salt sesquihydrate",T2403,S4248,"Bromfenac sodium","Bromfenac Sodium"}

> <pdid>
PD010398

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{23693301}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    5.6484   -0.2523    0.0000 Na  0  3
    3.1476   -0.7184    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.5283    2.0123    0.0000 N   0  0
   -3.9246    1.4620    0.0000 C   0  0
   -5.0999    2.3954    0.0000 C   0  0
   -6.4962    1.8451    0.0000 C   0  0
   -7.6715    2.7784    0.0000 C   0  0
   -9.0678    2.2281    0.0000 C   0  0
  -10.2431    3.1615    0.0000 C   0  0
  -11.6394    2.6112    0.0000 C   0  0
  -11.8604    1.1276    0.0000 O   0  5
  -12.8141    3.5440    0.0000 O   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1695   -0.6090    0.0000 C   0  0
   -3.7175   -2.0053    0.0000 C   0  0
   -2.7822   -3.1781    0.0000 C   0  0
   -3.3302   -4.5744    0.0000 Cl  0  0
   -1.2990   -2.9545    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 S   0  0
   -0.1320   -2.7707    0.0000 O   0  0
    2.2485   -1.6245    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 10 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 21  1  0
 27 28  1  0
 28  3  1  0
 28 29  2  0
 28 30  2  0
M  CHG  2   1   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12118

> <plate>
PLATE 015

> <well>
E8

> <supplier_cmpd_name>
Tianeptine sodium

> <ctcr_id>
1640

> <supplier_cmpd_id>
T2402

> <smiles>
[Na+].CN1c2ccccc2C(NCCCCCCC([O-])=O)c3ccc(Cl)cc3[S]1(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{30123-17-2,30123172,"30123 17 2","Tianeptine sodium salt",Stablon,Coaxil,Tatinol,"Tianeptine (sodium salt)","Tianeptine sodium salt hydrate","(+)-Tianeptine Monosodium Salt","(+)Tianeptine Monosodium
 Salt","(+) Tianeptine Monosodium Salt",S-1574,S1574,"S 1574",169293-32-7,169293327,"169293 32 7",C21H24ClN2NaO4S,UNII-7LI031265R,UNII7LI031265R,"UNII 7LI031265R","30123-17-2 (sodium)","30123172 (sodi
um)","30123 17 2 (sodium)",7LI,T2402,S1436,"Tianeptine sodium"}

> <pdid>

> <targets>
{"5-HT Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{23663953}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    7.5844   -1.4920    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 N   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.2135   -2.9844    0.0000 S   0  0
    0.0000   -3.8661    0.0000 C   0  0
    0.0000   -5.3661    0.0000 C   0  0
    1.2135   -2.9844    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22  8  1  0
 22 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12119

> <plate>
PLATE 015

> <well>
E9

> <supplier_cmpd_name>
Olanzapine

> <ctcr_id>
363

> <supplier_cmpd_id>
T1567

> <smiles>
CN1CCN(CC1)C2=Nc3ccccc3Nc4sc(C)cc24

> <pd_targets>
{DRD2,HRH1,HTR2A,HTR2B,HTR2C,ADRA2A,ADRA2B,ADRA2C,DRD3,DRD4,HTR1A,KCNH2,CHRM3,LMNA,KMT2A,MEN1,GFER,ALOX15,HTR1B,ADRA1A,HTR6,ABCB11,NET,CHRM5,GAA,CHRM2,CHRM1,SLC6A2,CHRM4,ADRA1B,DRD5,H1-0,ADRA1D,HTR7,M
APK1,HTR3A,SLC6A4,HTR3B,HTR3C,HTR3D,HTR3E,DRD1,ADRB1,ADRB2,ADRB3,HTR1D,HTR1E,HTR1F,GABRA1,GABRA2,GABRA3,GABRA5,GABRG1,GABRG2,GABRG3,CCKBR,OPRD1,OPRK1,SLC6A3,CYSLTR1,SCN10A,CACNA1C,CCK,ARRB1,SIGMAR1,TB
XA2R,OPRM1,TAC1}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Other nuclear protein","Epigenetic regulator",Enzyme,Transporter,"Secreted protein","Unclassified protein","Family A G protein-coupled receptor","Voltage-gated ion 
channel",Reader,Oxidoreductase,"Primary active transporter","Electrochemical transporter",Hydrolase,Kinase,"Ligand-gated ion channel","Small molecule receptor (family A GPCR)","Potassium channels",Bro
modomain,"ATP-binding cassette","SLC superfamily of solute carriers","Protein Kinase","5HT3 receptor","Peptide receptor (family A GPCR)","GABA-A receptor","Voltage-gated sodium channel","Voltage-gated
 calcium channel","Monoamine receptor","Voltage-gated potassium channel","ABCB subfamily","SLC06 neurotransmitter transporter family","CMGC protein kinase group","Short peptide receptor (family A GPCR
)","Lipid-like ligand receptor (family A GPCR)","Dopamine receptor","Histamine receptor","Serotonin receptor","Adrenergic receptor","Acetylcholine receptor","CMGC protein kinase MAPK family","Cholecys
tokinin receptor","Opioid receptor","Leukotriene receptor","Prostanoid receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,Transporters,"Other protein targets","G protein-coupled receptors","Voltage-gated ion channels","Eicosanoid turnover","ATP-binding cassette transporter family","3.2.1
.- Glycosidases","Kinases (EC 2.7.x.x)","Ligand-gated ion channels","SLC superfamily of solute carriers","Sigma receptors","Dopamine receptors","Histamine receptors","5-Hydroxytryptamine receptors","P
otassium channels","Acetylcholine receptors (muscarinic)",Adrenoceptors,Lipoxygenases,"ABCB subfamily","CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-HT<sub>3</sub> receptors","SLC6 neurotransmitt
er transporter family","Cholecystokinin receptors","Opioid receptors","GABA<sub>A</sub> receptors","Leukotriene receptors","Voltage-gated sodium channels","Voltage-gated calcium channels","Prostanoid 
receptors","Voltage-gated potassium channels","Mitogen-activated protein kinases (MAP kinases)","Monoamine transporter subfamily","ERK subfamily"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Muscle contraction","Cell Cycle","Protein localization",Metabolism,"Cellular responses to external stimuli","Immune System","Neuronal System","Gene expression (Transcri
ption)","Developmental Biology","Signaling by GPCR","Infectious disease","Cardiac conduction",Mitotic,"Mitochondrial protein import","Metabolism of lipids","Diseases of metabolism","Cellular responses
 to stress","Innate Immune System","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Disorders of transmembrane transporters","Nervous system development","Diseases of signal 
transduction by growth factor receptors and second messengers","GPCR ligand binding","Leishmania infection","Phase 3 - rapid repolarisation","M Phase","Biosynthesis of specialized proresolving mediato
rs (SPMs)","Metabolism of steroids","Diseases of carbohydrate metabolism","Cellular Senescence","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Neurotr
ansmitter clearance","GPCR downstream signalling","Generic Transcription Pathway","SLC transporter disorders","Axon guidance","Oncogenic MAPK signaling","SARS-CoV Infections","Class A/1 (Rhodopsin-lik
e receptors)","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Biosynthesis of DPA-derived SPMs","Bile acid and bile salt metabolism","Glycogen storage diseases","DNA Damage
/Telomere Stress Induced Senescence","Toll Like Receptor 5 (TLR5) Cascade","Serotonin clearance from the synaptic cleft","G alpha (q) signalling events","Transcriptional Regulation by MECP2","GABA rec
eptor activation","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","L1CAM interactions","NCAM signaling for neurite out-growth","Signaling by RAS mutants","Potential therapeutics for 
SARS","G alpha (i) signalling events","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","Synthesis 
of bile acids and bile salts","Glycogen storage disease type II (GAA)","Formation of Senescence-Associated Heterochromatin Foci (SAHF)","MyD88 cascade initiated on plasma membrane","Gastrin-CREB signa
lling pathway via PKC and MAPK","Peptide ligand-binding receptors","MECP2 regulates neuronal receptors and channels","Interaction between L1 and Ankyrins","NCAM1 interactions","Signaling downstream of
 RAS mutants","Eicosanoid ligand-binding receptors","Opioid Signalling","Dopamine receptors","Histamine receptors","Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production","Musc
arinic acetylcholine receptors",Adrenoceptors,"Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Synthesis of bile acids and bile salts via 7alpha-hydroxycho
lesterol","MAP kinase activation","LTC4-CYSLTR mediated IL4 production","Prostanoid ligand receptors","G-protein activation","Tachykinin receptors bind tachykinins","Initiation of Nuclear Envelope (NE
) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA2A,ADRA2B,ADRA2C,ADRB1,ADRB2,ADRB3,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD1,DRD2,DRD3,DRD4,DRD5,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GA
BRG3,GABRP,GABRQ,HRH1,HRH2,HRH4,HTR1A,HTR1B,HTR1D,HTR1E,HTR1F,HTR2A,HTR2B,HTR2C,HTR3A,HTR5A,HTR6,HTR7}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{AB00639907-07,AB0063990707,AB00639907_08,AB0063990708,AB00639907-08,"AB00639907 08",olanzapine,132539-06-1,132539061,Zyprexa,"Zyprexa Zydis",Olansek,Zalasta,"Zyprexa Intramuscular",Zolafren,Zypadhera
,"Zyprexa Velotab",LY-170053,LY170053,"2-Methyl-4-(4-methylpiperazin-1-yl)-10H-benzo(b)thieno(2,3-e)(1,4)diazepine","2Methyl4(4methylpiperazin1yl)10Hbenzo(b)thieno(2,3e)(1,4)diazepine",Ol,T1567,S2493,
SAM001246652,1505024,Prestw-1455,Olanzapine,CPD000466345,OLANZAPINE}

> <pdid>
PD000646

> <targets>
{"Dopamine Receptor","5-HT Receptor"}

> <classes>
{antipsychotic,"Neuronal Signaling"}

> <pubchem_cids>
{135398745}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    3.3303   -4.5744    0.0000 Cl  0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 C   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 O   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.4011   -2.9095    0.0000 N   0  0
   -2.9046   -2.9463    0.0000 C   0  0
   -3.6237   -4.2627    0.0000 C   0  0
   -2.8432   -5.5436    0.0000 N   0  0
   -1.3436   -5.5082    0.0000 C   0  0
   -0.6245   -4.1918    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 14 21  1  0
 21  5  1  0
 21 22  2  0
 22  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12120

> <plate>
PLATE 015

> <well>
E10

> <supplier_cmpd_name>
Amoxapine

> <ctcr_id>
251

> <supplier_cmpd_id>
T1568

> <smiles>
Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1

> <pd_targets>
{HTR6,HTR2A,SMN1,TSHR,HIF1A,ALDH1A1,ADRA1A,HTR2C,SLC6A2,SLC6A4,HTR7,DRD2,DRD3,SULT1A1,DRD4,NFO,THPO,CYP3A4,ADRA1B,HRH4,THRB,NPSR1,CYP1A2,SLC6A3,CHRM1,CYP2D6,KDM4E,TDP1,LMNA,KMT2A,MEN1,TP53,PMP22,NFKB1
,FTL,ADRA1D,ADRA2C,HRH1,CHRM2,MTOR,CHRM4,HTR2B,ADRA2B,ADRA2A,CHRM5,HTR1A,CHRM3,DRD1,DRD5,GABRA1,HTR3A,HTR1B,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GAB
RP,GABRQ}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator","Transcription factor",Enzyme,Transporter,"Unclassified protein","Other nuclear protein","Other cytosolic protein","Ion channel","Family A G protein-coupled
 receptor",Reader,Oxidoreductase,"Electrochemical transporter",Transferase,Hydrolase,"Cytochrome P450","Nuclear receptor",Eraser,Kinase,"Ligand-gated ion channel","Small molecule receptor (family A GP
CR)","Methyl-lysine/arginine binding protein","Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Cytochrome P450
 family 1","Cytochrome P450 family 2","Lysine demethylase",Bromodomain,"Protein Kinase","GABA-A receptor","5HT3 receptor","Monoamine receptor","Tudor domain","Glycohormone receptor","SLC06 neurotransm
itter transporter family","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group A","Short peptide receptor (family A GPCR)","Cytochrome P450 family 1A","Cytochrome P450 family 2D","J
umonji domain-containing","Atypical protein kinase group","Serotonin receptor","Adrenergic receptor","Dopamine receptor","Cytochrome P450 3A4","Histamine receptor","Nuclear hormone receptor subfamily 
1 group A member 2","Neuropeptide receptor","Cytochrome P450 1A1","Acetylcholine receptor","Cytochrome P450 2D6","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Ion channels","G protein-coupled receptors","SLC superfamily of solute carriers","Cytochrome P450","Nuclear hormone receptors","Chromatin modifying enzymes","Kinases (
EC 2.7.x.x)","Ligand-gated ion channels","5-Hydroxytryptamine receptors","Glycoprotein hormone receptors",Adrenoceptors,"SLC6 neurotransmitter transporter family","Dopamine receptors","CYP3 family","H
istamine receptors","1A. Thyroid hormone receptors","Neuropeptide S receptor","CYP1 family","Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising subset","1.14.11.- Histone demethylas
es",Atypical,"GABA<sub>A</sub> receptors","5-HT<sub>3</sub> receptors","Monoamine transporter subfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Signal Transduction","Metabolism of RNA","Cellular responses to external stimuli",Metabolism,"Neuronal System",Hemostasis,"Metabolism of proteins","DNA Repair","Cell Cycle","Developmental Bi
ology","Immune System","Vesicle-mediated transport","Gene expression (Transcription)","Infectious disease","Signaling by GPCR","Metabolism of non-coding RNA","Cellular responses to stress","Biological
 oxidations","Disorders of transmembrane transporters","Transmission across Chemical Synapses","Platelet activation","signaling and aggregation","Metabolism of lipids","Post-translational protein modi
fication","DNA Double-Strand Break Repair",Mitotic,"Cell Cycle Checkpoints","Nervous system development","Cytokine Signaling in Immune system","Membrane Trafficking","RNA Polymerase II Transcription",
"Leishmania infection","GPCR ligand binding","snRNP Assembly","Cellular response to hypoxia","Phase I - Functionalization of compounds","SLC transporter disorders","Neurotransmitter clearance","Phase 
II - Conjugation of compounds","Platelet Aggregation (Plug Formation)","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"Nonhomologous End-Joining (NHEJ)","M Phase","G1/S DNA Da
mage Checkpoints","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Signaling by Interleukins","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Neurotransmitter r
eceptors and postsynaptic signal transmission","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alph
a","Ethanol oxidation","Defective SLC6A2 causes orthostatic intolerance (OI)","Serotonin clearance from the synaptic cleft","Cytosolic sulfonation of small molecules","Biosynthesis of DHA-derived SPMs
","SUMO E3 ligases SUMOylate target proteins","Cytochrome P450 - arranged by substrate type","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Mitotic Metaphase and Anaphase","p53-Dep
endent G1/S DNA damage checkpoint","Interleukin-1 family signaling","Golgi Associated Vesicle Biogenesis","Transcriptional Regulation by TP53","GABA receptor activation","Anti-inflammatory response fa
vouring Leishmania parasite infection","Amine ligand-binding receptors","Biosynthesis of maresins","SUMOylation of intracellular receptors",Xenobiotics,"Mitotic Anaphase","p53-Dependent G1 DNA Damage 
Response","Interleukin-1 signaling","Regulation of TP53 Activity","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors",Adrenoceptors,"Dopamine receptors","Biosynthesis of ma
resin-like SPMs","Histamine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","St
abilization of p53","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin 
ligase COP1","Regulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD1,DRD2,DRD3,DRD4,DRD5,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,
GABRQ,HRH1,HRH4,HTR1A,HTR1B,HTR2A,HTR2B,HTR2C,HTR3A,HTR6,HTR7,SLC6A2,SLC6A3,SLC6A4}

> <broad_moa>
{"norepinephrine reputake inhibitor"}

> <synonyms>
{amoxapine,14028-44-5,14028445,Asendin,Demolox,Moxadil,Amoxan,Desmethylloxapin,Amoxapina,Amoxapinum,Amoxepine,"Dibenz(b,f)(1,4)oxazepine, 2-chloro-11-(1-piperazinyl)-","Dibenz(b,f)(1,4)oxazepine, 2chl
oro11(1piperazinyl)","2-Chloro-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepine","2Chloro11(1piperazinyl)dibenz(b,f)(1,4)oxazepine","CL 67772",CL-67772,CL67772,8-chloro-6-,8chloro6,T1568,SAM002564189,23001
61,Prestw-102,Amoxapine,CPD000058416,AMOXAPINE}

> <pdid>
PD000076

> <targets>
{Others}

> <classes>
{antidepressant,inhibits norepinephrine uptake,Others}

> <pubchem_cids>
{2170}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 45  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0  2  0  0  0
    3.8971    3.7500    0.0000 C   0  0
    3.8971    5.2500    0.0000 C   0  0
    5.1961    6.0001    0.0000 C   0  0
    5.1961    7.5001    0.0000 C   0  0
    3.8970    8.2500    0.0000 C   0  0
    3.9001    9.7509    0.0000 N   0  0
    5.2009   10.4995    0.0000 C   0  0
    6.4987    9.7472    0.0000 O   0  0
    5.2040   12.0003    0.0000 C   0  0
    6.5048   12.7488    0.0000 N   0  0
    6.5079   14.2497    0.0000 C   0  0
    7.8080   14.9978    0.0000 C   0  0
    6.5102   15.7497    0.0000 C   0  0
    5.2101   15.0019    0.0000 C   0  0
    2.5980    7.5000    0.0000 C   0  0
    1.2990    8.2500    0.0000 O   0  0
    2.5980    6.0000    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 O   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 N   0  0
   -2.5951   -3.0031    0.0000 O   0  0
    6.4974    5.2523    0.0000 N   0  0
    7.7954    6.0042    0.0000 C   0  0
    6.5001    3.7523    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  4  2  1  6
  4  5  1  0
  5  6  1  1
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 12 22  1  0
 22 23  1  0
 22 24  2  0
 24  9  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27  7  1  0
 27 28  2  3
 28 29  1  0
 28 30  1  0
 30  5  1  0
 30 31  1  6
 30 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  3
 35  4  1  0
 35 36  1  0
 34 37  1  0
 37 38  1  0
 37 39  2  0
 10 40  1  0
 40 41  1  0
 40 42  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12121

> <plate>
PLATE 015

> <well>
E11

> <supplier_cmpd_name>
Tigecycline

> <ctcr_id>
7127

> <supplier_cmpd_id>
T1569

> <smiles>
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(N)=O)N(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AYGAR93,"AY GAR 93",T1C,PubChem21336,Tigecycline,220620-09-7,220620097,"220620 09 7",Tygacil,WAY-GAR-936,WAYGAR936,"WAY GAR 936",GAR-936,GAR936,"GAR 936",TBG-MINO,TBGMINO,"TBG MINO",CHEBI:149836,"Tig
ecycline hydrate",UNII-70JE2N95KR,UNII70JE2N95KR,UNII70JE2N,S1403}

> <pdid>
PD001132

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{54686904}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 44  0  0  0  0            999 V2000
    4.8086   -5.7146    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.1815   -9.7846    0.0000 C   0  0
    2.6502  -10.0894    0.0000 C   0  0
    3.1207  -11.5137    0.0000 C   0  0
    2.1224  -12.6333    0.0000 C   0  0
    0.6537  -12.3286    0.0000 C   0  0
    0.1832  -10.9042    0.0000 C   0  0
   -1.2869  -10.6024    0.0000 C   0  0
   -1.7599   -9.1790    0.0000 O   0  0
   -2.2836  -11.7235    0.0000 O   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -4.9539    1.9899    0.0000 C   0  0
   -6.4539    1.9875    0.0000 C   0  0
   -7.2060    3.2854    0.0000 C   0  0
   -6.4580    4.5856    0.0000 C   0  0
   -4.9580    4.5880    0.0000 C   0  0
   -4.2060    3.2901    0.0000 C   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -1.6200    3.9799    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  6  1  0
 12 13  1  0
 13  4  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 10 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
 37 38  1  0
 38 30  1  0
 38 39  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12122

> <plate>
PLATE 015

> <well>
F2

> <supplier_cmpd_name>
Telmisartan

> <ctcr_id>
6179

> <supplier_cmpd_id>
T1570

> <smiles>
CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(O)=O)c5nc6ccccc6n5C

> <pd_targets>
{PPARG,AGTR1,HSD17B10,CYP3A4,CYP2J2,CYP2C9,AGTR2,AGTR1A,AGTR1B,KDM4E,ACE,ABCB11,ALDH1A1,NPSR1,MAPK1,GLRA1,SLCO1B3,SLCO1B1,SLC47A1,ABCC3,ABCC4}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor",Enzyme,"Epigenetic regulator",Transporter,"Ion channel","Nuclear receptor","Family A G protein-coupled receptor",Oxidoreductase,"Cytochrome P450",Eraser,Pro
tease,"Primary active transporter",Kinase,"Ligand-gated ion channel","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Cytochrome P450 family 3",
"Cytochrome P450 family 2","Lysine demethylase","Metallo protease","ATP-binding cassette","Protein Kinase","Glycine receptor","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1
 group C","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Jumonji domain-containing","Metallo protease MAE clan","ABCB subfamily","CMGC protein kinase
 group","SLC21/SLCO family of organic anion transporting polypeptides","SLC47 family of multidrug and toxin extrusion transporters","ABCC subfamily","Nuclear hormone receptor subfamily 1 group C membe
r 3","Angiotensin receptor","Cytochrome P450 3A4","Cytochrome P450 2C9","Metallo protease M2 family","Neuropeptide receptor","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","Nuclear hormone receptors","G protein-coupled receptors","Cytochrome P450","Chromatin modifying enzymes","Peptidases and proteinases","ATP-binding casse
tte transporter family","Kinases (EC 2.7.x.x)","Ligand-gated ion channels","SLC superfamily of solute carriers","1C. Peroxisome proliferator-activated receptors","Angiotensin receptors","CYP3 family",
"CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","MA: Metallo (M) Peptidases","ABCB subfamily","Neuropeptide S receptor","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Glycin
e receptors","SLCO family of organic anion transporting polypeptides","SLC47 family of multidrug and toxin extrusion transporters","ABCC subfamily","M2: Angiotensin-converting  (ACE and ACE2)","Mitoge
n-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction",Metabolism,"Metabolism of proteins",Disease,"Immune System","Neuronal System","Transport of small molecules",Hemostasis,"RNA Polymerase II Tran
scription","Signaling by GPCR","Metabolism of amino acids and derivatives","Metabolism of lipids","Biological oxidations","Peptide hormone metabolism","Infectious disease","Innate Immune System","Tran
smission across Chemical Synapses","SLC-mediated transmembrane transport","Platelet activation","signaling and aggregation","Generic Transcription Pathway","GPCR ligand binding","Branched-chain amino 
acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Metabolism of Angiotensinogen to Angiotensins","Metabolism of steroids","Leishm
ania infection","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Transport of bile salts and organic acids","metal ions and amine compounds","Response t
o elevated platelet cytosolic Ca2+","Transcriptional Regulation by MECP2","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Bile
 acid and bile salt metabolism","Ethanol oxidation","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Platelet degranulation","MECP2 regulates transcription factors","Pe
ptide ligand-binding receptors","Biosynthesis of maresins","Fatty acids",Xenobiotics,"Synthesis of bile acids and bile salts","Anti-inflammatory response favouring Leishmania parasite infection","MyD8
8 cascade initiated on plasma membrane","Recycling of bile acids and salts","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol
","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AGTR1,PPARG}

> <broad_moa>
{"angiotensin receptor antagonist"}

> <synonyms>
{Telmisartan,144701-48-4,144701484,Micardis,Pritor,"BIBR 277",Kinzalmono,BIBR-277,BIBR277,"BIBR 277SE",Telmisattan,"Telmisartan (INN)",UNII-U5SYW473RQ,UNIIU5SYW473RQ,BIBR-277SE,BIBR277SE,BIBR-277-SE,C
33H30N4O2,MFCD00918125,CHEMBL1017,U5SYW473RQ,"BIBR 277 SE",CHEBI:9434,tolura,NCGC000951,T1570,SAM001246602,1505261,Prestw-1350,CPD000466326,TELMISARTAN}

> <pdid>
PD000538

> <targets>
{}

> <classes>
{antihypertensive,"angiotensin II blocker"}

> <pubchem_cids>
{65999}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 Cl  0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3027    3.7529    0.0000 C   0  0
   -0.0012    3.0071    0.0000 C   0  0
    1.2954    3.7612    0.0000 C   0  0
    1.2906    5.2612    0.0000 C   0  0
   -0.0108    6.0071    0.0000 C   0  0
   -1.3074    5.2530    0.0000 C   0  0
    2.5880    6.0158    0.0000 S   0  0
    2.5827    7.5158    0.0000 C   0  0
    3.8899    5.2707    0.0000 O   0  0
    3.8843    6.7705    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 21 23  2  0
 21 24  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12123

> <plate>
PLATE 015

> <well>
F3

> <supplier_cmpd_name>
Etoricoxib

> <ctcr_id>
3914

> <supplier_cmpd_id>
T1574

> <smiles>
Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)[S](C)(=O)=O

> <pd_targets>
{PTGS2,MAPK14,PTGER2,PTGS1,ABCB11,ABCC4}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Transporter,Oxidoreductase,Kinase,"Family A G protein-coupled receptor","Primary active transporter","Protein Kinase","Small molecule receptor (family A GPCR)","ATP-binding
 cassette","CMGC protein kinase group","Lipid-like ligand receptor (family A GPCR)","ABCB subfamily","ABCC subfamily","CMGC protein kinase MAPK family","Prostanoid receptor","CMGC protein kinase p38 s
ubfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Eicosanoid turnover","Kinases (EC 2.7.x.x)","G protein-coupled receptors","ATP-binding cassette transporter family",Cyclooxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CL
K families","Prostanoid receptors","ABCB subfamily","ABCC subfamily","Mitogen-activated protein kinases (MAP kinases)","p38 subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System",Disease,Hemostasis,"Metabolism of lipids","Innate Immune System","Infectious disease","Platelet activation","signaling and aggregation","Biosynthesis of specialized proreso
lving mediators (SPMs)","Toll-like Receptor Cascades","Leishmania infection","Fatty acid metabolism","Metabolism of steroids","Response to elevated platelet cytosolic Ca2+","Biosynthesis of DPA-derive
d SPMs","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Arachidonic acid metabolism","Bile acid and bile salt metabolism","Platelet degranulation","Biosynthesis of DPA
n-3 SPMs","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Synthesis of bile 
acids and bile salts","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear ev
ents mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{"2,3'-Bipyridine, 5-chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-","2,3'Bipyridine, 5chloro6'methyl3(4(methylsulfonyl)phenyl)",Etoricoxib,202409-33-4,202409334,Arcoxia,Algix,Tauxib,Nucoxia,MK-0663,M
K0663,"5-Chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine","5Chloro6'methyl3(4(methylsulfonyl)phenyl)2,3'bipyridine",MK-663,MK663,"MK 0663",5-chloro-6'-methyl-3-(4-(methyls,5chloro6'methy
l3(4(methyls,T1574,Prestw-1408}

> <pdid>
PD009436

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{123619}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  0  0            999 V2000
   -0.5529  -10.3163    0.0000 C   0  0
    0.0576   -8.9462    0.0000 N   0  0
    1.5502   -8.7888    0.0000 C   0  0
    2.1626   -7.4186    0.0000 N   0  0
    1.2830   -6.2026    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.0157   -3.6164    0.0000 S   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 S   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -2.6394    0.8543    0.0000 C   0  0
   -3.7533   -0.1515    0.0000 N   0  0
   -5.1808    0.3090    0.0000 C   0  0
   -3.4388   -1.6182    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
    2.4298  -10.0049    0.0000 C   0  0
    1.8174  -11.3750    0.0000 N   0  3
    0.3254  -11.5292    0.0000 O   0  5
    2.6966  -12.5904    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 12 17  2  0
 17  9  1  0
  3 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2  19   1  20  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12124

> <plate>
PLATE 015

> <well>
F4

> <supplier_cmpd_name>
Nizatidine

> <ctcr_id>
6396

> <supplier_cmpd_id>
T1575

> <smiles>
CNC(/NCCSCc1csc(CN(C)C)n1)=C\[N+]([O-])=O

> <pd_targets>
{ACHE,HRH2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Hydrolase,"Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Histamine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Acetylcholine turnover","G protein-coupled receptors","Histamine receptors"}

> <pathway_reactome>
{Metabolism,Disease,"Metabolism of lipids","Infectious disease","Phospholipid metabolism","Leishmania infection","Glycerophospholipid biosynthesis","Leishmania parasite growth and survival","Synthesis
 of PC","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{HRH2}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{nizatidine,76963-41-2,76963412,Axid,Acinon,Zanizal,Nizax,LY-139037,LY139037,Niaztidine,Nizatidinum,Nizatidina,Nizatidine-d3,Nizatidined3,ZE-101,ZE101,ZL-101,ZL101,SMR000466384,"Acinon (TN)","Axid (TN
)",CHEBI:7601,MFCD00865660,NCGC00016934-01,NCGC0001693401,CAS-76963-41-2,CAS76963412,Prestwick2_000921,Prestwick2000921,Prestwick2-000921,"Prestwick2 000921",SCHEMBL769,SAM001246752,1505985,CPD0004663
84,NIZATIDINE}

> <pdid>
PD003067

> <targets>
{}

> <classes>
{"H2 antagonist",antiulcer}

> <pubchem_cids>
{3033637}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  1  0            999 V2000
    2.2090   -0.3353    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    2.7105   -0.7713    0.0000 O   0  0
    3.4192   -2.8384    0.0000 C   0  0
    4.4371   -3.9401    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 15 14  1  6
 15  5  1  0
 15  9  1  0
  6 16  1  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19  2  1  0
 19 20  1  1
 19 21  1  0
 21 22  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12125

> <plate>
PLATE 015

> <well>
F5

> <supplier_cmpd_name>
Norethindrone

> <ctcr_id>
3254

> <supplier_cmpd_id>
T1514

> <smiles>
C[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C

> <pd_targets>
{PGR,ABCB11,SHBG,AR,ESR1,ESR2,SLC6A4,NR3C1}

> <pathway_gtopdb>
{"Transcription factor",Transporter,"Secreted protein","Nuclear receptor","Primary active transporter","Electrochemical transporter","Nuclear hormone receptor subfamily 3","ATP-binding cassette","SLC 
superfamily of solute carriers","Nuclear hormone receptor subfamily 3 group C","ABCB subfamily","Nuclear hormone receptor subfamily 3 group A","SLC06 neurotransmitter transporter family","Nuclear horm
one receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group C
 member 1"}

> <pathway_chembl>
{Receptors,Transporters,"Nuclear hormone receptors","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Steroid hormone receptors","ABCB subfamily","SLC6 neurotransmitter t
ransporter family","3C. 3-Ketosteroid receptors","Monoamine transporter subfamily","3A. Estrogen receptors"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Gene expression (Transcription)","Neuronal System","Post-translational protein modification","Metabolism of lipids","RNA Polymerase II Transcription","Transmissio
n across Chemical Synapses",SUMOylation,"Metabolism of steroids","Generic Transcription Pathway","Neurotransmitter clearance","SUMO E3 ligases SUMOylate target proteins","Bile acid and bile salt metab
olism","Transcriptional regulation by RUNX2","Serotonin clearance from the synaptic cleft","Transcriptional regulation by RUNX1","FOXO-mediated transcription","SUMOylation of intracellular receptors",
"Synthesis of bile acids and bile salts","RUNX2 regulates bone development","RUNX1 regulates estrogen receptor mediated transcription","FOXO-mediated transcription of oxidative stress","metabolic and 
neuronal genes","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","RUNX2 regulates osteoblast differentiation"}

> <broad_targets>
{PGR}

> <broad_moa>
{"progesterone receptor agonist"}

> <synonyms>
{C20H26O2,Spectrum_001011,Spectrum001011,Spectrum-001011,"Spectrum 001011",Spectrum2_001066,Spectrum2001066,Spectrum2-001066,"Spectrum2 001066",Spectrum3_000521,Spectrum3000521,Spectrum3-000521,"Spect
rum3 000521",Spectrum4_000079,Spectrum4000079,Spectrum4-000079,"Spectrum4 000079",Spectrum5_001198,Spectrum5001198,Spectrum5-001198,"Spectrum5 001198",delta-5(6)-Norethindrone,delta5(6)Norethindrone,B
SPBio_002101,BSPBio002101,BSPBio-002101,"BSPBio 002101",KBioGR_000637,KBioGR000637,KBioGR-000637,"KBioGR 000637",KBioSS_001491,KBioSS001491,KBioSS-001491,"KBioSS 001491",MLS001304093,DivK1c_000553,Div
K1c000553,DivK1c-000553,"DivK1c 000553",SPECTRUM1500437,SPBio_001052,SPBio001052,SPBio-001052,"SPBio 001052",CHEMBL2136460,CHEBI:91679,1500437,NORETHINDRONE}

> <pdid>
PD001834

> <targets>
{}

> <classes>
{progestogen}

> <pubchem_cids>
{5702093}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 31  0  0  1  0            999 V2000
    5.1937   -3.0093    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0  2  0  0  0
    3.8912   -5.2570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 I   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4988    0.0000 O   0  0
   -0.0101    6.0056    0.0000 C   0  0
   -0.0149    7.5056    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 I   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1887   -6.0105    0.0000 O   0  0
   -5.1959   -3.0115    0.0000 C   0  0
   -6.4926   -3.7657    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 I   0  0
  2  1  1  6
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 10 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  1  0
 21 30  2  0
 30  7  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12126

> <plate>
PLATE 015

> <well>
F6

> <supplier_cmpd_name>
Iopamidol

> <ctcr_id>
5731

> <supplier_cmpd_id>
T1576

> <smiles>
C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I

> <pd_targets>
{LMNA}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"radiopaque medium"}

> <synonyms>
{RESTW87,iopamidol,60166-93-0,60166930,Iopamiro,Iopamiron,Isovue,Niopam,Solutrast,Gastromiro,Iopamidolum,UNII-JR13W81H44,UNIIJR13W81H44,SQ-13396,SQ13396,62883-00-5,62883005,"SQ 13,396",CHEBI:31711,JR1
3W81H44,"Iopamidol 300","Solutrast 370",iomapidol,NCGC00016892-01,NCGC0001689201,Oypalomin,"Isovue 370",CAS-6,CAS6,T1576,Prestw-871,Iopamidol}

> <pdid>
PD001698

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{65492}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 18  0  0  0  0            999 V2000
    5.0973   -2.2539    0.0000 Cl  0  0
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0031    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 N   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -2.5908   -6.0056    0.0000 O   0  0
   -5.1894   -6.0109    0.0000 C   0  0
   -5.1872   -7.5109    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 11  4  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12127

> <plate>
PLATE 015

> <well>
F7

> <supplier_cmpd_name>
Midodrine hydrochloride

> <ctcr_id>
590

> <supplier_cmpd_id>
T1577

> <smiles>
Cl.COc1ccc(OC)c(c1)C(O)CNC(=O)CN

> <pd_targets>
{AMPC,ADRA1A,ADRA1B,ADRA1D}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Hydrolase,"Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors",Adrenoceptors}

> <broad_targets>
{}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{AKOS026750147,"MIDODRINE HYDROCHLORIDE",3092-17-9,3092179,Pro-Amatine,ProAmatine,"Midodrine HCL",43218-56-0,43218560,"Midodrine (hydrochloride)","(+-)-Midodrine hydrochloride","(+)Midodrine hydrochlo
ride","St. Peter 224",(+/-)-Midodrin,(+/)Midodrin,"A-4020 Linz","A4020 Linz","St 1085 (as the base)",(+/-)-Midodri,(+/)Midodri,T1577,SAM002564219,1503257,Prestw-191,"Midodrine hydrochloride",CPD000058
833}

> <pdid>
PD010170

> <targets>
{}

> <classes>
{antihypertensive,vasoconstrictor}

> <pubchem_cids>
{11426313,25137866,18340}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 12  0  0  0  0            999 V2000
    8.8933   -2.6293    0.0000 H   0  3
    6.3933   -2.6293    0.0000 Cl  0  5
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8891   -6.7578    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  3  0
  4  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12128

> <plate>
PLATE 015

> <well>
F8

> <supplier_cmpd_name>
Pargyline hydrochloride

> <ctcr_id>
5871

> <supplier_cmpd_id>
T1578

> <smiles>
[H+].[Cl-].CN(CC#C)Cc1ccccc1

> <pd_targets>
{MAOB,MAOA,ALDH2,TSHR,LMNA,ADRA1A,CYP3A4,ALDH1A1,BLM,PYCR1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein",Oxidoreductase,"Family A G protein-coupled receptor","Cytochrome P450","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)",
"Cytochrome P450 family 3","Glycohormone receptor","Monoamine receptor","Cytochrome P450 family 3A","Adrenergic receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Catecholamine turnover","1.-.-.- Oxidoreductases","G protein-coupled receptors","Cytochrome P450","Glycoprotein hormone receptors",Adrenoceptors,"CYP3 family"}

> <pathway_reactome>
{Metabolism,"Neuronal System",Disease,"Cell Cycle","Signal Transduction","DNA Repair","Biological oxidations","Transmission across Chemical Synapses","Infectious disease",Mitotic,"Signaling by GPCR","
Metabolism of lipids","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives","Phase I - Functionalization of compounds","Neurotransmitter clearance","Leishmania infection","M Pha
se","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Glutamate and glutamine metabolism","Amine Oxidase reactions","Serotonin clearance fro
m the synaptic cleft","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","HDR thro
ugh Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Metabolism of serotonin","Anti-inflammatory response fa
vouring Leishmania parasite infection","Mitotic Anaphase","Amine ligand-binding receptors","Biosynthesis of maresins","HDR through Homologous Recombination (HRR)","ADORA2B mediated anti-inflammatory c
ytokines production","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation"
,"Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{MAOA,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{AKOS015901137,"Pargyline hydrochloride",306-07-0,306070,"N-Methyl-N-propargylbenzylamine hydrochloride","NMethylNpropargylbenzylamine hydrochloride","Pargyline HCl",Eutonyl-ten,Eutonylten,"N-benzyl-N
-methylprop-2-yn-1-amine hydrochloride","NbenzylNmethylprop2yn1amine hydrochloride","N-Methyl-N-2-propynylbenzylamine hydrochloride","NMethylN2propynylbenzylamine hydrochloride",Par,T0300,1500462,Pres
tw-183,Pargyline,"PARGYLINE HYDROCHLORIDE"}

> <pdid>
PD009438

> <targets>
{}

> <classes>
{antihypertensive}

> <pubchem_cids>
{657188,9373}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  1  0  0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8972    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0  1  0  0  0
   -5.2920    3.9954    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0  1  0  0  0
   -6.6243    1.0594    0.0000 C   0  0
   -7.4983    2.2785    0.0000 C   0  0
   -6.6089    3.4864    0.0000 C   0  0  2  0  0  0
   -5.9204    4.2117    0.0000 O   0  0
   -8.0649    3.7919    0.0000 C   0  0
   -9.5280    4.1225    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0  2  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  6
 13 14  1  0
 14 15  1  0
 15 10  1  0
 15 16  1  6
 15 17  1  0
 17 18  3  0
 12 19  1  0
 19  7  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22  6  1  0
 22 23  2  0
 23  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12129

> <plate>
PLATE 015

> <well>
F9

> <supplier_cmpd_name>
Mestranol

> <ctcr_id>
5063

> <supplier_cmpd_id>
T1579

> <smiles>
COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1

> <pd_targets>
{PGR,LMNA,AR,RORC,CNR1,SLC6A4,ESR1,SLC6A2}

> <pathway_gtopdb>
{"Transcription factor","Other nuclear protein","Membrane receptor",Transporter,"Nuclear receptor","Family A G protein-coupled receptor","Electrochemical transporter","Nuclear hormone receptor subfami
ly 3","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor sub
family 1 group F","Lipid-like ligand receptor (family A GPCR)","SLC06 neurotransmitter transporter family","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subfamily 3 group C 
member 3","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 1 group F member 3","Cannabinoid receptor","Nuclear hormone receptor subfamily 3 group A member 1"
}

> <pathway_chembl>
{Receptors,Transporters,"Nuclear hormone receptors","G protein-coupled receptors","SLC superfamily of solute carriers","Steroid hormone receptors","1F. Retinoic acid-related orphans","Cannabinoid rece
ptors","SLC6 neurotransmitter transporter family","3C. 3-Ketosteroid receptors","Monoamine transporter subfamily","3A. Estrogen receptors"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Signal Transduction","Neuronal System",Disease,Mitotic,"RNA Polymerase II Transcription","Signaling by GPCR","Transmission across Chemical Synapses","D
isorders of transmembrane transporters","M Phase","Generic Transcription Pathway","GPCR downstream signalling","Neurotransmitter clearance","SLC transporter disorders","Mitotic Metaphase and Anaphase"
,"Transcriptional regulation by RUNX2","Transcriptional regulation by RUNX3","G alpha (i) signalling events","Serotonin clearance from the synaptic cleft","Transcriptional regulation by RUNX1","Defect
ive SLC6A2 causes orthostatic intolerance (OI)","Mitotic Anaphase","RUNX2 regulates bone development","RUNX3 Regulates Immune Response and Cell Migration","RUNX1 regulates estrogen receptor mediated t
ranscription","Nuclear Envelope (NE) Reassembly","RUNX2 regulates osteoblast differentiation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ESR1}

> <broad_moa>
{"estrogen receptor agonist"}

> <synonyms>
{RESTW84,mestranol,72-33-3,72333,Norquen,Menophase,Devocin,Ovastol,"Ethynylestradiol 3-methyl ether","Ethynylestradiol 3methyl ether",Mestranolum,3-Methoxyethynylestradiol,3Methoxyethynylestradiol,EE(
sub3)ME,"Ethynylestradiol methyl ether",3-Methylethynylestradiol,3Methylethynylestradiol,EE3ME,3-O-Methylethynylestradiol,3OMethylethynylestradiol,"Compound 33355",In,SAM001246866,Prestw-846,CPD000059
128}

> <pdid>
PD001868

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6291}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 24  0  0  1  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0  1  0  0  0
    2.5836   -4.3986    0.0000 O   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    3.8900   -1.4008    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15  9  1  0
  6 16  1  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  6
 18 20  1  0
 20  2  1  0
 20 21  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12130

> <plate>
PLATE 015

> <well>
F10

> <supplier_cmpd_name>
Estriol

> <ctcr_id>
4883

> <supplier_cmpd_id>
T1571

> <smiles>
C[C@]12CCC3C(CCc4cc(O)ccc34)C1C[C@@H](O)[C@@H]2O

> <pd_targets>
{SHBG,SERPINA6,ESR1,CYP51,ALOX15,ESR2,SLC6A4,NR3C1,OR51E2,SLCO1A1,AMPC,UGT1A10}

> <pathway_gtopdb>
{"Secreted protein","Transcription factor",Enzyme,Transporter,"Unclassified protein","Nuclear receptor","Cytochrome P450",Oxidoreductase,"Electrochemical transporter",Hydrolase,"Nuclear hormone recept
or subfamily 3","Cytochrome P450 family 51","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 3 group A","Cytochrome P450 family 51A","SLC06 neurotransmitter transporter family"
,"Nuclear hormone receptor subfamily 3 group C","SLC21/SLCO family of organic anion transporting polypeptides","Nuclear hormone receptor subfamily 3 group A member 1","Cytochrome P450 51A1","Nuclear h
ormone receptor subfamily 3 group A member 2","Nuclear hormone receptor subfamily 3 group C member 1",Transferase}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Eicosanoid turnover","SLC superfamily of solute carriers","Steroid hormone receptors",Lipoxygenases,"SLC6 neurotransmitter transporter fami
ly","3A. Estrogen receptors","Monoamine transporter subfamily","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Signal Transduction","Neuronal System","Metabolism of lipids","RNA Polymerase II Transcription","Intracellular signaling by second messengers","Transmiss
ion across Chemical Synapses","Signaling by GPCR","Metabolism of steroids","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","PIP3 activates AKT signaling","N
eurotransmitter clearance","GPCR downstream signalling","Metabolism of steroid hormones","Transcriptional regulation by RUNX1","Biosynthesis of DPA-derived SPMs","Negative regulation of the PI3K/AKT n
etwork","Serotonin clearance from the synaptic cleft","FOXO-mediated transcription","G alpha (s) signalling events","Glucocorticoid biosynthesis","RUNX1 regulates estrogen receptor mediated transcript
ion","Biosynthesis of DPAn-3 SPMs",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Olfactory Signaling Pathway","Bios
ynthesis of DPAn-3-derived protectins and resolvins","Biological oxidations","Phase II - Conjugation of compounds",Glucuronidation}

> <broad_targets>
{ESR1,ESR2}

> <broad_moa>
{"estrogen receptor agonist"}

> <synonyms>
{SR-05000001622,SR05000001622,Spectrum_001054,Spectrum001054,Spectrum-001054,"Spectrum 001054",Spectrum2_000963,Spectrum2000963,Spectrum2-000963,"Spectrum2 000963",Spectrum3_000423,Spectrum3000423,Spe
ctrum3-000423,"Spectrum3 000423",Spectrum4_000542,Spectrum4000542,Spectrum4-000542,"Spectrum4 000542",Spectrum5_000676,Spectrum5000676,Spectrum5-000676,"Spectrum5 000676",BSPBio_002006,BSPBio002006,BS
PBio-002006,"BSPBio 002006",KBioGR_001203,KBioGR001203,KBioGR-001203,"KBioGR 001203",KBioSS_001534,KBioSS001534,KBioSS-001534,"KBioSS 001534",DivK1c_000605,DivK1c000605,DivK1c-000605,"DivK1c 000605",S
PECTRUM1500285,SPBio_000965,SPBio000965,SPBio-000965,"SPBio 000965",SCHEMBL13875387,BDBM25806,CHEBI:91566,HMS501O07,KBio1_000605,KBio1000605,KBio1-000605,"KBio1 000605",KB,T1571,1500285,Estriol,ESTRIO
L}

> <pdid>
PD001139

> <targets>
{}

> <classes>
{estrogen}

> <pubchem_cids>
{5317223}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    1.2916   -5.2495    0.0000 C   0  0
    1.2948   -3.7495    0.0000 N   0  0
   -0.0028   -2.9971    0.0000 C   0  0
    2.5957   -3.0011    0.0000 C   0  0
    2.5990   -1.5003    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7504    0.0000 C   0  0
    3.9010    0.7496    0.0000 O   0  0
    3.8617   -2.2295    0.0000 C   0  0
    5.1601   -2.9806    0.0000 C   0  0
    6.4597   -2.2317    0.0000 C   0  0
    6.4610   -0.7317    0.0000 C   0  0
    5.1626    0.0194    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
  5 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12131

> <plate>
PLATE 015

> <well>
F11

> <supplier_cmpd_name>
Desvenlafaxine

> <ctcr_id>
5177

> <supplier_cmpd_id>
T1580

> <smiles>
CN(C)CC(c1ccc(O)cc1)C2(O)CCCCC2

> <pd_targets>
{SLC6A2,SLC6A4,SLC6A3,ADRA1A}

> <pathway_gtopdb>
{Transporter,"Membrane receptor","Electrochemical transporter","Family A G protein-coupled receptor","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","SLC06 neurotransmit
ter transporter family","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Transporters,Receptors,"SLC superfamily of solute carriers","G protein-coupled receptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"Monoamine transporter subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Signal Transduction","Disorders of transmembrane transporters","Transmission across Chemical Synapses","Signaling by GPCR","SLC transporter disorders","Neurotransmitter cle
arance","GPCR ligand binding","Defective SLC6A2 causes orthostatic intolerance (OI)","Serotonin clearance from the synaptic cleft","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Cl
ass A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors",Adrenoceptors}

> <broad_targets>
{SLC6A2,SLC6A3,SLC6A4}

> <broad_moa>
{"serotoninânorepinephrine reuptake inhibitor (SNRI)"}

> <synonyms>
{Desvenlafaxine,93413-62-8,93413628,O-Desmethylvenlafaxine,ODesmethylvenlafaxine,4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol,4(2(Dimethylamino)1(1hydroxycyclohexyl)ethyl)phenol,"O-desmeth
yl venlafaxine","Odesmethyl venlafaxine",O-Desvenlafaxine,ODesvenlafaxine,"d,l-O-Desmethylvenlafaxine","d,lODesmethylvenlafaxine",CHEBI:83527,"93413-62-8 (free base)","93413628 (free base)","Desvenlaf
axine, 97",1-(2,1(2,T1580,S4113}

> <pdid>
PD009285

> <targets>
{"5-HT Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{125017}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    9.0769  -12.7722    0.0000 O   0  0
    7.7794  -12.0195    0.0000 N   0  0
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12132

> <plate>
PLATE 015

> <well>
G2

> <supplier_cmpd_name>
Vorinostat

> <ctcr_id>
1952

> <supplier_cmpd_id>
T1583

> <smiles>
ONC(=O)CCCCCCC(=O)Nc1ccccc1

> <pd_targets>
{GLI1,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,BRD4,HDA106,NCOR2,NCOR1,HDAH,LTA4H,KDM4E,NR0B1,NR1I2,HD1B,RCOR3,CYP3A4,CFTR,PAX8}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator",Enzyme,"Ion channel","Unclassified protein",Eraser,Reader,Hydrolase,Protease,"Nuclear receptor","Cytochrome P450","Other ion channel","Histone deacetylas
e",Bromodomain,"Metallo protease","Lysine demethylase","Nuclear hormone receptor subfamily 0","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Chloride channel","HDAC class I","HDAC 
class IV","HDAC class IIb","HDAC class IIa","Metallo protease MAE clan","Jumonji domain-containing","Nuclear hormone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group I","Cytoc
hrome P450 family 3A","Cystic fibrosis transmembrane conductance regulator","Metallo protease M1 family","Nuclear hormone receptor subfamily 0 group B member 1","Nuclear hormone receptor subfamily 1 g
roup I member 2","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Other protein targets","Chromatin modifying enzymes","Peptidases and proteinases","Nuclear hormone receptors","Cytochrome P450","Other ion channels","Anti-infective 
targets","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","MA: Metallo (M) Peptidases","1.14.11.- Histone demethylases","0B. DAX-like receptors","1I. Vitamin D recept
or-like receptors","CYP3 family","Chloride channels","Antimalarial targets","Bromodomain kinase (BRDK) family","M1: Aminopeptidase N",CFTR,"Histone deacetylases (HDACs) (<i>Plasmodium</i> spp.)"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Cell Cycle",Disease,Metabolism,"Metabolism of proteins",Autophagy,"Signaling by Hedgehog","RNA Polymerase II Transcription",Mitotic,"Disorders
 of Developmental Biology","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Post-translational protein modification",Macr
oautophagy,"Hedgehog 'off' state","Generic Transcription Pathway","M Phase","Disorders of Nervous System Development","SARS-CoV Infections","Signaling by NOTCH1 in Cancer","Biosynthesis of specialized
 proresolving mediators (SPMs)",SUMOylation,"Selective autophagy","Degradation of GLI1 by the proteasome","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Pervasive developmental
 disorders","Potential therapeutics for SARS","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcriptional regulation by RUNX2","Biosynthesis of DHA-derived SPMs","Nuclear Receptor transcri
ption pathway","SUMO E3 ligases SUMOylate target proteins",Aggrephagy,"Regulation of TP53 Activity","Mitotic Anaphase","Loss of function of MECP2 in Rett syndrome","Constitutive Signaling by NOTCH1 HD
+PEST Domain Mutants","RUNX2 regulates bone development","Biosynthesis of aspirin-triggered D-series resolvins","SUMOylation of intracellular receptors","Biosynthesis of maresins","Regulation of TP53 
Activity through Acetylation","Separation of Sister Chromatids","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast differen
tiation","RUNX2 regulates chondrocyte maturation","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC5,HDAC6,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Vorinostat,149647-78-9,149647789,SAHA,"suberoylanilide hydroxamic acid",Zolinza,N-hydroxy-N'-phenyloctanediamide,NhydroxyN'phenyloctanediamide,"Suberanilohydroxamic acid",N1-hydroxy-N8-phenyloctanedi
amide,N1hydroxyN8phenyloctanediamide,MK-0683,MK0683,"Vorinostat (SAHA, MK0683)","Octanediamide, N-hydroxy-N'-phenyl-","Octanediamide, NhydroxyN'phenyl",N,T1583,701852,10009929,S1047,Prestw-1362,"NSC 7
01852",vorinostat,VORINOSTAT,"SAHA, Zolinza, Vorinostat"}

> <pdid>
PD001323

> <targets>
{HDAC Inhibitors,Autophagy,HDAC,Apoptosis,Filovirus,Mitophagy}

> <classes>
{Epigenetics,HDAC inhibitor,Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5311}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 13  0  0  0  0            999 V2000
    8.8056   -1.8965    0.0000 H   0  3
    6.3056   -1.8965    0.0000 Cl  0  5
    1.8372   -5.2877    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3786   -3.8595    0.0000 N   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  6 14  1  0
 14  3  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12133

> <plate>
PLATE 015

> <well>
G3

> <supplier_cmpd_name>
Terbutaline Sulfate

> <ctcr_id>
3789

> <supplier_cmpd_id>
T1584

> <smiles>
[H+].[Cl-].C1CN=C(Cc2ccccc2)N1

> <pd_targets>
{ADRA2A,ADRA2B,ADRA2C,ADRA1A,TAAR1,TSHR,CYP2D6,ADRA1B,ADRA1D,LMNA,HTR7,CYP1A2,HRH2,HRH1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein","Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cytochrome P45
0 family 2","Cytochrome P450 family 1","Monoamine receptor","Glycohormone receptor","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Adrenergic receptor","Trace amine receptor","Cytochrome P45
0 2D6","Serotonin receptor","Cytochrome P450 1A1","Histamine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450",Adrenoceptors,"Trace amine receptor","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","5-Hydroxytryptamine re
ceptors","CYP1 family","Histamine receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Cell Cycle","Signaling by GPCR","Infectious disease","Biological oxidations",Mitotic,"GPCR ligand binding","Leishmania infection","Phase I - Functionalizatio
n of compounds","M Phase","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Amine ligand
-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Mitotic Anaphase",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 
reactions","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Histamine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA1A,ADRA2A,ADRA2B,ADRA2C,HRH1,HRH2}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{"Tolazoline hydrochloride",59-97-2,59972,"59 97 2","Tolazoline HCl","2-benzyl-4,5-dihydro-1H-imidazole hydrochloride","2benzyl4,5dihydro1Himidazole hydrochloride","2 benzyl 4,5 dihydro 1H imidazole h
ydrochloride","Tolazoline (hydrochloride)",Benzaz,S4127,S4124,SAM002589935,1500580,Prestw-60,"Terbutaline Sulfate",CPD000149600,"TOLAZOLINE HYDROCHLORIDE"}

> <pdid>
PD009716

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"GPCR & G Protein","adrenergic blocker","Neuronal Signaling"}

> <pubchem_cids>
{6048,74764089}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 Cl  0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0008    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -2.5981   -3.0050    0.0000 C   0  0
   -3.8979    3.7504    0.0000 S   0  0
   -5.1966    3.0000    0.0000 N   0  0
   -3.8988    5.2504    0.0000 O   0  0
   -5.1973    4.4998    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  2  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
  8 21  1  0
 21 22  1  0
 21 23  2  0
 21 24  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12134

> <plate>
PLATE 015

> <well>
G4

> <supplier_cmpd_name>
Metolazone

> <ctcr_id>
2857

> <supplier_cmpd_id>
T1585

> <smiles>
CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)[S](N)(=O)=O

> <pd_targets>
{CYP3A4,ALDH1A1,PMP22,NFKB1,HSD17B10,CA7,KDM4E,HPGD,SLC12A3,LMNA,BLM}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Epigenetic regulator",Transporter,"Other nuclear protein","Cytochrome P450",Oxidoreductase,Lyase,Eraser,"Electrochemical transporter","Cytochr
ome P450 family 3","Lysine demethylase","SLC superfamily of solute carriers","Cytochrome P450 family 3A","Jumonji domain-containing","SLC12 family of cation-coupled chloride transporters","Cytochrome 
P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,"Cytochrome P450","Carbonic anhydrases","Chromatin modifying enzymes","Eicosanoid turnover","SLC superfamily of solute carriers","CYP3 family","1.14.11.- Histone demethylases","P
rostaglandin synthases","SLC12 family of cation-coupled chloride transporters"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Immune System",Disease,"Cell Cycle","DNA Repair","Metabolism of lipids","Biological oxidations","Nervous system development","Cytokine Signaling in Immune system",
"Metabolism of amino acids and derivatives","Reversible hydration of carbon dioxide","Disorders of transmembrane transporters",Mitotic,"DNA Double-Strand Break Repair","Biosynthesis of specialized pro
resolving mediators (SPMs)","Phase I - Functionalization of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Signaling by Interleukins","Branched-chain amino acid catabolis
m","SLC transporter disorders","M Phase","Homology Directed Repair","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Interleukin-1 family signaling","Defective SLC12A3 causes Gitelman syndrome 
(GS)","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of maresins","Interleukin-1 signaling","Biosynthesis of D-series reso
lvins","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Nuclear Envelope (NE) Reassembly","Homologous D
NA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{SLC12A3}

> <broad_moa>
{"carbonic anhydrase inhibitor"}

> <synonyms>
{metolazone,17560-51-9,17560519,Zaroxolyn,Diulo,Mykrox,Microx,Metalozone,Metenix,Oldren,Metolazona,Metolazonum,"Metolazonum (INN-Latin)","Metolazonum (INNLatin)","Metolazona (INN-Spanish)","Metolazona
 (INNSpanish)","SR 720-22","SR 72022",SR-720-22,SR72022,"Metolazone (Zaroxolyn)",2-Methyl-3-o-tolyl-6-sulfamyl-7,2Methyl3otolyl6sulfamyl7,T1585,2300325,Prestw-112,Metolazone,METOLAZONE}

> <pdid>
PD000048

> <targets>
{Thrombin}

> <classes>
{antihypertensive,diuretic,Metabolic Enzyme/Protease}

> <pubchem_cids>
{4170}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 S   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 S   0  0
   -1.3164   -2.2191    0.0000 O   0  0
    1.3163   -2.2193    0.0000 O   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  2  0
 10 11  1  0
 11  2  1  0
 11 12  2  0
 11 13  2  0
  3 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12135

> <plate>
PLATE 015

> <well>
G5

> <supplier_cmpd_name>
Tenoxicam

> <ctcr_id>
3684

> <supplier_cmpd_id>
T1586

> <smiles>
CN1C(=C(O)c2sccc2[S]1(=O)=O)C(=O)Nc3ccccn3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{BSPBio_000513,BSPBio000513,BSPBio-000513,"BSPBio 000513",tenoxicam,59804-37-4,59804374,Mobiflex,Tilcotil,Tenoxicamum,Liman,"Tenoxicamum (INN-Latin)","Tenoxicamum (INNLatin)","Ro 12-0068","Ro 120068",
Ro-12-0068,Ro120068,"Ro 12-0068/000","Ro 120068/000",UNII-Z1R9N0A399,UNIIZ1R9N0A399,C13H11N3O4S2,MFCD00083502,MLS000069830,CHEBI:32192,Z1R9N0A399,NCGC00016889-01,NCGC0001688901,Alganex,SMR00,T1586,150
3142,Prestw-527,Tenoxicam,TENOXICAM}

> <pdid>
PD001061

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{54677971}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    2.2500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    3.8900   -1.4008    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16  5  1  0
 16 10  1  0
 16 17  1  0
  6 18  1  0
 18  2  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21  2  1  0
 21 22  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12136

> <plate>
PLATE 015

> <well>
G6

> <supplier_cmpd_name>
Exemestane

> <ctcr_id>
5148

> <supplier_cmpd_id>
T1587

> <smiles>
CC12CCC3C(CC(=C)C4=CC(=O)C=CC34C)C1CCC2=O

> <pd_targets>
{TGR,CYP19A1,ABCB11}

> <pathway_gtopdb>
{Enzyme,Transporter,"Cytochrome P450","Primary active transporter","Cytochrome P450 family 19","ATP-binding cassette","Cytochrome P450 family 19A","ABCB subfamily","Cytochrome P450 19A1"}

> <pathway_chembl>
{Enzymes,Transporters,"Cytochrome P450","ATP-binding cassette transporter family",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Metabolism of lipids","Phase I - Functionalization of compounds","Metabolism of steroids","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt m
etabolism","Endogenous sterols","Synthesis of bile acids and bile salts","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{CYP19A1}

> <broad_moa>
{"aromatase inhibitor"}

> <synonyms>
{CMC20A9M,ACMC-20a9mk,ACMC20a9mk,SCHEMBL2233503,BBL036270,STL445691,AKOS032947273,VS-13397,VS13397,4-AMINO-2-NITRO-3-TOLUENESULFONICACID,4AMINO2NITRO3TOLUENESULFONICACID,A801772,T1587,S1196,Exemestane
}

> <pdid>
PD000653

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4460995}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  7  7  0  0  1  0            999 V2000
    1.6317   -2.2458    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12137

> <plate>
PLATE 015

> <well>
G7

> <supplier_cmpd_name>
D-Cycloserine

> <ctcr_id>
1288

> <supplier_cmpd_id>
T1589

> <smiles>
N[C@@H]1CONC1=O

> <pd_targets>
{BLM,NFO,SMN1,GRIN2C,CYP3A4,LMNA,HIF1A,GRIN1,GRIN2A,GRIN2B,GRIN2D,GRIN3A,GRIN3B,KMT2A,MEN1,MAPK1,TSHR,HSD17B10,ALR,DDL,DDLA}

> <pathway_gtopdb>
{Enzyme,Hydrolase,"Epigenetic regulator","Ion channel","Other nuclear protein","Transcription factor","Membrane receptor",Reader,"Ligand-gated ion channel","Cytochrome P450",Kinase,"Family A G protein
-coupled receptor",Oxidoreductase,Isomerase,Ligase,"Methyl-lysine/arginine binding protein","Ionotropic glutamate receptor","Cytochrome P450 family 3",Bromodomain,"Protein Kinase","Peptide receptor (f
amily A GPCR)","Tudor domain","NMDA receptor","Cytochrome P450 family 3A","CMGC protein kinase group","Glycohormone receptor","Cytochrome P450 3A4","CMGC protein kinase MAPK family","CMGC protein kina
se ERK1"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Ligand-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Ionotropic glutamate receptors","CYP3 family","CMGC: Containing CD
K",MAPK,GSK3,"CLK families","Glycoprotein hormone receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"DNA Repair","DNA Double-Strand Break Repair","Homology Directed Repair","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Ho
mologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange","Metabolism of RNA","Neuronal System",Metabolism,"Cell Cycle","Cellular responses to externa
l stimuli","Immune System",Disease,"Metabolism of non-coding RNA","Transmission across Chemical Synapses","Metabolism of lipids",Mitotic,"Cellular responses to stress","Innate Immune System","Infectio
us disease","Metabolism of amino acids and derivatives","snRNP Assembly","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","
M Phase","Cellular response to hypoxia","Toll-like Receptor Cascades","Leishmania infection","Branched-chain amino acid catabolism","Activation of NMDA receptors and postsynaptic events","Biosynthesis
 of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and 
survival","Post NMDA receptor activation events","Biosynthesis of maresins","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leishmania parasite in
fection","Long-term potentiation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","MAP kinase 
activation","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation","Ras activation upon Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear e
vents mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{GRIN1}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{CYCLOSERIN,D-cycloserine,Dcycloserine,cycloserine,68-41-7,68417,Seromycin,orientomycin,Oxamycin,Cyclo-D-serine,CycloDserine,Cyclorin,D-4-amino-3-isoxazolidinone,D4amino3isoxazolidinone,Cicloserina,Fa
rmiserina,Miroseryn,Tisomycin,Wasserina,Closina,D-4-amino-3-isoxazolidone,D4amino3isoxazolidone,alpha-Cycloserine,alphaCycloserine,(+)-4-Amino-3-iso,(+)4Amino3iso,T0710,T1589,SAM002264599,SAM001247014
,1500215,Prestw-1089,L-Cycloserine,D-Cycloserine,CPD000058313,CYCLOSERINE,(S)-(-)-Cycloserine}

> <pdid>
PD000159

> <targets>
{}

> <classes>
{"antibacterial (tuberculostatic)"}

> <pubchem_cids>
{6234,51670069}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    3.8978   -2.2504    0.0000 N   0  0
    2.5988   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -6.2524    0.2436    0.0000 N   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 N   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
   -2.6047    7.4994    0.0000 C   0  0
   -2.6053    8.9994    0.0000 N   0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
  9 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12138

> <plate>
PLATE 015

> <well>
G8

> <supplier_cmpd_name>
Letrozole

> <ctcr_id>
4575

> <supplier_cmpd_id>
T1590

> <smiles>
N#Cc1ccc(cc1)C(n2cncn2)c3ccc(cc3)C#N

> <pd_targets>
{CYP19A1,TSHR,CYP2C19,CYP3A4,CYP11B2,CYP11B1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Cytochrome P450","Family A G protein-coupled receptor","Cytochrome P450 family 19","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Cytochrome P450 family 3"
,"Cytochrome P450 family 11","Cytochrome P450 family 19A","Glycohormone receptor","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 11B","Cytochrome P450 19A1","Cytochrom
e P450 2C19","Cytochrome P450 3A4","Cytochrome P450 11B2","Cytochrome P450 11B1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","CYP3 family"}

> <pathway_reactome>
{Metabolism,Disease,"Biological oxidations","Infectious disease","Metabolism of lipids","Phase I - Functionalization of compounds","Leishmania infection","Biosynthesis of specialized proresolving medi
ators (SPMs)","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Endogenous sterols","Anti-inflammatory response favouring Lei
shmania parasite infection",Xenobiotics,"Biosynthesis of maresins","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{CYP19A1}

> <broad_moa>
{"aromatase inhibitor"}

> <synonyms>
{112809-51-5,112809515,Femara,"4,4'-((1h-1,2,4-triazol-1-yl)methylene)dibenzonitrile","4,4'((1h1,2,4triazol1yl)methylene)dibenzonitrile",Letrozol,"CGS 20267",CGS-20267,CGS20267,"4-((4-cyanophenyl)-(1,
2,4-triazol-1-yl)methyl)benzonitrile","4((4cyanophenyl)(1,2,4triazol1yl)methyl)benzonitrile",LETRAZOLE,Femera,Benzonitrile,4,4'-(1H-1,4'(1H1,2,4-triazol-1-ylmethyl,4triazol1ylmethyl,T1590,719345,SAM00
1246649,Prestw-1025,"NSC 719345",Letrozole,CPD000466343}

> <pdid>
PD001661

> <targets>
{Aromatase,Autophagy}

> <classes>
{Non-steroidal aromatase inhibitor,Autophagy,Others}

> <pubchem_cids>
{3902}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  1  0            999 V2000
    5.1996   -1.4928    0.0000 Br  0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0  1  0  0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 C   0  0  2  0  0  0
    1.6261    6.5033    0.0000 O   0  0
   -0.7537    5.2860    0.0000 C   0  0  1  0  0  0
   -1.6337    6.4985    0.0000 C   0  0
   -1.0238    7.8689    0.0000 O   0  0
   -1.2149    3.8587    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10  4  1  0
 10 11  2  0
 12  6  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  1  6
 17 18  1  0
 16 19  1  0
 19 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12139

> <plate>
PLATE 015

> <well>
G9

> <supplier_cmpd_name>
Uridine

> <ctcr_id>
11045

> <supplier_cmpd_id>
T2221

> <smiles>
Br/C=C/c1cn(c(=O)[nH]c1=O)[C@H]1C[C@H](O)[C@@H](CO)O1

> <pd_targets>
{TK,PMP22,BLM,NPSR1,TK1,UL23,TK2,DNAPOL}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor",Transferase,"Family A G protein-coupled receptor",Protease,"Peptide receptor (family A GPCR)","Cysteine protease","Short peptide receptor (family A G
PCR)","Cysteine protease CA clan","Neuropeptide receptor","Cysteine protease C1A family"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Neuropeptide S receptor"}

> <pathway_reactome>
{"Developmental Biology","DNA Repair",Disease,"Cell Cycle",Metabolism,"Nervous system development","DNA Double-Strand Break Repair","Infectious disease",Mitotic,"Metabolism of nucleotides","EGR2 and S
OX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Leishmania infection","Mitotic G1 phase and G1/S transition","Nucleotide salvage","HDR through Homologous Recombinatio
n (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","G1/S Transition","Pyrimidine salvage","HDR through Homologous Recombination (HRR)","Anti-inflammatory response favo
uring Leishmania parasite infection","G1/S-Specific Transcription","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Presynaptic phase of homologo
us DNA pairing and strand exchange"}

> <broad_targets>
{}

> <broad_moa>
{"DNA directed DNA polymerase inhibitor"}

> <synonyms>
{Brivudine,69304-47-8,69304478,BVDU,(E)-5-(2-Bromovinyl)-2'-deoxyuridine,(E)5(2Bromovinyl)2'deoxyuridine,Helpin,Brivudin,Bromovinyldeoxyuridine,Zostex,"Brivudine (INN)",5-BROMOVINYLDEOXYURIDINE,5BROMO
VINYLDEOXYURIDINE,(E)-5-(2-Bromovinyl)-deoxyuridine,(E)5(2Bromovinyl)deoxyuridine,UNII-2M3055079H,UNII2M3055079H,MFCD00058585,Uridine,5-((1E)-2-bromoethen,5((1E)2bromoethen,T0718}

> <pdid>
PD000103

> <targets>
{HSV-1,VZV,Endogenous Metabolite}

> <classes>
{Microbiology&Virology,Metabolic Enzyme/Protease}

> <pubchem_cids>
{446727}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1979    1.4986    0.0000 C   0  0  2  0  0  0
   -6.4957    0.7465    0.0000 C   0  0
   -5.2009    2.9995    0.0000 C   0  0
   -3.9031    3.7516    0.0000 O   0  0
   -6.5009    3.7477    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  6  1  0
 11 12  2  0
 12  3  1  0
  8 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 15 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12140

> <plate>
PLATE 015

> <well>
G10

> <supplier_cmpd_name>
Naproxen

> <ctcr_id>
4878

> <supplier_cmpd_id>
T1582

> <smiles>
COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O

> <pd_targets>
{MAPT,LMNA,TSHR,LEF,PTGS2,PTGS1,PTGDS,AKR1C2,CYP1A2,ALOX5,AKR1C3,LIPE,SLC22A6,AMPC,RAB7A,CDC42,RAB2A,RAC1}

> <pathway_gtopdb>
{"Other cytosolic protein","Other nuclear protein","Membrane receptor",Enzyme,Transporter,"Family A G protein-coupled receptor",Protease,Oxidoreductase,Isomerase,"Cytochrome P450",Hydrolase,"Electroch
emical transporter","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 1","SLC superfamily of solute carriers","Glycohormone receptor","Metallo protease MAE clan","Cytochrom
e P450 family 1A","SLC22 family of organic cation and anion transporters","Metallo protease M34 family","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Eicosanoid turnover","Cytochrome P450",Hydrolases,"SLC superfamily of solute carriers","Glycoprotein hormone receptors",Cyclooxygenase,"P
rostaglandin synthases","CYP1 family",Lipoxygenases,"SLC22 family of organic cation and anion transporters","Organic anion transporters (OATs)"}

> <pathway_reactome>
{"Neuronal System","Cell Cycle",Disease,Metabolism,"Transport of small molecules","Transmission across Chemical Synapses",Mitotic,"Infectious disease","Metabolism of lipids","Biological oxidations","S
LC-mediated transmembrane transport","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Leishmania infection","Uptake and actions of bacterial toxins","Biosynthesis of specia
lized proresolving mediators (SPMs)","Fatty acid metabolism","Metabolism of steroids","Phase I - Functionalization of compounds","Triglyceride metabolism","Transport of bile salts and organic acids","
metal ions and amine compounds","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Uptake and function of anthrax toxins
","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Bile acid and bile salt metabolism","Cytochrome P450 - arranged by substrate type","Triglyceride catabolism","Organic cation/anion/z
witterion transport","Post NMDA receptor activation events","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostagl
andins (PG) and Thromboxanes (TX)","Synthesis of bile acids and bile salts",Xenobiotics,"Organic anion transport","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","ADORA2B 
mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of 
DPAn-3-derived 13-series resolvins","Initiation of Nuclear Envelope (NE) Reformation","Developmental Biology","Nervous system development","Infection with Mycobacterium tuberculosis","Axon guidance","
Response of Mtb to phagocytosis","Parasite infection","Mitotic Prophase","Semaphorin interactions","Suppression of phagosomal maturation","Leishmania phagocytosis","Golgi Cisternae Pericentriolar Stac
k Reorganization","Sema4D in semaphorin signaling","Prevention of phagosomal-lysosomal fusion","FCGR3A-mediated phagocytosis","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{NAPROXEN,22204-53-1,22204531,(S)-Naproxen,(S)Naproxen,(+)-Naproxen,(+)Naproxen,Naprosyn,Equiproxen,Naproxene,Aleve,(S)-(+)-Naproxen,(S)(+)Naproxen,"(S)-(+)-2-(6-Methoxy-2-naphthyl)propionic acid","(S
)(+)2(6Methoxy2naphthyl)propionic acid",Laraflex,"(S)-2-(6-methoxynaphthalen-2-yl)propanoic acid","(S)2(6methoxynaphthalen2yl)propanoic acid",d-Naproxen,dNaproxen,Naproxenum,Calosen,Naprosy,T1582,T085
5,1500425,Naproxen,(R)-Naproxen,NAPROXEN(+)}

> <pdid>
PD001844

> <targets>
{}

> <classes>
{analgesic,antiinflammatory,antipyretic}

> <pubchem_cids>
{156391}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  1  0            999 V2000
    8.4865   -2.2179    0.0000 Cl  0  5
   -0.7146   -7.4363    0.0000 O   0  0
    0.6566   -6.8281    0.0000 C   0  0
    0.8163   -5.3384    0.0000 C   0  0  1  0  0  0
   -0.2984   -4.3347    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0  2  0  0  0
    1.8032   -3.1233    0.0000 C   0  0  1  0  0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    2.1153   -4.5884    0.0000 C   0  0  2  0  0  0
    3.4858   -5.1982    0.0000 O   0  0
    5.9865   -2.2179    0.0000 H   0  3
  2  3  1  0
  4  3  1  1
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15  6  1  0
 15  9  1  0
  7 16  1  0
 16  4  1  0
 16 17  1  6
M  CHG  2   1  -1  18   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12141

> <plate>
PLATE 015

> <well>
G11

> <supplier_cmpd_name>
Cyclocytidine hydrochloride

> <ctcr_id>
7156

> <supplier_cmpd_id>
T1591

> <smiles>
[Cl-].OC[C@H]1O[C@@H]2[C@@H](OC3=NC(=N)C=CN23)[C@@H]1O.[H+]

> <pd_targets>
{LMNA,KMT2A,SKA,MTOR}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator",Enzyme,Reader,Kinase,Bromodomain,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP su
bfamily"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","2.1.1.43 Histone methyltransferases (HMTs)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","M Phase","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX
1","Transcriptional Regulation by TP53","Mitotic Anaphase","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Regulation of TP53 Activity","Nuclear Envelope (NE) 
Reassembly","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA synthesis inhibitor","RNA synthesis inhibitor"}

> <synonyms>
{"Cyclocytidine hydrochloride",Cyclocytidine,10212-25-6,10212256,"ANCITABINE HYDROCHLORIDE","ancitabine HCl","2,2'-O-Cyclocytidine hydrochloride","2,2'OCyclocytidine hydrochloride","OCTD hydrochloride
","Ancitabin hydrochlorid","Cyclo-cmp hydrochloride","Cyclocmp hydrochloride","Ancitabine (hydrochloride)",S1973,"Cyclocytidine HCl"}

> <pdid>
PD010430

> <targets>
{Others,Autophagy,CMV}

> <classes>
{Anti-infection,Autophagy}

> <pubchem_cids>
{25050,24820136,74764394}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
   -1.8114   -5.1333    0.0000 C   0  0
   -2.2130   -3.6880    0.0000 C   0  0
   -3.6655   -3.3136    0.0000 O   0  0
   -1.1612   -2.6174    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 Cl  0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.7499   -4.3804    0.0000 C   0  0
   -0.2673   -5.4828    0.0000 C   0  0
    2.2131   -4.7105    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 13  1  0
 19 20  1  6
 19 21  1  0
 21  9  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24  5  1  0
 24  8  1  0
 24 25  1  6
  5 26  1  0
 26 27  1  0
 26 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12142

> <plate>
PLATE 015

> <well>
H2

> <supplier_cmpd_name>
Chlormadinone acetate

> <ctcr_id>
2479

> <supplier_cmpd_id>
T1596

> <smiles>
CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O

> <pd_targets>
{HIF1A,TGR,FTL,NPSR1,PGR,AR,THRB,ALD,ALDH1A1,MAPK1,NR3C1,CYP2C19}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein","Membrane receptor","Family A G protein-coupled receptor","Nuclear receptor",Protease,Oxidoreductase,Kinase,"Cytochrome P450","Peptide receptor (f
amily A GPCR)","Nuclear hormone receptor subfamily 3","Cysteine protease","Nuclear hormone receptor subfamily 1","Protein Kinase","Cytochrome P450 family 2","Short peptide receptor (family A GPCR)","N
uclear hormone receptor subfamily 3 group C","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group A","CMGC protein kinase group","Cytochrome P450 family 2C","Neuropeptide receptor",
"Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group A member 2","
CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 3 group C member 1","Cytochrome P450 2C19","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Neuropeptide S receptor","Steroid hormone receptors","1A. Thyroid hormone recepto
rs","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP2 family: drug metabolising subset","3C. 3-Ketosteroid receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Vesicle-mediated transport",Disease,"Gene expression (Transcription)","Metabolism of proteins",Metabolism,"Immune System","Cellular responses to stress","Mem
brane Trafficking","Infectious disease","RNA Polymerase II Transcription","Post-translational protein modification","Biological oxidations","Innate Immune System","Cellular response to hypoxia","trans
-Golgi Network Vesicle Budding","Leishmania infection","Generic Transcription Pathway",SUMOylation,"Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Oxygen-dependent proline hy
droxylation of Hypoxia-inducible Factor Alpha","Golgi Associated Vesicle Biogenesis","Leishmania parasite growth and survival","Transcriptional regulation by RUNX2","SUMO E3 ligases SUMOylate target p
roteins","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","FOXO-mediated transcription","Cytochrome P450 - arranged by substrate type","Anti-inflammatory response favouring Leishmania parasit
e infection","RUNX2 regulates bone development","SUMOylation of intracellular receptors","MyD88 cascade initiated on plasma membrane","FOXO-mediated transcription of oxidative stress","metabolic and n
euronal genes",Xenobiotics,"ADORA2B mediated anti-inflammatory cytokines production","RUNX2 regulates osteoblast differentiation","MAP kinase activation","CYP2E1 reactions","MAPK targets/ Nuclear even
ts mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PGR}

> <broad_moa>
{"5 alpha reductase inhibitor"}

> <synonyms>
{"Chlormadinone (acetate)",Spectrum3_001992,Spectrum3001992,Spectrum3-001992,"Spectrum3 001992",BSPBio_003592,BSPBio003592,BSPBio-003592,"BSPBio 003592",SPECTRUM1505327,SCHEMBL4948575,CHEMBL3039366,KB
io3_003029,KBio3003029,KBio3-003029,"KBio3 003029",NPD5386,BDBM233043,HMS1922D14,HMS2093B19,HMS3374I03,Pharmakon1600-01505327,Pharmakon160001505327,CCG-38997,CCG38997,NSC758967,NSC-758967,NCGC001779,1
505327,"CHLORMADINONE ACETATE"}

> <pdid>
PD000935

> <targets>
{}

> <classes>
{progestin,antiandrogen}

> <pubchem_cids>
{6710779}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 27  0  0  0  0            999 V2000
   11.5113   -4.1283    0.0000 H   0  3
    9.0113   -4.1283    0.0000 Cl  0  5
   -0.0237   -4.5183    0.0000 C   0  0
    1.2747   -3.7673    0.0000 C   0  0
    1.2744   -2.2664    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.6015   -3.0012    0.0000 C   0  0
    1.7362   -3.5025    0.0000 O   0  0
    3.9021   -3.7502    0.0000 O   0  0
    3.9048   -5.2510    0.0000 C   0  0
    5.2054   -5.9999    0.0000 C   0  0
    5.2080   -7.5007    0.0000 N   0  0
    6.5087   -8.2497    0.0000 C   0  0
    6.5113   -9.7497    0.0000 C   0  0
    3.9109   -8.2557    0.0000 C   0  0
    3.9153   -9.7557    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7507    0.0000 C   0  0
    5.1977   -1.5013    0.0000 C   0  0
    6.4971   -0.7520    0.0000 C   0  0
    6.4979    0.7480    0.0000 C   0  0
    5.1992    1.4987    0.0000 C   0  0
    3.8998    0.7493    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
  6 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12143

> <plate>
PLATE 015

> <well>
H3

> <supplier_cmpd_name>
Proadifen hydrochloride

> <ctcr_id>
4563

> <supplier_cmpd_id>
T1597

> <smiles>
[H+].[Cl-].CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2

> <pd_targets>
{SIGMAR1,LMNA,NFKB1,CYP2C19,CYP1A2,CYP1A1,CYP2D6,CYP3A4,TSHR,AOX1,NR1I2,CYP2C9,SCN1A,SCN2A,SCN3A,CHRM1,CYP2B1,HSD17B10,KDM4E,KMT2A,MEN1,BLM,NPSR1,PMP22,MTOR}

> <pathway_gtopdb>
{"Membrane receptor","Other nuclear protein","Other cytosolic protein",Enzyme,"Transcription factor","Ion channel","Epigenetic regulator","Unclassified protein","Cytochrome P450","Family A G protein-c
oupled receptor",Oxidoreductase,"Nuclear receptor","Voltage-gated ion channel",Eraser,Reader,Kinase,"Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","Peptide receptor (
family A GPCR)","Nuclear hormone receptor subfamily 1","Voltage-gated sodium channel","Small molecule receptor (family A GPCR)","Lysine demethylase",Bromodomain,"Protein Kinase","Cytochrome P450 famil
y 2C","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group I","Monoamine receptor","Cytochrome P450 f
amily 2B","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 2D6","Cytochrome P450 3A4",
"Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 2C9","Acetylcholine receptor","Cytochrome P450 2B1","Neuropeptide receptor","Atypical protein kinase PIKK family","Atypical pro
tein kinase FRAP subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"Sigma receptors","Cytochrome P450","G protein-coupled receptors","Nuclear hormone receptors","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","CYP2 fami
ly: drug metabolising subset","CYP1 family","CYP3 family","Glycoprotein hormone receptors","1I. Vitamin D receptor-like receptors","Acetylcholine receptors (muscarinic)","1.14.11.- Histone demethylase
s","Neuropeptide S receptor",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Cell Cycle","Immune System",Metabolism,"Metabolism of proteins","Signal Transduction","DNA Repair","Developmental Biology","Gene expression (Transcription)","Infectious disease",Mitotic,"Cyt
okine Signaling in Immune system","Biological oxidations","Metabolism of lipids","Metabolism of vitamins and cofactors","Post-translational protein modification","Signaling by GPCR","Metabolism of ami
no acids and derivatives","DNA Double-Strand Break Repair","Nervous system development","RNA Polymerase II Transcription","SARS-CoV Infections","M Phase","Signaling by Interleukins","Phase I - Functio
nalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Metabolism of water-soluble vitamins and cofactors",SUMOylation,"GPCR ligand binding","Bran
ched-chain amino acid catabolism","Homology Directed Repair","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Generic Transcription Pathway","Potential therapeutics for SARS","Mitotic
 Metaphase and Anaphase","Interleukin-1 family signaling","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Vitamins B6 activ
ation to pyridoxal phosphate","SUMO E3 ligases SUMOylate target proteins","Class A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcri
ptional Regulation by TP53","Mitotic Anaphase","Interleukin-1 signaling",Xenobiotics,"Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","SUMOylation of int
racellular receptors","Amine ligand-binding receptors","HDR through Homologous Recombination (HRR)","Regulation of TP53 Activity","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 ac
tivation","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Muscarini
c acetylcholine receptors","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologo
us DNA pairing and strand exchange","Regulation of TP53 Degradation"}

> <broad_targets>
{NOS1}

> <broad_moa>
{"nitric oxide synthase inhibitor"}

> <synonyms>
{"Proadifen hydrochloride",62-68-0,62680,"Proadifen HCl","Proadifen (hydrochloride)",Propyladiphenin,"SKF-525A hydrochloride","SKF525A hydrochloride","SK&F 525-A","SK&F 525A","SKF 525A","RP 5171","Pro
adifen hydrochloride (USAN)",UNII-30624AA6X2,UNII30624AA6X2,"U 5446",2-Diethylaminoeth,2Diethylaminoeth,T1597,1502084,Prestw-778,"PROADIFEN HYDROCHLORIDE"}

> <pdid>
PD013312

> <targets>
{}

> <classes>
{"cytochrome P450 inhibitor","Ca antagonist"}

> <pubchem_cids>
{44371617,65341,74764380}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    6.7790   -0.3307    0.0000 H   0  3
    4.2790   -0.3307    0.0000 Cl  0  5
    0.7521   -2.0142    0.0000 C   0  0
   -0.6522   -1.4871    0.0000 C   0  0
   -1.8106   -2.4400    0.0000 N   0  0
   -0.8987    0.0000    0.0000 C   0  0
   -2.0541   -1.3755    0.0000 C   0  0
   -0.6052   -0.9721    0.0000 C   0  0
   -0.6052    0.5686    0.0000 C   0  0
    0.4035    1.7790    0.0000 C   0  0
    1.7790    1.2105    0.0000 C   0  0
    1.7607   -0.2751    0.0000 C   0  0
    0.7703   -1.5223    0.0000 C   0  0
    0.3852   -0.6052    0.0000 C   0  0
   -0.8987    1.3205    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 12 14  1  0
 14  6  1  0
 10 15  1  0
 15  6  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12144

> <plate>
PLATE 015

> <well>
H4

> <supplier_cmpd_name>
Rimantadine hydrochloride

> <ctcr_id>
2917

> <supplier_cmpd_id>
T1598

> <smiles>
[H+].[Cl-].CC(N)C12CC3CC(CC(C3)C1)C2

> <pd_targets>
{M,SLC47A1,SLC22A2,PA}

> <pathway_gtopdb>
{"Ion channel",Transporter,"Unclassified protein","Other ion channel","Electrochemical transporter","Miscellaneous ion channel","SLC superfamily of solute carriers","Type A influenza virus matrix-2 ch
annel family","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Organic cation transporters (OC
T)"}

> <pathway_reactome>
{"Transport of small molecules",Disease,"SLC-mediated transmembrane transport","Infectious disease","Transport of bile salts and organic acids","metal ions and amine compounds","Influenza Infection","
Organic cation/anion/zwitterion transport","Export of Viral Ribonucleoproteins from Nucleus","Organic cation transport","NEP/NS2 Interacts with the Cellular Export Machinery"}

> <broad_targets>
{}

> <broad_moa>
{antiviral,"RNA synthesis inhibitor"}

> <synonyms>
{SCHEMBL14973619,AKOS026750151,AKOS016034989,"Rimantadine hydrochloride",1501-84-4,1501844,"1501 84 4",Flumadine,"Rimantadine HCL",Meradane,"1-(1-ADAMANTYL)ETHYLAMINE HYDROCHLORIDE","1(1ADAMANTYL)ETHY
LAMINE HYDROCHLORIDE","1 (1 ADAMANTYL)ETHYL",SAM002264596,1505460,CPD000436311,"RIMANTADINE HYDROCHLORIDE"}

> <pdid>
PD007704

> <targets>
{}

> <classes>
{antiviral}

> <pubchem_cids>
{71773501,44662334,15165}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 Cl  0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1959   -3.0115    0.0000 N   0  0
    6.4926   -3.7656    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12145

> <plate>
PLATE 015

> <well>
H5

> <supplier_cmpd_name>
Lomustine

> <ctcr_id>
1274

> <supplier_cmpd_id>
T1601

> <smiles>
ClCCN(N=O)C(=O)NC1CCCCC1

> <pd_targets>
{STMN4}

> <pathway_gtopdb>
{}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS005766022,Tox21_112470_1,Tox211124701,Tox21-112470-1,"Tox21 112470 1",lomustine,13010-47-4,13010474,1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea,1(2Chloroethyl)3cyclohexyl1nitrosourea,Belustine,C
CNU,CeeNU,Cecenu,CINU,Chloroethylcyclohexylnitrosourea,"Urea, N-(2-chloroethyl)-N'-cyclohexyl-N-nitroso-","Urea, N(2chloroethyl)N'cyclohexylNnitroso",Lomustina,Lomustinum,Lomustinu,T1601,79037,"NSC 79
037",Lomustine}

> <pdid>
PD001312

> <targets>
{Apoptosis,Autophagy,DNA Alkylator/Crosslinker}

> <classes>
{Alkylating agent,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{3950}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11  9  0  0  0  0            999 V2000
   10.2999    1.5017    0.0000 Na  0  3
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 C   0  0
    3.9031    2.2508    0.0000 C   0  0
    2.6053    3.0031    0.0000 O   0  5
    5.2032    2.9990    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
M  CHG  2   1   1  10  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12146

> <plate>
PLATE 015

> <well>
H6

> <supplier_cmpd_name>
Valproic acid sodium salt

> <ctcr_id>
3725

> <supplier_cmpd_id>
T1602

> <smiles>
[Na+].CCCC(CCC)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sodium valproate","Sodium 2-propylpentanoate","Sodium 2propylpentanoate",1069-66-5,1069665,"Valproate sodium","Valproic acid sodium salt","Valproic acid sodium",Epilim,"Valproic Acid (sodium salt)",
"Pentanoic acid, 2-propyl-, sodium salt","Pentanoic acid, 2propyl, sodium salt","Sodium 2-propylvalerate","Sodium 2propylvalerate",2-Pr,2Pr,T1602,1500606,"VALPROATE SODIUM"}

> <pdid>

> <targets>
{}

> <classes>
{anticonvulsant}

> <pubchem_cids>
{16760703}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  -11.6983    3.7390    0.0000 S   0  0
  -11.6978    5.2390    0.0000 O   0  0
  -12.9970    4.4896    0.0000 O   0  0
  -12.9985    2.9894    0.0000 N   0  0
  -14.2982    3.7398    0.0000 C   0  0
  -14.2978    5.2398    0.0000 O   0  0
  -15.5984    2.9902    0.0000 N   0  0
  -16.8982    3.7405    0.0000 C   0  0
  -18.1988    2.9932    0.0000 C   0  0
  -19.4964    3.7458    0.0000 C   0  0
  -19.4934    5.2458    0.0000 C   0  0
  -18.1928    5.9932    0.0000 C   0  0
  -16.8953    5.2406    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12147

> <plate>
PLATE 015

> <well>
H7

> <supplier_cmpd_name>
Glipizide

> <ctcr_id>
1879

> <supplier_cmpd_id>
T1603

> <smiles>
Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCCC3

> <pd_targets>
{CYP3A4,MAPT,BLM,CYP2C9,NFKB1,TSHR,LMNA,AMPC,ABCC8,KCNJ11,PPARG}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Membrane receptor","Other nuclear protein","Ion channel",Transporter,"Transcription factor","Cytochrome P450","Family A G protein-coupled receptor",Hydrolase,"Voltag
e-gated ion channel","Primary active transporter","Nuclear receptor","Cytochrome P450 family 3","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Potassium channels","ATP-binding cassette
","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Glycohormone receptor","Inwardly rectifying potassium channel","ABCC subfamily","Nuclear hormone recep
tor subfamily 1 group C","Cytochrome P450 3A4","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group C member 3"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","G protein-coupled receptors","ATP-binding cassette transporter family","Nuclear hormone receptors","CYP3 family","CYP2 family: drug metabolising subs
et","Glycoprotein hormone receptors","ABCC subfamily","1C. Peroxisome proliferator-activated receptors"}

> <pathway_reactome>
{Metabolism,"Neuronal System","DNA Repair","Immune System",Disease,"Cell Cycle","Gene expression (Transcription)","Metabolism of lipids","Transmission across Chemical Synapses","DNA Double-Strand Brea
k Repair","Biological oxidations","Cytokine Signaling in Immune system","Infectious disease",Mitotic,"Disorders of transmembrane transporters","RNA Polymerase II Transcription","Biosynthesis of specia
lized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Homology Directed Repair","Phase I - Functionalization of compounds","Signaling by Interleukins"
,"Leishmania infection","M Phase","ABC transporter disorders","Generic Transcription Pathway","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","HDR through Hom
ologous Recombination (HRR) or Single Strand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","Interleukin-1 family signaling","Leishmania parasite growth and survival","Mitotic Metapha
se and Anaphase","Defective ABCC8 can cause hypo- and hyper-glycemias","Transcriptional Regulation by MECP2","Biosynthesis of maresins","Post NMDA receptor activation events","HDR through Homologous R
ecombination (HRR)",Xenobiotics,"Interleukin-1 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","MECP2 regulates transcription factors","Biosynthesis 
of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","CYP2E1 reactions","MAP3K8 (TPL2)-dependent MAPK1/3 activation","ADORA2B mediated anti-infl
ammatory cytokines production","Nuclear Envelope (NE) Reassembly","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ABCC8,KCNJ10,KCNJ11,PPARG}

> <broad_moa>
{sulfonylurea}

> <synonyms>
{909461,glipizide,29094-61-9,29094619,Glucotrol,Glydiazinamide,Melizide,Glibenese,Glucozide,Glupizide,Sucrazide,Dipazide,Glupitel,Mindiab,Minidiab,Minodiab,Napizide,Ozidia,"Glucotrol XL",Glibetin,Gluc
olip,Aldiab,Digrin,Glican,Glidiab,Glipid,Minidab,Glyde,Gluco-,Gluco,T1603,SAM002564210,Prestw-131,Glipizide,CPD000058455}

> <pdid>
PD000414

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3478}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  5  4  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.8993    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12148

> <plate>
PLATE 015

> <well>
H8

> <supplier_cmpd_name>
Acetohydroxamic acid

> <ctcr_id>
1297

> <supplier_cmpd_id>
T1592

> <smiles>
CC(=O)NO

> <pd_targets>
{UREA,UREB,CA2,UREC,KDM4E,MMP12}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Hydrolase,Lyase,Eraser,Protease,"Lysine demethylase","Metallo protease","Jumonji domain-containing","Metallo protease MAM clan","Metallo protease M10A subfamily"}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases","Chromatin modifying enzymes","Peptidases and proteinases","1.14.11.- Histone demethylases","MA: Metallo (M) Peptidases","M10: Matrix metallopeptidase"}

> <pathway_reactome>
{"Transport of small molecules","Extracellular matrix organization","O2/CO2 exchange in erythrocytes","Degradation of the extracellular matrix","Erythrocytes take up carbon dioxide and release oxygen"
,"Collagen degradation"}

> <broad_targets>
{MMP12}

> <broad_moa>
{"urease inhibitor"}

> <synonyms>
{N-Hydroxyacetamide,NHydroxyacetamide,546-88-3,546883,Lithostat,"Acetylhydroxamic acid","Methylhydroxamic acid","Acetic acid, oxime","Acetohydroximic acid",N-Acetylhydroxylamine,NAcetylhydroxylamine,"
Acetamide, N-hydroxy-","Acetamide, Nhydroxy",Acethydroxamsaeure,cetohyroxamic,T1592,1500103,"Acetohydroxamic acid","ACETOHYDROXAMIC ACID"}

> <pdid>
PD002490

> <targets>
{Bacterial}

> <classes>
{antbacterial,antiurolithic,urease inhibitor,Anti-infection}

> <pubchem_cids>
{1990}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    8.2751   -4.8006    0.0000 O   0  0
    6.9736   -5.5462    0.0000 C   0  0  1  0  0  0
    5.6766   -4.7910    0.0000 C   0  0
    5.6812   -3.2902    0.0000 C   0  0
    4.3895   -2.5380    0.0000 C   0  0  2  0  0  0
    4.0035   -1.0885    0.0000 C   0  0  2  0  0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.9400   -2.9240    0.0000 C   0  0
    2.1718   -4.2123    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.7397    0.2193    0.0000 C   0  0
    4.2416    1.6213    0.0000 C   0  0
    5.2155    2.7621    0.0000 C   0  0
    6.6905    2.4891    0.0000 C   0  0
    7.6644    3.6300    0.0000 O   0  0
    7.1915    1.0753    0.0000 C   0  0
    6.2177   -0.0656    0.0000 C   0  0
    6.9690   -7.0470    0.0000 C   0  0
    5.6687   -7.7950    0.0000 C   0  0
    5.6662   -9.2949    0.0000 C   0  0
    6.9639  -10.0471    0.0000 C   0  0
    6.9614  -11.5471    0.0000 F   0  0
    8.2642   -9.2993    0.0000 C   0  0
    8.2668   -7.7993    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  5  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  6 17  1  6
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
  2 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12149

> <plate>
PLATE 015

> <well>
H9

> <supplier_cmpd_name>
Ezetimibe

> <ctcr_id>
4942

> <supplier_cmpd_id>
T1593

> <smiles>
O[C@@H](CC[C@@H]1[C@H](N(C1=O)c2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4

> <pd_targets>
{NPSR1,RORC,NPC1L1,ABCB11,SOAT1,ANPEP,LMNA,CYP3A4}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor","Other membrane protein",Transporter,Enzyme,"Other nuclear protein","Family A G protein-coupled receptor","Nuclear receptor","Primary active transporter",Tr
ansferase,Protease,"Cytochrome P450","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","ATP-binding cassette","Metallo protease","Cytochrome P450 family 3","Short peptide recep
tor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","ABCB subfamily","Metallo protease MAE clan","Cytochrome P450 family 3A","Neuropeptide receptor","Nuclear hormone receptor subfamily
 1 group F member 3","Metallo protease M1 family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"G protein-coupled receptors","Nuclear hormone receptors","SLC superfamily of solute carriers","ATP-binding cassette transporter family","Peptidases and proteinases","C
ytochrome P450","Neuropeptide S receptor","1F. Retinoic acid-related orphans","SLC65 NPC-type cholesterol transporters","ABCB subfamily","MA: Metallo (M) Peptidases","CYP3 family","M1: Aminopeptidase 
N"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Digestion and absorption",Metabolism,"Transport of small molecules","Immune System","Cell Cycle","Infectious disease","RNA Polymerase II Transcription","Int
estinal absorption","Metabolism of lipids","Plasma lipoprotein assembly",remodeling,"and clearance","Innate Immune System",Mitotic,"Leishmania infection","Generic Transcription Pathway","Intestinal li
pid absorption","Metabolism of steroids","Plasma lipoprotein clearance","Neutrophil degranulation","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania parasite growth and
 survival","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","LDL clearance","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Anti-inflammatory response fa
vouring Leishmania parasite infection","RUNX3 Regulates Immune Response and Cell Migration","Synthesis of bile acids and bile salts","Mitotic Anaphase","Biosynthesis of maresins","ADORA2B mediated ant
i-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Initiation of Nuclea
r Envelope (NE) Reformation"}

> <broad_targets>
{ANPEP,NPC1L1,SOAT1}

> <broad_moa>
{"cholesterol inhibitor","Niemann-Pick C1-like 1 protein antagonist"}

> <synonyms>
{Ezetimibe,163222-33-1,163222331,Zetia,Ezetrol,Ezedoc,"Sch 58235",SCH-58235,SCH58235,UNII-EOR26LQQ24,UNIIEOR26LQQ24,"Ezetimibe (Zetia)",EOR26LQQ24,CHEBI:49040,DSSTox_CID_24223,DSSToxCID24223,DSSTox-CI
D-24223,"DSSTox CID 24223",DSSTox_RID_80127,DSSToxRID80127,DSSTox-RID-80127,"DSSTox RID 80127",DSSTox_GSID_44223,DSSToxGSID44223,DSSTox-GSID-44223,"DSSTox GSID 44223",Zient,"(-)-Sch 58235","()Sch 5823
5",SMR000466334,CAS-163222-33-1,CAS163222331,SAM001246623,CPD000466334}

> <pdid>
PD000569

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{150311}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 23  0  0  0  0            999 V2000
    0.3640   -4.1274    0.0000 C   0  0
    1.2990   -2.9545    0.0000 C   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 C   0  0
    3.1695   -0.6090    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    2.5248    2.0135    0.0000 C   0  0
    3.9474    2.0941    0.0000 C   0  0
    3.0853    3.3217    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 N   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1476   -0.7184    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  8  1  0
  7 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20  2  1  0
 20  6  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12150

> <plate>
PLATE 015

> <well>
H10

> <supplier_cmpd_name>
Nevirapine

> <ctcr_id>
1212

> <supplier_cmpd_id>
T1595

> <smiles>
Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12

> <pd_targets>
{"REVERSE TRANSCRIPTASE",POL,MAPK1,GAG-POL,ALDH1A1,POLB,LMNA}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other nuclear protein",Hydrolase,Kinase,Protease,Transferase,Oxidoreductase,"Protein Kinase","Aspartic protease","CMGC protein kinase group","Aspartic protease AA clan"
,"CMGC protein kinase MAPK family","Aspartic protease A2A subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Immune System",Disease,Metabolism,"DNA Repair","Cell Cycle","Innate Immune System","Infectious disease","Biological oxidations","Base Excision Repair",Mitotic,"Toll-like Receptor Cascades","HIV Infe
ction","Phase I - Functionalization of compounds","Resolution of Abasic Sites (AP sites)","M Phase","Toll Like Receptor 5 (TLR5) Cascade","HIV Life Cycle","Ethanol oxidation","Resolution of AP sites v
ia the multiple-nucleotide patch replacement pathway","Mitotic Metaphase and Anaphase","MyD88 cascade initiated on plasma membrane","Early Phase of HIV Life Cycle","PCNA-Dependent Long Patch Base Exci
sion Repair","Mitotic Anaphase","MAP kinase activation","Integration of provirus","Nuclear Envelope (NE) Reassembly","MAPK targets/ Nuclear events mediated by MAP kinases","2-LTR circle formation","In
itiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CYP1A2,CYP2A6,CYP2B6,CYP2C9,CYP2D6,CYP3A4,CYP3A5}

> <broad_moa>
{"non-nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{nevirapine,129618-40-2,129618402,Viramune,BI-RG-587,BIRG587,"Nevirapine anhydrous","BIRG 0587","Viramune XR",NVP,UNII-99DK7FVK1H,UNII99DK7FVK1H,"Nevirapine (Viramune)",BIRG-0587,BIRG0587,CHEMBL57,"11
-CYCLOPROPYL-4-METHYL-5H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-6(11H)-ONE","11CYCLOPROPYL4METHYL5HDIPYRIDO(3,2B:2',3'E)(1,4)DIAZEPIN6(11H)ONE",MFCD00866928,NE,T1595,SAM001246551,Nevirapine,CPD000048458
}

> <pdid>
PD000851

> <targets>
{HIV,Reverse Transcriptase}

> <classes>
{Anti-infection}

> <pubchem_cids>
{4463}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 I   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 O   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -5.1851   -3.0091    0.0000 I   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 I   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
  9 19  1  0
 19 20  1  0
 19 21  2  0
 21  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12151

> <plate>
PLATE 015

> <well>
H11

> <supplier_cmpd_name>
Tiratricol

> <ctcr_id>
4909

> <supplier_cmpd_id>
T1604

> <smiles>
OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1

> <pd_targets>
{THRB,THRA,LMNA,HIF1A,PCNA,HSD17B10,CYP2C9,HPGD,POLB,CYP1A2,SMN1,SLCO1C1,SLC10A1,AR}

> <pathway_gtopdb>
{"Transcription factor","Other nuclear protein",Enzyme,"Epigenetic regulator",Transporter,"Nuclear receptor",Oxidoreductase,"Cytochrome P450",Reader,"Electrochemical transporter","Nuclear hormone rece
ptor subfamily 1","Cytochrome P450 family 2","Cytochrome P450 family 1","Methyl-lysine/arginine binding protein","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 3","Nuclear ho
rmone receptor subfamily 1 group A","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Tudor domain","SLC21/SLCO family of organic anion transporting polypeptides","SLC10 family of sodium-bile a
cid co-transporters","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group A member 2","Nuclear hormone receptor subfamily 1 group A member 1","Cytochrome P450 2C9
","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 3 group C member 4"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Cytochrome P450","Eicosanoid turnover","SLC superfamily of solute carriers","1A. Thyroid hormone receptors","CYP2 family: drug metabolising
 subset","Prostaglandin synthases","CYP1 family","SLCO family of organic anion transporting polypeptides","SLC10 family of sodium-bile acid co-transporters","Steroid hormone receptors","3C. 3-Ketoster
oid receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Cell Cycle","Cellular responses to external stimuli",Metabolism,"DNA Repair","Metabolism of RNA","Transport of small molecules","Gene expression (Transcription)","Post-trans
lational protein modification",Mitotic,"Cellular responses to stress","Chromosome Maintenance","Metabolism of amino acids and derivatives","Biological oxidations","Metabolism of lipids","Base Excision
 Repair","Metabolism of non-coding RNA","SLC-mediated transmembrane transport","RNA Polymerase II Transcription",SUMOylation,"M Phase","Cellular response to hypoxia","Telomere Maintenance","Branched-c
hain amino acid catabolism","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Resolution of Abasic Sites (AP sites)","snRNP Assembly","Transport o
f vitamins",nucleosides,"and related molecules","Metabolism of steroids","Generic Transcription Pathway","SUMO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaphase","Oxygen-dependent 
proline hydroxylation of Hypoxia-inducible Factor Alpha","Extension of Telomeres","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Resolution of AP sites via the mult
iple-nucleotide patch replacement pathway","Transport of organic anions","Bile acid and bile salt metabolism","Transcriptional regulation by RUNX2","SUMOylation of intracellular receptors","Mitotic An
aphase","Telomere C-strand (Lagging Strand) Synthesis",Xenobiotics,"Biosynthesis of D-series resolvins","PCNA-Dependent Long Patch Base Excision Repair","Recycling of bile acids and salts","RUNX2 regu
lates bone development","Nuclear Envelope (NE) Reassembly","Processive synthesis on the C-strand of the telomere","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2",
"RUNX2 regulates osteoblast differentiation","Initiation of Nuclear Envelope (NE) Reformation","Removal of the Flap Intermediate from the C-strand"}

> <broad_targets>
{THRA,THRB}

> <broad_moa>
{"thyroid hormone stimulant"}

> <synonyms>
{Tiratricol,51-24-1,51241,Triac,"3,3',5-TRIIODOTHYROACETIC ACID","3,3',5TRIIODOTHYROACETIC ACID","Triiodothyroacetic acid","2-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)acetic acid","2(4(4hydroxy3i
odophenoxy)3,5diiodophenyl)acetic acid",UNII-29OQ9EU4R1,UNII29OQ9EU4R1,"Tiratricol (INN)","3',3,5-Triiodothyroacetic acid","3',3,5Triiodothyroacetic acid",CHEMBL41632,29OQ9EU4R1,Triacan,T1604,s4185,Pr
estw-202,"Tiratricol, 3,3',5-triiodothyroacetic acid"}

> <pdid>
PD000215

> <targets>
{Thyroid Hormone Receptor}

> <classes>
{Others}

> <pubchem_cids>
{5803}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -4.0312   -5.2379    0.0000 C   0  0
   -5.4984   -5.5497    0.0000 N   0  0
   -6.2484   -4.2507    0.0000 C   0  0
   -7.7402   -4.0939    0.0000 O   0  0
   -5.2447   -3.1360    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 10  1  0
  7 16  2  0
 16  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12152

> <plate>
PLATE 016

> <well>
A2

> <supplier_cmpd_name>
Metaxalone

> <ctcr_id>
1385

> <supplier_cmpd_id>
T1610

> <smiles>
Cc1cc(C)cc(OCC2CNC(=O)O2)c1

> <pd_targets>
{LMNA}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"muscle relaxant"}

> <synonyms>
{1665-48-1,1665481,"1665 48 1",Skelaxin,Methaxalonum,Zorane,Metaxalon,Methoxolone,"5-((3,5-Dimethylphenoxy)methyl)oxazolidin-2-one","5((3,5Dimethylphenoxy)methyl)oxazolidin2one","5 ((3,5 Dimethylpheno
xy)methyl)oxazolidin 2 one",Metazalone,Metazolone,Metaxolone,AHR-438,AHR438,"AHR 438","2-Oxazolidinone, 5-((3,5-dimethylphenoxy)methyl)-","2Oxazolidinone, 5((3,5dimethylphenoxy)methyl)","2 Oxazolidino
ne, 5 ((3,5 dimethylphenoxy)methyl)","Metaxalonum (Latin)",Metass,T1610,1504229,Metaxalone,METAXALONE}

> <pdid>
PD001220

> <targets>
{Others}

> <classes>
{muscle relaxant (skeletal),Others}

> <pubchem_cids>
{15459}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.6003    1.4978    0.0000 C   0  0
    3.8990    0.7455    0.0000 C   0  0
    5.2003    1.4932    0.0000 C   0  0
    5.2029    2.9932    0.0000 C   0  0
    6.4990    0.7410    0.0000 C   0  0
    6.4978   -0.7598    0.0000 C   0  0
    7.7965   -1.5121    0.0000 C   0  0
    7.7953   -3.0129    0.0000 C   0  0
    6.4955   -3.7615    0.0000 C   0  0
    9.0940   -3.7652    0.0000 C   0  0
   10.3953   -3.0174    0.0000 C   0  0
   10.3979   -1.5174    0.0000 O   0  0
   11.6933   -3.7693    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    1.3164    2.2191    0.0000 C   0  0
   -1.3163    2.2193    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
  3 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12153

> <plate>
PLATE 016

> <well>
A3

> <supplier_cmpd_name>
Isotretinoin

> <ctcr_id>
7116

> <supplier_cmpd_id>
T1611

> <smiles>
CC1=C(/C=C/C(C)=C\C=C\C(C)=C/C(O)=O)C(C)(C)CCC1

> <pd_targets>
{RARB,RARG,PPARD,NR2E1,RARA,RXRA,RXRB,FFP,RXRG,ALDH1A1,TGR,RORC,CYP3A4,CRABP1,RORB,PIN1,S1PR1,CRABP2,GROES,GROL,HIF1A,KDM4E,FTL,MAPT,MAPK1,RORA,TST,DUSP1,GMNN,NR2C2,KMT2A,MEN1,HSPD1,HSPE1,BLM,RECQL,AD
ORA3,HTR2B,IDO2,RARRES1,THRB,ABCB11,MAPK14,PMP22,ADRA2B,MTOR,OR51E2,NR1H2,NR1H3,NR4A1,VKORC1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Auxiliary transport protein","Membrane receptor","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Nuclear receptor",Transferase,Oxidoreductase,"
Cytochrome P450","Fatty acid binding protein family",Isomerase,"Family A G protein-coupled receptor",Eraser,Protease,Kinase,Phosphatase,Reader,"Nuclear hormone receptor subfamily 1","Nuclear hormone r
eceptor subfamily 2","Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Lysine demethylase","Cysteine protease","Protein Kinase","Protein Phosphatase",Bromodomain,"Nuclear hormone r
eceptor subfamily 1 group B","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 2 group E","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subf
amily 1 group F","Cytochrome P450 family 3A","Lipid-like ligand receptor (family A GPCR)","Jumonji domain-containing","Cysteine protease CA clan","CMGC protein kinase group","Serine/threonine/tyrosine
 protein phosphatase","Nuclear hormone receptor subfamily 2 group C","Nucleotide-like receptor (family A GPCR)","Monoamine receptor","Nuclear hormone receptor subfamily 1 group B member 2","Nuclear ho
rmone receptor subfamily 1 group B member 3","Nuclear hormone receptor subfamily 1 group C member 2","Nuclear hormone receptor subfamily 2 group E member 1","Nuclear hormone receptor subfamily 1 group
 B member 1","Nuclear hormone receptor subfamily 2 group B member 1","Nuclear hormone receptor subfamily 2 group B member 2","Nuclear hormone receptor subfamily 2 group B member 3","Nuclear hormone re
ceptor subfamily 1 group F member 3","Cytochrome P450 3A4","EDG receptor","Cysteine protease C1A family","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 1","Nucl
ear hormone receptor subfamily 2 group C member 2","Adenosine receptor","Serotonin receptor","CMGC protein kinase ERK1",Transporter,"Primary active transporter","ATP-binding cassette","Nuclear hormone
 receptor subfamily 1 group A","ABCB subfamily","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group A member 2","Adrenergic receptor","Atypical protein kinase PIKK family","CMG
C protein kinase p38 subfamily","Atypical protein kinase FRAP subfamily","Nuclear hormone receptor subfamily 4","Nuclear hormone receptor subfamily 1 group H","Nuclear hormone receptor subfamily 4 gro
up A","Nuclear hormone receptor subfamily 1 group H member 3","Nuclear hormone receptor subfamily 4 group A member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Cytochrome P450","Fatty acid-binding proteins","Peptidyl-prolyl cis/trans isomerases","G protein-coupled receptors","Chromatin m
odifying enzymes","Kinases (EC 2.7.x.x)","1.13.11.- Dioxygenases","1B. Retinoic acid receptors","1C. Peroxisome proliferator-activated receptors","2E. Tailless-like receptors","2B. Retinoid X receptor
s","1F. Retinoic acid-related orphans","CYP3 family","Lysophospholipid (S1P) receptors","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","2C. Testicular receptors","Ade
nosine receptors","5-Hydroxytryptamine receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily",Transporters,"ATP-binding cassette transporter family","1A. Thyroid hormone receptor
s","ABCB subfamily",Adrenoceptors,Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","p38 subfamily","FRAP subfamily","1.-.-.- Oxidoreductases","1H. Liver X receptor-like recepto
rs","4A. Nerve growth factor IB-like receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Signal Transduction","Metabolism of proteins","Cellular responses to external stimuli","Vesicle-mediated transport","Neuronal System","Immune System","Ce
ll Cycle","DNA Repair","RNA Polymerase II Transcription","The citric acid (TCA) cycle and respiratory electron transport","Intracellular signaling by second messengers","Post-translational protein mod
ification","Metabolism of lipids","Biological oxidations","Signaling by Nuclear Receptors","Signaling by GPCR","Cellular responses to stress","Membrane Trafficking","Transmission across Chemical Synap
ses","Innate Immune System","Metabolism of amino acids and derivatives","MAPK family signaling cascades",Mitotic,"DNA Double-Strand Break Repair","Generic Transcription Pathway","Pyruvate metabolism a
nd Citric Acid (TCA) cycle","PIP3 activates AKT signaling",SUMOylation,"Metabolism of steroids","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","
Signaling by Retinoic Acid","GPCR ligand binding","Cellular response to hypoxia","trans-Golgi Network Vesicle Budding","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Rece
ptor Cascades","Sulfur amino acid metabolism","MAPK1/MAPK3 signaling","Mitotic G1 phase and G1/S transition","Homology Directed Repair","Tryptophan catabolism","Nuclear Receptor transcription pathway"
,"Pyruvate metabolism","PTEN Regulation","SUMO E3 ligases SUMOylate target proteins","Bile acid and bile salt metabolism","Ethanol oxidation","Transcriptional regulation by RUNX3","Biosynthesis of DHA
-derived SPMs","RA biosynthesis pathway","Transcriptional Regulation by TP53","Class A/1 (Rhodopsin-like receptors)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Golgi A
ssociated Vesicle Biogenesis","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","Degradation of cysteine and homocysteine","RAF/MAP kinase cascade","G1/S Tra
nsition","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Regulation of pyruvate dehydrogenase (PDH) complex","Regulation of PTEN gene transcription","SUMOylation of intr
acellular receptors","Synthesis of bile acids and bile salts","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Regulation of TP53 Activity","Lysosphingolipid and LPA re
ceptors","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","Sulfide oxidation to sulfate","Negative regulation of MAPK pathway","Activation of the pre-replicative com
plex","HDR through Homologous Recombination (HRR)","Nucleotide-like (purinergic) receptors","Amine ligand-binding receptors","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Biosynt
hesis of maresin-like SPMs","Regulation of TP53 Activity through Acetylation","Activation of AMPK downstream of NMDARs","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","Adenosine 
P1 receptors","Serotonin receptors","PI5P Regulates TP53 Acetylation","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","ERK/MAPK
 targets","ERKs are inactivated","Developmental Biology","Nervous system development","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR downstream signalling","G alpha (s) signall
ing events","Olfactory Signaling Pathway","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol",Adrenoceptors,"Regulation of TP53 Expression and Degradation","Regulation of TP53 Degra
dation","Activation of the AP-1 family of transcription factors",Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of vitamins and cofactors","PI3K
/AKT Signaling in Cancer","Metabolism of fat-soluble vitamins","Constitutive Signaling by AKT1 E17K in Cancer","Metabolism of vitamin K"}

> <broad_targets>
{ALDH1A1,ALDH1A2,GPRC5A,NR0B1,NR2C2,PPARD,RARA,RARB,RARG,RARRES1,RORB,RORC,RXRB,RXRG}

> <broad_moa>
{"retinoid receptor agonist","retinoid receptor ligand"}

> <synonyms>
{"9,13-Di-cis-retinoic acid","9,13Dicisretinoic acid","9-cis,13-cis-Retinoic acid","9cis,13cisRetinoic acid","9,13-cis-retinoate","9,13cisretinoate","9,13-di-cis-RA","9,13dicisRA",5352-74-9,5352749,"9
,13-Retinoic acid","9,13Retinoic acid",MFCD00079542,dcVA,"9,13-cis-retinoic acid","9,13cisretinoic acid","9-cis,13-cis-retinoate","9cis,13cisretinoate","9,13-cis-vitamin-A-acid","9,13cisvitaminAacid",
SCHEMBL445176,9,13-ci,13ci,S1379,Isotretinoin}

> <pdid>
PD001430

> <targets>
{Hydroxylase,Autophagy,Endogenous Metabolite,RAR/RXR}

> <classes>
{Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{6419708}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 21  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  3
    1.2985    3.7517    0.0000 C   0  0
   -1.2993    3.7504    0.0000 C   0  0
   -0.0007    4.5008    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    8.9943   -0.7535    0.0000 S   0  0
    7.6950   -1.5031    0.0000 O   0  0
    8.9943    0.7465    0.0000 O   0  0
   10.2943   -1.5035    0.0000 O   0  0
   11.5936   -0.7539    0.0000 C   0  0
    7.6954   -0.0033    0.0000 O   0  5
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  3  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 17 18  2  0
 17 19  2  0
 17 20  1  0
 20 21  1  0
 17 22  1  0
M  CHG  2   7   1  22  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12154

> <plate>
PLATE 016

> <well>
A4

> <supplier_cmpd_name>
Hodostin

> <ctcr_id>
11114

> <supplier_cmpd_id>
T1612

> <smiles>
c1(cc(ccc1)[N+](C)(C)C)OC(=O)N(C)C.S(=O)(=O)(OC)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{51-60-5,51605,"51 60 5","NEOSTIGMINE METHYLSULFATE",Normastigmin,Syntostigmin,Hodostin,"Neostigmine (methyl sulfate)",Neostigmeth,Polstigmine,Synstigmine,"Neostigmine metilsulfate","Neostigmine metho
sulfate","Neostigmine monomethyl s",T1612}

> <pdid>

> <targets>
{AChR}

> <classes>
{Neuroscience}

> <pubchem_cids>
{5824}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  1  0            999 V2000
    2.5981    0.0000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0
    3.8971   -3.7500    0.0000 C   0  0
    4.2297   -5.2071    0.0000 C   0  0
    5.7224   -5.3544    0.0000 C   0  0
    6.3238   -3.9802    0.0000 C   0  0  2  0  0  0
    6.6067   -3.0210    0.0000 O   0  0
    7.3153   -5.0895    0.0000 C   0  0
    8.7787   -4.7600    0.0000 O   0  0
    6.8692   -6.5225    0.0000 C   0  0
    7.8858   -7.6254    0.0000 O   0  0
    5.1962   -3.0000    0.0000 C   0  0  2  0  0  0
    6.1061   -2.5853    0.0000 C   0  0
    5.1962   -1.5000    0.0000 C   0  0
    3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
    3.8971    0.7500    0.0000 O   0  0
    2.5981   -1.5000    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 15 21  1  0
 21 12  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  0
 24 25  1  1
 24 26  1  0
 26  2  1  0
 26 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12155

> <plate>
PLATE 016

> <well>
A5

> <supplier_cmpd_name>
Hydrocortisone

> <ctcr_id>
4963

> <supplier_cmpd_id>
T1614

> <smiles>
C[C@]12CCC(=O)C=C1CCC3C4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)C23

> <pd_targets>
{SHBG,HIF1A,HSD17B10,CHRM1,NR3C2,NR3C1,SERPINA6,ARHGAP35,NFKB1,MAPT,CYP3A4,ANXA1}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,"Transcription factor","Membrane receptor","Other cytosolic protein","Ion channel",Protease,Oxidoreductase,"Family A G protein-coupled receptor","Nuclear receptor","Cytochro
me P450","Other ion channel","Cysteine protease","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 3",Annexin,"Cysteine protease CA clan","Monoam
ine receptor","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 family 3A","Cysteine protease C1A family","Acetylcholine receptor","Nuclear hormone receptor subfamily 3 group C member 2"
,"Nuclear hormone receptor subfamily 3 group C member 1","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Nuclear hormone receptors","Cytochrome P450","Acetylcholine receptors (muscarinic)","Steroid hormone receptors","CYP3 family","3C. 3-Ketosteroid recep
tors"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"Signal Transduction","Metabolism of proteins","Gene expression (Transcription)","Developmental Biology","Immune System","Neuronal System","Cellula
r responses to stress","Metabolism of amino acids and derivatives","Signaling by GPCR","Post-translational protein modification","RNA Polymerase II Transcription","Metabolism of lipids","Nervous syste
m development","Cytokine Signaling in Immune system","Transmission across Chemical Synapses","Cellular response to hypoxia","Branched-chain amino acid catabolism","GPCR ligand binding",SUMOylation,"Ge
neric Transcription Pathway","Metabolism of steroids","Axon guidance","Signaling by Interleukins","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proreso
lving mediators (SPMs)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Class A/1 (Rhodopsin-like receptors)","SUMO E3 ligases SUMOylate target proteins","FOXO-mediated tra
nscription","Metabolism of steroid hormones","Semaphorin interactions","Interleukin-1 family signaling","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Amine
 ligand-binding receptors","SUMOylation of intracellular receptors","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Glucocorticoid biosynthesis","Sema4D in semaphorin
 signaling","Interleukin-1 signaling","Post NMDA receptor activation events","Biosynthesis of maresins","Peptide ligand-binding receptors","Muscarinic acetylcholine receptors","Sema4D mediated inhibit
ion of cell attachment and migration","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Formyl peptide receptors bind formyl p
eptides and many other ligands"}

> <broad_targets>
{ANXA1,NOS2,NR3C1,NR3C2}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{SR-05000001538,SR05000001538,Spectrum_001283,Spectrum001283,Spectrum-001283,"Spectrum 001283",Spectrum2_000312,Spectrum2000312,Spectrum2-000312,"Spectrum2 000312",Spectrum3_001244,Spectrum3001244,Spe
ctrum3-001244,"Spectrum3 001244",Spectrum4_001812,Spectrum4001812,Spectrum4-001812,"Spectrum4 001812",Spectrum5_000543,Spectrum5000543,Spectrum5-000543,"Spectrum5 000543",BSPBio_002748,BSPBio002748,BS
PBio-002748,"BSPBio 002748",KBioGR_002448,KBioGR002448,KBioGR-002448,"KBioGR 002448",KBioSS_001763,KBioSS001763,KBioSS-001763,"KBioSS 001763",SPECTRUM300024,DivK1c_000472,DivK1c000472,DivK1c-000472,"D
ivK1c 000472",SPBio_000304,SPBio000304,SPBio-000304,"SPBio 000304",SCHEMBL1688689,HMS501H14,KBio1_000472,KBio1000472,KBio1-000472,"KBio1 000472",KBio2_001763,KBio2001763,KBio2-001763,"KBio2 001763",KB
io2_,KBio2,KBio2-,300024,HYDROCORTISONE}

> <pdid>
PD002049

> <targets>
{Endogenous Metabolite,Glucocorticoid Receptor}

> <classes>
{glucocorticoid,antiinflammatory,GPCR/G Protein,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5320346}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 35  0  0  1  0            999 V2000
    9.0926   -3.7747    0.0000 C   0  0
    7.7959   -3.0206    0.0000 C   0  0
    6.4933   -3.7660    0.0000 O   0  0
    5.1959   -3.0115    0.0000 C   0  0
    5.2011   -1.5115    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0  2  0  0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  3
    5.1894   -6.0109    0.0000 C   0  0  1  0  0  0
    6.4897   -5.2632    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    6.4855   -8.2648    0.0000 N   0  3
    7.8369   -7.6438    0.0000 C   0  0
    8.8406   -8.7585    0.0000 C   0  0
    8.0906  -10.0575    0.0000 C   0  0
    6.6233   -9.7456    0.0000 C   0  0  1  0  0  0
    5.5002  -10.7372    0.0000 C   0  0
    5.7982  -12.2073    0.0000 O   0  0
    4.0780  -10.2606    0.0000 O   0  0
   12.8933   -3.4790    0.0000 O   0  5
   12.8933   -4.9790    0.0000 C   0  0
   11.5940   -5.7286    0.0000 O   0  0
   14.1932   -5.7290    0.0000 C   0  0
   15.4932   -4.9790    0.0000 C   0  0
   15.4947   -3.4782    0.0000 C   0  0
   14.1961   -2.7274    0.0000 O   0  5
   16.7939   -2.7286    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  1
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  6 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 24 25  1  1
 25 26  1  0
 25 27  2  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
M  CHG  4  15   1  20   1  28  -1  34  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12156

> <plate>
PLATE 016

> <well>
A6

> <supplier_cmpd_name>
Enalapril Maleate

> <ctcr_id>
5129

> <supplier_cmpd_id>
T6486

> <smiles>
CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)[NH+]2CCC[C@H]2C(O)=O.[O-]C(=O)\C=C/C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Feliberal,Hipoartel,"Enalapril maleate",76095-16-4,76095164,"76095 16 4",Renitec,Glioten,Vasotec,Baripril,Benalapril,Crinoren,Innovace,Naprilene,Renivace,Dabonal,Enapren,Xanef,"Enalapril maleate salt
","Enalapril (maleate)",UNII-9O25354,UNII9O25354,1501214,Prestw-314,"ENALAPRIL MALEATE"}

> <pdid>

> <targets>
{}

> <classes>
{antihypertensive,"ACE inhibitor"}

> <pubchem_cids>
{5388961,11145434}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    0.5586   -5.1668    0.0000 C   0  0
    1.1640   -3.7944    0.0000 C   0  0
    0.2783   -2.5827    0.0000 C   0  0
    0.8840   -1.2095    0.0000 C   0  0
    0.0000    0.0000    0.0000 C   0  0
   -1.5043    0.0000    0.0000 N   0  0
   -1.9556    1.4291    0.0000 C   0  0
   -2.4219    2.8581    0.0000 C   0  0
   -3.9262    2.8581    0.0000 C   0  0
   -4.3925    1.4291    0.0000 C   0  0
   -3.1740    0.5415    0.0000 C   0  0
   -0.7521    2.3016    0.0000 C   0  0
   -0.7521    3.8016    0.0000 O   0  0
    0.4513    1.4291    0.0000 N   0  0
    1.8744    1.8982    0.0000 C   0  0
    2.9947    0.8995    0.0000 C   0  0
    4.4200    1.3670    0.0000 C   0  0
    5.5376    0.3665    0.0000 C   0  0
    5.2299   -1.1016    0.0000 C   0  0
    3.8047   -1.5692    0.0000 C   0  0
    2.6871   -0.5687    0.0000 C   0  0
    6.3481   -2.1025    0.0000 C   0  0
    6.0382   -3.5703    0.0000 C   0  0
    7.1542   -4.5725    0.0000 C   0  0
    8.5802   -4.1071    0.0000 C   0  0
    8.8902   -2.6395    0.0000 C   0  0
    7.7742   -1.6372    0.0000 C   0  0
    8.0843   -0.1689    0.0000 C   0  0
    7.0764    0.9248    0.0000 N   0  0
    7.8268    2.2236    0.0000 N   0  0
    9.2939    1.9113    0.0000 N   0  0
    9.4503    0.4195    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
  7 12  1  0
 12 13  2  0
 12 14  1  0
 14  5  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 32 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12157

> <plate>
PLATE 016

> <well>
A7

> <supplier_cmpd_name>
Irbesartan

> <ctcr_id>
11115

> <supplier_cmpd_id>
T1615

> <smiles>
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{AGTR1,JUN,SLC10A1}

> <broad_moa>
{"angiotensin receptor antagonist"}

> <synonyms>
{irbesartan,138402-11-6,138402116,Avapro,Aprovel,Karvea,SR-47436,SR47436,BMS-186295,BMS186295,"BMS 186295","SR 47436","Irbesartan free base",UNII-J0E2756Z7N,UNIIJ0E2756Z7N,CHEMBL1513,CHEBI:5959,J0E275
6Z7N,"138402-11-6 (free base)","138402116 (free base)",MFCD00864464,NCGC00095122-01,NCGC0009512201,DSSTox_CID_3169,DSSToxCID3169,DSSTox-CID-3169,"DSSTox CID 3169",DSSTox_RID_7,DSSToxRID7,DSSTox-RID-7,
"DSSTox RID 7",T1615,Irbesartan}

> <pdid>

> <targets>
{"AT1 receptor"}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{3749}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 46 49  0  0  0  0            999 V2000
    7.7889    3.0105    0.0000 C   0  0
    6.4891    3.7593    0.0000 C   0  0
    6.4882    5.2593    0.0000 C   0  0
    5.1896    3.0084    0.0000 C   0  0
    3.8883    3.7562    0.0000 N   0  0
    2.5924    3.0008    0.0000 C   0  0
    1.2903    3.7455    0.0000 C   0  0
    1.2841    5.2455    0.0000 C   0  0
    2.5800    6.0008    0.0000 N   0  0
    3.8821    5.2562    0.0000 C   0  0
    5.1781    6.0115    0.0000 O   0  0
    5.1937    1.5076    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    6.4950    0.7599    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0964    0.7636    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
   10.4060   -2.9850    0.0000 C   0  0
   11.7081   -3.7313    0.0000 C   0  0
   11.7160   -5.2313    0.0000 C   0  0
   13.0189   -5.9745    0.0000 C   0  0
   14.3140   -5.2178    0.0000 C   0  0
   14.3062   -3.7178    0.0000 C   0  0
   13.0033   -2.9745    0.0000 C   0  0
   11.6990   -0.7319    0.0000 N   0  0
   11.6978    0.7689    0.0000 C   0  0
   10.3979    1.5175    0.0000 O   0  0
   12.9964    1.5212    0.0000 C   0  0
   12.9953    3.0220    0.0000 O   0  0
   14.2939    3.7743    0.0000 C   0  0
   14.2949    5.2743    0.0000 C   0  0
   12.9964    6.0252    0.0000 C   0  0
   15.5944    6.0235    0.0000 C   0  0
   16.8930    5.2727    0.0000 C   0  0
   16.8921    3.7727    0.0000 C   0  0
   15.5926    3.0235    0.0000 C   0  0
   15.5917    1.5235    0.0000 C   0  0
    5.2026   -1.4971    0.0000 C   0  0
    5.2083   -2.9979    0.0000 C   0  0
    3.9137   -3.7556    0.0000 C   0  0
    3.9224   -5.2556    0.0000 C   0  0
    5.2258   -5.9980    0.0000 C   0  0
    6.5205   -5.2404    0.0000 C   0  0
    6.5117   -3.7404    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  2  0
  4 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 19 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 33 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 32  1  0
 38 39  1  0
 15 40  1  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 41  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12158

> <plate>
PLATE 016

> <well>
A8

> <supplier_cmpd_name>
Lopinavir

> <ctcr_id>
4512

> <supplier_cmpd_id>
T1623

> <smiles>
CC(C)C(N1CCCNC1=O)C(=O)NC(CC(O)C(Cc2ccccc2)NC(=O)COc3c(C)cccc3C)Cc4ccccc4

> <pd_targets>
{POL,"HIV-1 PROTEASE",CYP3A4,PROTEASE,ZMPSTE24,REP,ABCB11,KCNH2,RORC,ABCB1,ABCC4,ABCC3}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,"Ion channel","Transcription factor",Protease,"Cytochrome P450",Transferase,"Primary active transporter","Voltage-gated ion channel","Nuclear receptor","Aspa
rtic protease","Cytochrome P450 family 3","Cysteine protease","Metallo protease","ATP-binding cassette","Potassium channels","Nuclear hormone receptor subfamily 1","Aspartic protease AA clan","Cytochr
ome P450 family 3A","Cysteine protease PAC clan","Metallo protease MAE clan","ABCB subfamily","Voltage-gated potassium channel","Nuclear hormone receptor subfamily 1 group F","ABCC subfamily","Asparti
c protease A2A subfamily","Cytochrome P450 3A4","Cysteine protease C3A subfamily","Metallo protease M48A subfamily","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Transporters,"Ion channels",Receptors,"Cytochrome P450","Anti-infective targets","ATP-binding cassette transporter family","Voltage-gated ion channels","Nuclear hormon
e receptors","CYP3 family","Viral protein targets","ABCB subfamily","Potassium channels","1F. Retinoic acid-related orphans","ABCC subfamily","Coronavirus (CoV) proteins","Voltage-gated potassium chan
nels"}

> <pathway_reactome>
{Metabolism,Disease,"Muscle contraction","Gene expression (Transcription)",Hemostasis,"Metabolism of lipids","Infectious disease","Cardiac conduction","RNA Polymerase II Transcription","Abacavir trans
port and metabolism","Platelet activation","signaling and aggregation","Biosynthesis of specialized proresolving mediators (SPMs)","SARS-CoV Infections","Metabolism of steroids","Phase 3 - rapid repol
arisation","Generic Transcription Pathway","Abacavir transmembrane transport","Response to elevated platelet cytosolic Ca2+","Biosynthesis of DHA-derived SPMs","SARS-CoV-2 Infection","Bile acid and bi
le salt metabolism","Transcriptional regulation by RUNX3","SARS-CoV-1 Infection","Platelet degranulation","Biosynthesis of maresins","SARS-CoV-2 Genome Replication and Transcription","Synthesis of bil
e acids and bile salts","RUNX3 Regulates Immune Response and Cell Migration","SARS-CoV-1 Genome Replication and Transcription","Recycling of bile acids and salts","Biosynthesis of maresin-like SPMs","
Replication of the SARS-CoV-2 genome","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{}

> <broad_moa>
{"HIV protease inhibitor"}

> <synonyms>
{192725-17-0,192725170,Lopinavir-(d8),Lopinavir(d8),"Lopinavir (2R) Epimer",SCHEMBL8171504,HMS3654D21,1217628-64-2,1217628642,1322625-54-6,1322625546,BCP01395,NSC740137,AKOS032960319,NSC-740137,AK-729
30,AK72930,LS-15397,LS15397,FT-0631202,FT0631202,"ABT-378;ABT 378;ABT378 pound>>A 157378.0 pound>>A-157378.0 pound>>A1","ABT378;ABT 378;ABT378 pound>>A 157378.0 pound>>A157378.0 pound>>A1",T1623,S1380
,Lopinavir}

> <pdid>
PD009457

> <targets>
{"HIV Protease"}

> <classes>
{Proteases}

> <pubchem_cids>
{3817}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 16  0  0  0  0            999 V2000
    7.6943   -1.8789    0.0000 Br  0  5
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 N   0  3
   -3.8983   -0.7513    0.0000 C   0  0
   -2.5983   -3.0004    0.0000 C   0  0
   -3.8975   -2.2510    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
M  CHG  2   1  -1  14   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12159

> <plate>
PLATE 016

> <well>
A9

> <supplier_cmpd_name>
Neostigmine bromide

> <ctcr_id>
2531

> <supplier_cmpd_id>
T1624

> <smiles>
[Br-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C

> <pd_targets>
{BCHE,ACHE,LMNA,CHRM1,AMPC,KMT2A,MEN1,NPSR1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor","Epigenetic regulator",Hydrolase,"Family A G protein-coupled receptor",Reader,"Small molecule receptor (family A GPCR)",Bromodomain,"Peptide recepto
r (family A GPCR)","Monoamine receptor","Short peptide receptor (family A GPCR)","Acetylcholine receptor","Neuropeptide receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Acetylcholine turnover","G protein-coupled receptors","Acetylcholine receptors (muscarinic)","Neuropeptide S receptor"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Signal Transduction",Disease,"Metabolism of lipids",Mitotic,"Signaling by GPCR","Infectious disease","Phospholipid metabolism","M Phase","GPCR ligand binding","Leishmania inf
ection","Glycerophospholipid biosynthesis","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Synthesis of PC","Mitotic Anaphase","Amine
 ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammat
ory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ACHE}

> <broad_moa>
{"acetylcholinesterase inhibitor"}

> <synonyms>
{neo-Proserin,neoProserin,"Proserine bromide","Stigmanol bromide","Synstigmin bromide","neostigmine bromide",114-80-7,114807,"Eustigmin bromide","Neoserine bromide","Leostigmine bromide","Kirkstigmine
 bromide","Philostigmin bromide",Prostigmin,3-((Dime,3((Dime,T1624,1500428,Prestw-468,"Neostigmine bromide","NEOSTIGMINE BROMIDE"}

> <pdid>
PD009515

> <targets>
{}

> <classes>
{cholinergic}

> <pubchem_cids>
{8246}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  0  0            999 V2000
    8.8990   -2.2487    0.0000 H   0  3
    6.3990   -2.2487    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 F   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 N   0  0
    0.0036   -7.4988    0.0000 C   0  0
    1.3038   -8.2467    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  8 10  2  0
  7 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 18  1  0
 17 25  1  0
 25 26  1  0
 25 27  2  0
 27  5  1  0
 27 13  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12160

> <plate>
PLATE 016

> <well>
A10

> <supplier_cmpd_name>
Lomefloxacin hydrochloride

> <ctcr_id>
314

> <supplier_cmpd_id>
T1625

> <smiles>
[H+].[Cl-].CCN1C=C(C(O)=O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12

> <pd_targets>
{KDM4E,ALDH1A1,HSD17B10,HPGD,NFO,PMP22,PARC,GYRA,TOP2A,GYRB,CHRM1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Unclassified protein","Membrane receptor",Eraser,Oxidoreductase,Hydrolase,Isomerase,"Family A G protein-coupled receptor","Lysine demethylase","Small molecule receptor 
(family A GPCR)","Jumonji domain-containing","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Eicosanoid turnover","DNA topoisomerases","G protein-coupled receptors","1.14.11.- Histone demethylases","Prostaglandin synthases","Acetylcholine rece
ptors (muscarinic)"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Cell Cycle","Signal Transduction","Biological oxidations","Metabolism of amino acids and derivatives","Metabolism of lipids","Nervous system development",Mitotic,"
Signaling by GPCR","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","EGR2 and SOX10-mediated initiation of 
Schwann cell myelination","Mitotic G1 phase and G1/S transition","GPCR ligand binding","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","G0 and Early G1","Class A/1 (Rhodopsin-like receptors)","
Biosynthesis of D-series resolvins","Transcription of E2F targets under negative control by DREAM complex","Amine ligand-binding receptors","Muscarinic acetylcholine receptors"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{"Lomefloxacin hydrochloride",98079-52-8,98079528,Maxaquin,"Lomefloxacin HCl",Okacyn,Bareon,Uniquin,Ny-198,Ny198,SC-47111,SC47111,"Lomefloxacin (hydrochloride)",MFCD00214312,CHEBI:6518,"Lomefloxacin h
ydrochloride (Maxaquin)",Mazaquin,DSSTox_CID_25527,DSSToxCID25527,DSSTox-CID-25527,"DSSTox CID 25527",T1625,T1444,1502037,Prestw-238,Lomefloxacin,"LOMEFLOXACIN HYDROCHLORIDE"}

> <pdid>
PD009609

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{68624,57516048}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 25  0  0  1  0            999 V2000
    1.8177  -11.3743    0.0000 C   0  0
    2.4298  -10.0049    0.0000 C   0  0
    1.5502   -8.7888    0.0000 C   0  0
    2.1626   -7.4186    0.0000 C   0  0
    1.2830   -6.2026    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0  2  0  0  0
    3.3874   -4.6783    0.0000 O   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 C   0  0  2  0  0  0
    2.6401    0.8578    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -2.6401    0.8578    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -3.1255   -2.0835    0.0000 C   0  0
   -4.0102   -3.2959    0.0000 C   0  0
   -5.5026   -3.1369    0.0000 C   0  0
   -6.3873   -4.3492    0.0000 C   0  0
   -7.8796   -4.1902    0.0000 C   0  0
   -8.7643   -5.4026    0.0000 C   0  0
   -8.1566   -6.7740    0.0000 O   0  0
  -10.2559   -5.2436    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  2  0
 10  9  1  6
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 10  1  0
 16 17  1  1
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12161

> <plate>
PLATE 016

> <well>
A11

> <supplier_cmpd_name>
Alprostadil

> <ctcr_id>
4125

> <supplier_cmpd_id>
T1626

> <smiles>
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O

> <pd_targets>
{PTGIR,PTGER2,PTGER3,CATSPER1,CATSPER4,PTGER1,PTGER4,CATSPER3,PTGDR,CATSPER2,ABCC3,SLCO2B1,ABCC4,PTGDR2}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel",Transporter,"Family A G protein-coupled receptor","Voltage-gated ion channel","Primary active transporter","Electrochemical transporter","Small molecule receptor (fa
mily A GPCR)","CatSper and Two-Pore channels","ATP-binding cassette","SLC superfamily of solute carriers","Lipid-like ligand receptor (family A GPCR)","ABCC subfamily","SLC21/SLCO family of organic an
ion transporting polypeptides","Prostanoid receptor"}

> <pathway_chembl>
{Receptors,"Ion channels",Transporters,"G protein-coupled receptors","Voltage-gated ion channels","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Prostanoid receptors",
"CatSper and Two-Pore channels","ABCC subfamily","SLCO family of organic anion transporting polypeptides"}

> <pathway_reactome>
{Disease,"Signal Transduction",Reproduction,Metabolism,"Transport of small molecules",Hemostasis,"Infectious disease","Signaling by GPCR",Fertilization,"Metabolism of lipids","SLC-mediated transmembra
ne transport","Platelet activation","signaling and aggregation","Leishmania infection","GPCR ligand binding","Sperm Motility And Taxes","Metabolism of steroids","Transport of vitamins",nucleosides,"an
d related molecules","Response to elevated platelet cytosolic Ca2+","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Transport of 
organic anions","Platelet degranulation","Anti-inflammatory response favouring Leishmania parasite infection","Eicosanoid ligand-binding receptors","Recycling of bile acids and salts","ADORA2B mediate
d anti-inflammatory cytokines production","Prostanoid ligand receptors"}

> <broad_targets>
{CATSPER1,CATSPER2,CATSPER3,CATSPER4,PTGDR,PTGER1,PTGER2,PTGER4,PTGIR}

> <broad_moa>
{"prostanoid receptor agonist"}

> <synonyms>
{alprostadil,"Prostaglandin E1",745-65-3,745653,PGE1,Edex,Caverject,Muse,"Prostin VR",Alprostadilum,Femprox,Befar,Alprox-TD,AlproxTD,"l-Prostaglandin E1","lProstaglandin E1",Liprostin,Prostandin,Vitar
os,PGE-1,Topiglan,Alprostadil(Caverject),(11alpha,13E,15S)-11,15S)11,15-dihydro,15dihydro,SAM001246840,Prestw-1018,CPD000112594,Alprostadil}

> <pdid>
PD002898

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5280723}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
    1.8949   -4.8318    0.0000 N   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.0031    2.7742    0.0000 C   0  0
   -1.3040    3.5228    0.0000 S   0  0
   -1.3071    5.0236    0.0000 C   0  0
   -2.6079    5.7721    0.0000 C   0  0
   -2.6111    7.2729    0.0000 C   0  0
   -3.9119    8.0215    0.0000 N   0  0
   -3.9150    9.5223    0.0000 S   0  0
   -5.2151   10.2704    0.0000 O   0  0
   -2.6173   10.2746    0.0000 O   0  0
   -3.9174   11.0223    0.0000 N   0  0
   -1.3133    8.0252    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 S   0  0
   -0.4763   -3.7706    0.0000 N   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 11 17  1  0
  6 18  2  0
 18 19  1  0
 19  4  1  0
  2 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12162

> <plate>
PLATE 016

> <well>
B2

> <supplier_cmpd_name>
Famotidine

> <ctcr_id>
11116

> <supplier_cmpd_id>
T1627

> <smiles>
NC(=Nc1nc(CSCCC(=NS(=O)(=O)N)N)cs1)N

> <pd_targets>
{CA9,FFP,CA5B,CA2,PMP22,HRH2,TSHR,CA14,CA13,CA12,LMNA,POU5F1,CA6,CA1,CA5A,BLM,CA4,CA7,SLC22A2,SLC47A1,SLC22A3,SLC47A2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor","Other nuclear protein","Transcription factor",Transporter,Lyase,Transferase,"Family A G protein-coupled receptor",Protease,"Electrochemical transpor
ter","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cysteine protease","SLC superfamily of solute carriers","Monoamine receptor","Glycohormone receptor","Cysteine protea
se CA clan","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and toxin extrusion transporters","Histamine receptor","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Carbonic anhydrases","G protein-coupled receptors","SLC superfamily of solute carriers","Histamine receptors","Glycoprotein hormone receptors","SLC22 family of organic
 cation and anion transporters","SLC47 family of multidrug and toxin extrusion transporters","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"Transport of small molecules","Developmental Biology",Disease,"Cell Cycle","Immune System","DNA Repair","Cellular responses to stress","Reversible
 hydration of carbon dioxide","O2/CO2 exchange in erythrocytes","Nervous system development","Infectious disease",Mitotic,"Transcriptional regulation of pluripotent stem cells","Cytokine Signaling in 
Immune system","DNA Double-Strand Break Repair","SLC-mediated transmembrane transport","Cellular response to hypoxia","Erythrocytes take up carbon dioxide and release oxygen","EGR2 and SOX10-mediated 
initiation of Schwann cell myelination","Leishmania infection","M Phase","POU5F1 (OCT4)",SOX2,"NANOG activate genes related to proliferation","Signaling by Interleukins","Homology Directed Repair","Tr
ansport of bile salts and organic acids","metal ions and amine compounds","Regulation of gene expression by Hypoxia-inducible Factor","Leishmania parasite growth and survival","Mitotic Metaphase and A
naphase","Interleukin-12 family signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Organic cation/anion/zwitterion transport","Anti-inflammatory response favouri
ng Leishmania parasite infection","Mitotic Anaphase","Interleukin-12 signaling","HDR through Homologous Recombination (HRR)","Organic cation transport","ADORA2B mediated anti-inflammatory cytokines pr
oduction","Nuclear Envelope (NE) Reassembly","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear En
velope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{76824-35-6,76824356,Famotidinum,Famotidina,Brolin,Gastro,PEPCID,Apogastine,Gastrodomina,Gastrosidin,Amfamox,Antodine,Bestidine,Blocacid,Confobos,Cuantin,Famocid,Famodar,Famodil,Famodin,Famodine,Famog
ard,Famonit,Famopsin,Famosan,Famotal,Famote,T1627,Famotidine}

> <pdid>
PD001511

> <targets>
{"H2 receptor"}

> <classes>
{"GPCR/G Protein",Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{3325}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 27  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8926   -3.7566    0.0000 C   0  0
   -1.2948   -3.7517    0.0000 C   0  0
   11.5943   -0.3804    0.0000 O   0  0
   11.5943   -1.8804    0.0000 C   0  0
   10.2943   -2.6304    0.0000 C   0  0
   10.2943   -4.1304    0.0000 O   0  0
    8.9943   -1.8804    0.0000 C   0  0
    8.9943   -0.3804    0.0000 O   0  0
    7.6950   -2.6300    0.0000 O   0  0
   12.8943   -2.6304    0.0000 C   0  0
   12.8943   -4.1304    0.0000 O   0  0
   14.1936   -1.8809    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  2  0
 20 26  1  0
 26 27  1  0
 26 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12163

> <plate>
PLATE 016

> <well>
B3

> <supplier_cmpd_name>
Rivastigmine tartrate

> <ctcr_id>
3819

> <supplier_cmpd_id>
T1628

> <smiles>
CCN(C)C(=O)Oc1cccc(c1)C(C)N(C)C.OC(C(O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{129101-54-8,129101548,"Rivastigmine Hydrogen Tartrate","129101-54-8 (tartrate); 123441-03-2 (free).","129101548 (tartrate); 123441032 (free).",194930-00-2,194930002,"Rivastigmine D6 Tartrate",RIVASTI
GMINETARTRATESALT,HMS3655N17,ANW-43646,ANW43646,AKOS032947234,AK-51757,AK51757,AS-35093,AS35093,FT-0656529,FT0656529,S2087,"Rivastigmine Tartrate"}

> <pdid>

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{14254240}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 63 68  0  0  1  0            999 V2000
   -7.4552   -3.5838    0.0000 C   0  0
   -6.0104   -3.9870    0.0000 O   0  0
   -4.9400   -2.9400    0.0000 C   0  0  1  0  0  0
   -3.3500   -3.2400    0.0000 C   0  0
   -3.1000   -4.8300    0.0000 C   0  0
   -1.5200   -5.1200    0.0000 O   0  0
   -0.7000   -3.7400    0.0000 C   0  0  1  0  0  0
   -2.1973   -3.6507    0.0000 C   0  0
   -1.3600   -2.2500    0.0000 O   0  0
   -0.1600   -1.1700    0.0000 C   0  0
   -0.1600    0.4200    0.0000 C   0  0
   -1.0286    0.9155    0.0000 C   0  0
    1.2100    1.2300    0.0000 C   0  0
    1.2029    2.7300    0.0000 O   0  0
    2.6100    0.4200    0.0000 C   0  0
    4.0000    1.2300    0.0000 C   0  0
    3.9954    2.7300    0.0000 O   0  0
    5.4100    0.4200    0.0000 C   0  0
    6.8200    1.2300    0.0000 N   0  0
    6.4200    3.1700    0.0000 C   0  0
    7.6031    4.0921    0.0000 O   0  0
    5.2400    3.7400    0.0000 C   0  0
    3.6200    3.7900    0.0000 C   0  0
    2.3600    2.7300    0.0000 C   0  0
    1.1200    3.8200    0.0000 C   0  0
   -0.2200    3.0400    0.0000 C   0  0  2  0  0  0
   -0.3675    1.5473    0.0000 C   0  0
   -1.4300    4.1100    0.0000 C   0  0  2  0  0  0
   -1.2537    5.5996    0.0000 O   0  0
   -2.8600    3.3500    0.0000 C   0  0  1  0  0  0
   -4.2023    4.0195    0.0000 C   0  0
   -2.6100    1.7700    0.0000 C   0  0  1  0  0  0
   -1.7116    1.3309    0.0000 O   0  0
   -4.0400    0.9800    0.0000 C   0  0  1  0  0  0
   -5.3935    1.6266    0.0000 C   0  0
   -3.7700   -0.5500    0.0000 C   0  0  2  0  0  0
   -2.4087   -1.1738    0.0000 O   0  0
   -2.2675   -2.6680    0.0000 C   0  0
   -3.0828   -3.2470    0.0000 C   0  0
   -1.3585   -3.0848    0.0000 O   0  0
   -5.2000   -1.3500    0.0000 C   0  0  2  0  0  0
   -6.5511   -0.6985    0.0000 C   0  0
    5.5972    5.1969    0.0000 C   0  0
    5.4100   -1.1700    0.0000 C   0  0
    6.7110   -1.9161    0.0000 C   0  0
    6.7165   -3.4169    0.0000 N   0  0
    8.0185   -4.1634    0.0000 N   0  0
    8.0262   -5.6634    0.0000 C   0  0
    9.3291   -6.4068    0.0000 C   0  0
   10.6243   -5.6502    0.0000 N   0  0
   10.6167   -4.1502    0.0000 C   0  0
    9.3138   -3.4068    0.0000 C   0  0
   11.9278   -6.3940    0.0000 C   0  0
   12.0755   -7.8739    0.0000 C   0  0
   13.5448   -8.1760    0.0000 C   0  0
   14.2861   -6.8719    0.0000 C   0  0
   13.2750   -5.7639    0.0000 C   0  0
    4.0000   -1.9800    0.0000 C   0  0
    3.9954   -3.4800    0.0000 O   0  0
    2.6100   -1.1700    0.0000 C   0  0
    1.2100   -1.9800    0.0000 C   0  0
    0.8800   -3.5500    0.0000 C   0  0
    1.8933   -4.6560    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  6
 26 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  1  6
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  6
 37 38  1  0
 38 39  1  0
 38 40  2  0
 36 41  1  0
 41  3  1  0
 41 42  1  1
 22 43  1  0
 18 44  1  0
 44 45  1  0
 45 46  2  3
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 47  1  0
 50 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 53  1  0
 44 58  2  0
 58 59  1  0
 58 60  1  0
 60 15  1  0
 60 61  2  0
 61 10  1  0
 61 62  1  0
 62  7  1  0
 62 63  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12164

> <plate>
PLATE 016

> <well>
B4

> <supplier_cmpd_name>
Rifapentine

> <ctcr_id>
7072

> <supplier_cmpd_id>
T1629

> <smiles>
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)/C)c(C=NN5CCN(CC5)C6CCCC6)c(O)c4c3C2=O

> <pd_targets>
{KMT2A,MEN1,KDM4E,MAPT,ALD,FTL,MAPK1,GAA,ABCC4,ABCB11,ABCC3,ABCC2,RPOA,RPOB,RPOC,RPOZ}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Enzyme,"Unclassified protein",Reader,Eraser,Kinase,Hydrolase,Bromodomain,"Lysine demethylase","Protein Kinase","Jumonji domain-containing","CMGC prote
in kinase group","CMGC protein kinase MAPK family","CMGC protein kinase ERK1",Transporter,"Primary active transporter",Transferase,"ATP-binding cassette","ABCC subfamily","ABCB subfamily"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","3.2.1.- Glycosidases","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases
 (MAP kinases)","ERK subfamily",Transporters,"ATP-binding cassette transporter family","ABCC subfamily","ABCB subfamily"}

> <pathway_reactome>
{"Neuronal System","Vesicle-mediated transport","Immune System",Disease,"Transmission across Chemical Synapses","Membrane Trafficking","Innate Immune System","Diseases of metabolism","Neurotransmitter
 receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Toll-like Receptor Cascades","Diseases of carbohydrate metabolism","Activation of NMDA receptors and postsynapti
c events","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 5 (TLR5) Cascade","Glycogen storage diseases","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","G
lycogen storage disease type II (GAA)","Activation of AMPK downstream of NMDARs","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated
",Hemostasis,Metabolism,"Platelet activation","signaling and aggregation","Metabolism of lipids","Disorders of transmembrane transporters","Infectious disease","Response to elevated platelet cytosolic
 Ca2+","Metabolism of steroids","ABC transporter disorders","Infection with Mycobacterium tuberculosis","Platelet degranulation","Bile acid and bile salt metabolism","Defective ABCC2 causes DJS","Anti
microbial action and antimicrobial resistance in Mtb","Synthesis of bile acids and bile salts","Recycling of bile acids and salts","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol
"}

> <broad_targets>
{CYP2C8,CYP2C9,CYP3A4}

> <broad_moa>
{"RNA polymerase inhibitor"}

> <synonyms>
{RIFAPENTINE,61379-65-5,61379655,"3-(4-Cyclopentyl-1-piperazinyl)iminomethylrifamycin SV","3(4Cyclopentyl1piperazinyl)iminomethylrifamycin SV",CHEMBL4538240,HMS3259L06,NC00700,SAM002589953,CPD00190677
9}

> <pdid>
PD002884

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{135968625}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  9  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 S   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12165

> <plate>
PLATE 016

> <well>
B5

> <supplier_cmpd_name>
Tiopronin

> <ctcr_id>
3522

> <supplier_cmpd_id>
T1630

> <smiles>
CC(S)C(=O)NCC(O)=O

> <pd_targets>
{ACE,MAPT,TDP1,ALDH1A1,LMNA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Other nuclear protein",Protease,Hydrolase,Oxidoreductase,"Metallo protease","Metallo protease MAE clan","Metallo protease M2 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","MA: Metallo (M) Peptidases","M2: Angiotensin-converting  (ACE and ACE2)"}

> <pathway_reactome>
{"Metabolism of proteins","Neuronal System","DNA Repair",Metabolism,"Cell Cycle","Peptide hormone metabolism","Transmission across Chemical Synapses","DNA Double-Strand Break Repair","Biological oxida
tions",Mitotic,"Metabolism of Angiotensinogen to Angiotensins","Neurotransmitter receptors and postsynaptic signal transmission","Nonhomologous End-Joining (NHEJ)","Phase I - Functionalization of comp
ounds","M Phase","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Mitotic Metaphase and Anaphase","Post NMDA receptor activation events","Mitotic Anaphase","Activation of AM
PK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"chelating agent","reducing agent"}

> <synonyms>
{1953-02-2,1953022,N-(2-Mercaptopropionyl)glycine,N(2Mercaptopropionyl)glycine,Acadione,Captimer,Thiopronine,Mucolysin,Capen,Epatiol,Thiola,Thiosol,"2-(2-sulfanylpropanoylamino)acetic acid","2(2sulfan
ylpropanoylamino)acetic acid","Tiopronin (Thiola)","Glycine, N-(2-mercapto-1-oxopropyl)-","Glycine, N(2mercapto1oxopropyl)","A-MERCAPTOPROPIONYL GL","AMERCAPTOPROPIONYL GL",T1630,S2062,Tiopronin}

> <pdid>
PD000147

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5483}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  1  0            999 V2000
    8.7484   -2.9627    0.0000 Cl  0  0
    2.3967  -10.1711    0.0000 C   0  0
    2.0941   -8.7020    0.0000 N   0  0
    0.6703   -8.2299    0.0000 C   0  0
    3.2151   -7.7040    0.0000 C   0  0
    2.9122   -6.2341    0.0000 C   0  0
    4.0312   -5.2378    0.0000 N   0  0
    5.4984   -5.5497    0.0000 N   0  0
    6.2484   -4.2507    0.0000 N   0  0
    5.2447   -3.1359    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 S   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.0479    2.0470    0.0000 C   0  0  2  0  0  0
   -3.4926    2.4305    0.0000 N   0  0
   -4.5521    1.3675    0.0000 C   0  0
   -4.1610   -0.0806    0.0000 O   0  0
   -6.0026    1.7526    0.0000 C   0  0
   -7.0621    0.6896    0.0000 C   0  0
   -8.5291    0.9343    0.0000 C   0  0
   -9.2051   -0.4048    0.0000 S   0  0
   -8.1405   -1.4615    0.0000 C   0  0
   -8.3696   -2.9439    0.0000 N   0  0
   -6.8065   -0.7755    0.0000 N   0  0
   -0.7488    2.7970    0.0000 C   0  0
   -0.3606    4.2459    0.0000 O   0  0
    2.6003    1.4978    0.0000 C   0  0
    2.6029    2.9978    0.0000 O   0  0
    3.8983    0.7459    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  7  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  0
 17 18  1  6
 18 19  1  0
 19 14  1  0
 17 20  1  0
 20 21  1  6
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 25  1  0
 20 31  1  0
 31 16  1  0
 31 32  2  0
 15 33  1  0
 33 34  1  0
 33 35  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12166

> <plate>
PLATE 016

> <well>
B6

> <supplier_cmpd_name>
Cefotiam hydrochloride

> <ctcr_id>
5027

> <supplier_cmpd_id>
T1616

> <smiles>
Cl.CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4csc(N)n4)C3=O)C(O)=O

> <pd_targets>
{TGR,L3MBTL1,AMPC,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PBPA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Reader,Hydrolase,Protease,"Methyl-lysine/arginine binding protein","Serine protease","MBT domain","Serine protease SE clan","Serine protease S11 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{RESTW48,"CEFOTIAM HYDROCHLORIDE","Cefotiam hcl",66309-69-1,66309691,"SCE 963",DSSTox_CID_25538,DSSToxCID25538,DSSTox-CID-25538,"DSSTox CID 25538",DSSTox_RID_80940,DSSToxRID80940,DSSTox-RID-80940,"DSS
Tox RID 80940",DSSTox_GSID_45538,DSSToxGSID45538,DSSTox-GSID-45538,"DSSTox GSID 45538",Abbott-48999,Abbott48999,SCE-963,SCE963,CAS-66309-69-1,CAS66309691,SR-01000841230,SR01000841230,NCGC00016998-01,N
CGC0001699801,SCHEMBL65480,MLS002153835,CHEMBL1200589,DTXSID1045538,HMS1569B05,T1616,Prestw-482,"Cefotiam hydrochloride"}

> <pdid>
PD010157

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{20848883}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    6.4870   -5.2597    0.0000 C   0  0
    6.4915   -3.7597    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8963    3.7531    0.0000 C   0  0
   -5.1967    3.0053    0.0000 O   0  0
   -3.8942    5.2531    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
    1.2997    3.7504    0.0000 C   0  0
    2.7206    3.7070    0.0000 C   0  0
    1.9685    5.0048    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 15 17  2  0
 14 18  1  0
 18 19  2  0
 18 20  1  0
 20 11  2  0
 20 21  1  0
 21 22  2  0
 22  9  1  0
 22 23  1  0
 12 24  1  0
 24 25  1  0
 25 26  1  0
 26 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12167

> <plate>
PLATE 016

> <well>
B7

> <supplier_cmpd_name>
Enrofloxacin

> <ctcr_id>
602

> <supplier_cmpd_id>
T1617

> <smiles>
CCN1CCN(CC1)c2cc3N(C=C(C(O)=O)C(=O)c3cc2F)C4CC4

> <pd_targets>
{LMNA,HPGD,KDM4E,ALDH1A1,SKA,MAPT,HSD17B10}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Epigenetic regulator","Other cytosolic protein",Eraser,Oxidoreductase,Kinase,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Chromatin modifying enzymes","Prostaglandin synthases","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Neuronal System",Mitotic,"Metabolism of lipids","Biological oxidations","Transmission across Chemical Synapses","Metabolism of amino acids and derivatives","M Phase","Biosynt
hesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Branched-chain amino acid catabolism",
"Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Activation of NMDA receptors and postsynaptic events","Mitotic Anaphase","Biosynthesis of D-series resolvins","
Post NMDA receptor activation events","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{Enrofloxacin,93106-60-6,93106606,Baytril,Enrofloxacine,CFPQ,"BAY VP 2674",Enrofloxacino,Enrofloxacinum,Enroxil,UNII-3DX3XEK1BN,UNII3DX3XEK1BN,"Baytril (TN)",N-Ethylciprofloxacin,NEthylciprofloxacin,E
RFX,C19H22FN3O3,3DX3XEK1BN,MLS000069441,CHEBI:35720,MFCD00792463,"BAY Vp 2674;PD160788",T1617,SAM001246856,1503721,CPD000059011,ENROFLOXACIN}

> <pdid>
PD000881

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{6957639,71188}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8999   -0.7576    0.0000 C   0  0
    5.1972   -1.5121    0.0000 C   0  0
    6.4991   -0.7671    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0008    0.0000 N   0  0
   -3.8959   -3.7529    0.0000 C   0  0
   -3.8935   -5.2529    0.0000 C   0  0
   -2.5933   -6.0009    0.0000 C   0  0
   -1.2954   -5.2488    0.0000 C   0  0
   -1.2978   -3.7488    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1984    1.4977    0.0000 N   0  0
   -6.4971    0.7454    0.0000 C   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -9.0964    0.7413    0.0000 O   0  0
   -5.2041    2.9985    0.0000 C   0  0
   -6.5063    3.7448    0.0000 C   0  0
   -6.5120    5.2448    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 10 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 21 28  1  0
 28 17  1  0
 28 29  2  0
 29  8  1  0
 19 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 30 34  1  0
 34 35  1  0
 35 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12168

> <plate>
PLATE 016

> <well>
B8

> <supplier_cmpd_name>
Dypyridamole

> <ctcr_id>
6477

> <supplier_cmpd_id>
T1618

> <smiles>
OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO

> <pd_targets>
{BLM,HPGD,THPO,PDE5A,PDE2A,PDE7A,PDE7B,KMT2A,MEN1,KDM4E,NPSR1,MAPT,HIF1A,LEF,CASP1,CYP2D6,PDE3A,PDE3B,PDE6A,PDE6B,PDE6C,PDE6D,PDE6G,PDE6H,USP2,BRCA1,HSD17B10,CASP7,ALDH1A1,GABRA1,PDE11A,ABCB1,PDE10A,I
MPA1,GNAI1,RGS12,GMNN,GAA,CYP3A4,PRUNE1,PDE4A,THRB,TSHR,CYP2C19,PMP22,ALOX15,PDE8A,PDE8B,SLC29A4,PDE1A,PDE1B,PDE1C,LMNA,NFKB1,HSP90AA1,HSP90AB1,RORC,SLC47A1,SLC22A2,SLC29A1,APEX1,CYP2C9,KEAP1,NFE2L2,P
DE4B,PDE4C,PDE4D,ATM,ABCC5,ABCC4,SLC47A2,SLC22A1,ABCB11,PDE9A,ADA}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Epigenetic regulator","Membrane receptor","Other cytosolic protein","Transcription factor","Ion channel",Transporter,"Other nuclear protein",Phosphodiesterase,Reader,Er
aser,"Family A G protein-coupled receptor",Protease,"Cytochrome P450",Oxidoreductase,"Ligand-gated ion channel","Primary active transporter",Hydrolase,"Nuclear receptor","Electrochemical transporter",
Kinase,"Phosphodiesterase 5","Phosphodiesterase 2","Phosphodiesterase 7",Bromodomain,"Lysine demethylase","Peptide receptor (family A GPCR)","Metallo protease","Cysteine protease","Cytochrome P450 fam
ily 2","Phosphodiesterase 3","Phosphodiesterase 6","GABA-A receptor","Phosphodiesterase 11","ATP-binding cassette","Phosphodiesterase 10","Cytochrome P450 family 3","Phosphodiesterase 4","Nuclear horm
one receptor subfamily 1","Phosphodiesterase 8","SLC superfamily of solute carriers","Phosphodiesterase 1","Protein Kinase","Phosphodiesterase 5A","Phosphodiesterase 2A","Phosphodiesterase 7A","Jumonj
i domain-containing","Short peptide receptor (family A GPCR)","Metallo protease MAE clan","Cysteine protease CD clan","Cytochrome P450 family 2D","Phosphodiesterase 3A","Phosphodiesterase 6A","Cystein
e protease CA clan","Phosphodiesterase 11A","ABCB subfamily","Phosphodiesterase 10A","Cytochrome P450 family 3A","Phosphodiesterase 4A","Nuclear hormone receptor subfamily 1 group A","Glycohormone rec
eptor","Phosphodiesterase 7B","Cytochrome P450 family 2C","Phosphodiesterase 8A","Phosphodiesterase 8B","SLC28 and SLC29 families of nucleoside transporters","Phosphodiesterase 1A","Nuclear hormone re
ceptor subfamily 1 group F","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Atypical protein kinase group","ABCC subfamily","Neuro
peptide receptor","Metallo protease M34 family","Cysteine protease C14 family","Cytochrome P450 2D6","Cysteine protease C19 family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group A 
member 2","Cytochrome P450 2C19","SLC29 Facilitative nucleoside transporter family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels",Transporters,"Other protein targets","Eicosanoid turnover","Cyclic nucleotide turnover/signalling","Chromatin modifying enzymes","G protein-coupled receptors","Peptid
ases and proteinases","Cytochrome P450","Ligand-gated ion channels","ATP-binding cassette transporter family","Inositol phosphate turnover","3.2.1.- Glycosidases","Nuclear hormone receptors","SLC supe
rfamily of solute carriers","Heat shock proteins","Kinases (EC 2.7.x.x)","Adenosine turnover","Prostaglandin synthases",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","1.14.11.- Histone demethyla
ses","2.1.1.43 Histone methyltransferases (HMTs)","Neuropeptide S receptor","CD: Cysteine (C) Peptidases","CYP2 family: drug metabolising subset","CA: Cysteine (C) Peptidases","GABA<sub>A</sub> recept
ors","ABCB subfamily","Inositol monophosphatase","CYP3 family","1A. Thyroid hormone receptors","Glycoprotein hormone receptors",Lipoxygenases,"SLC28 and SLC29 families of nucleoside transporters","1F.
 Retinoic acid-related orphans","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters",Atypical,"ABCC subfamily","C14: Caspase","C19: Ubiq
uitin-specific protease","SLC29 family","Organic cation transporters (OCT)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{"DNA Repair",Metabolism,Hemostasis,"Gene expression (Transcription)",Disease,"Neuronal System","Cellular responses to external stimuli","Programmed Cell Death","Cell Cycle","Metabolism of proteins","
Signal Transduction","Developmental Biology","Transport of small molecules","Immune System","DNA Double-Strand Break Repair","Metabolism of lipids","Platelet activation","signaling and aggregation","P
latelet homeostasis","RNA Polymerase II Transcription","Infectious disease","Transmission across Chemical Synapses","Cellular responses to stress","Biological oxidations","Metabolism of amino acids an
d derivatives",Apoptosis,"Abacavir transport and metabolism","Inositol phosphate metabolism",Mitotic,"Diseases of metabolism","Post-translational protein modification","Signaling by GPCR","Nervous sys
tem development","SLC-mediated transmembrane transport","Cytokine Signaling in Immune system","Base Excision Repair","Cell Cycle Checkpoints","Metabolism of carbohydrates","Metabolism of nucleotides",
"Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Platelet Aggregation (Plug Formation)","Nitric oxide stimulates guanylate cyclase","Generic Transcription Pathwa
y","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","Uptake and actions of bacterial toxins","Phase I - Functionalization of comp
ounds","Branched-chain amino acid catabolism","Intrinsic Pathway for Apoptosis","Abacavir transmembrane transport","Synthesis of IP2",IP,"and Ins in the cytosol","Mitotic G1 phase and G1/S transition"
,"Diseases of carbohydrate metabolism",SUMOylation,"GPCR downstream signalling","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Transport of vitamins",nucleosides,"and related molecu
les","M Phase","Signaling by Interleukins","Transport of bile salts and organic acids","metal ions and amine compounds","Resolution of Abasic Sites (AP sites)","Mitotic G2-G2/M phases","G1/S DNA Damag
e Checkpoints","Glycosaminoglycan metabolism","Response to elevated platelet cytosolic Ca2+","Metabolism of steroids","Nucleotide salvage","HDR through Homologous Recombination (HRR) or Single Strand 
Annealing (SSA)","Biosynthesis of DHA-derived SPMs","cGMP effects","Transcriptional regulation by RUNX1","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events
","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Uptake and function of anthrax toxins","Transcriptional Regulation by TP53","Cytochrome P450 - arranged by substrate type"
,"Apoptotic factor-mediated response","Ethanol oxidation","GABA receptor activation","G1/S Transition","Glycogen storage diseases","SUMO E3 ligases SUMOylate target proteins","G alpha (s) signalling e
vents","Biosynthesis of DPA-derived SPMs","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane","Mitotic Metaphase and Anaphase","Interleukin-1 family signaling","
Transcriptional regulation by RUNX3","Organic cation/anion/zwitterion transport","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G2/M Transition","p53-Dependent G1/S DN
A damage checkpoint","Hyaluronan metabolism","Platelet degranulation","Bile acid and bile salt metabolism","Purine salvage","G alpha (i) signalling events","HDR through Homologous Recombination (HRR)"
,"Biosynthesis of D-series resolvins","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Anti-inflammatory response favouring Leishmania parasite infection","Post
 NMDA receptor activation events","TP53 Regulates Transcription of Cell Death Genes",Xenobiotics,"Regulation of TP53 Activity","Cytochrome c-mediated apoptotic response","Activation of the pre-replica
tive complex","Glycogen storage disease type II (GAA)","Biosynthesis of maresins","SUMOylation of intracellular receptors","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","Interleukin-1 signaling","R
UNX3 Regulates Immune Response and Cell Migration","Organic cation transport","PCNA-Dependent Long Patch Base Excision Repair","Centrosome maturation","p53-Dependent G1 DNA Damage Response","Hyalurona
n biosynthesis and export","Synthesis of bile acids and bile salts","Opioid Signalling","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Activati
on of AMPK downstream of NMDARs","TP53 Regulates Transcription of Caspase Activators and Caspases","CYP2E1 reactions","Regulation of TP53 Expression and Degradation","Activation of caspases through ap
optosome-mediated cleavage","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation
","Loss of proteins required for interphase microtubule organization from the centrosome","Stabilization of p53","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","DARPP-32 events
","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes","Autodegra
dation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{ADA,PDE10A,PDE1A,PDE1B,PDE1C,PDE2A,PDE3A,PDE3B,PDE4A,PDE4B,PDE4C,PDE4D,PDE5A,PDE6A,PDE6B,PDE6C,PDE6D,PDE6G,PDE6H,PDE7A,PDE7B,PDE8A,PDE8B,PDE9A,SLC29A1}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{58-32-2,58322,Dipyridamol,Dipyridamine,Persantin,Dipyudamine,Persantine,Curantyl,Stimolcardio,Cardoxin,Kurantil,Stenocardil,Cardioflux,Dipiridamol,Dipyridan,Peridamol,Anginal,Apricor,Coribon,Corosan,
Coroxin,Stenocardiol,Agilease,Chilco,T1618,SAM002264609,1500259,Prestw-142,Dypyridamole,CPD000058382,DIPYRIDAMOLE,Dipyridamole}

> <pdid>
PD002363

> <targets>
{}

> <classes>
{"coronary vasodilator"}

> <pubchem_cids>
{3108}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
   18.8107   -2.7548    0.0000 H   0  3
   16.3107   -2.7548    0.0000 Cl  0  5
   13.7975   -3.0842    0.0000 Cl  0  0
   13.0541   -4.3870    0.0000 C   0  0
   13.8107   -5.6823    0.0000 C   0  0
   13.0673   -6.9851    0.0000 C   0  0
   11.5673   -6.9927    0.0000 C   0  0
   10.8106   -5.6974    0.0000 C   0  0
   11.5542   -4.3946    0.0000 C   0  0
    9.3099   -5.7027    0.0000 N   0  0
    8.5644   -7.0043    0.0000 C   0  0
    7.0644   -7.0095    0.0000 C   0  0
    6.3098   -5.7131    0.0000 N   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 O   0  0
    7.0554   -4.4114    0.0000 C   0  0
    8.5554   -4.4062    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 19  1  0
 24 25  1  0
 25 17  1  0
 25 26  2  0
 13 27  1  0
 27 28  1  0
 28 10  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12169

> <plate>
PLATE 016

> <well>
B9

> <supplier_cmpd_name>
Trazodone hydrochloride

> <ctcr_id>
555

> <supplier_cmpd_id>
T1619

> <smiles>
[H+].[Cl-].Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2

> <pd_targets>
{KDM4E,ALDH1A1,HPGD,HSD17B10,HLA-A,HTR2A,ADRA2A,HRH1,HTR2B,HIF1A,ADRA1B,CYP2D6,ADRA1A,HTR1B,HTR2C,SLC6A4,HTR1A,SLC6A2,ADRA1D,ABCB11,SLC6A3,DRD2,ALB,LMNA,CHRM1,SIGMAR1,ADRA2B,DRD3,ADRA2C}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Surface antigen","Membrane receptor","Transcription factor",Transporter,"Secreted protein","Other nuclear protein",Eraser,Oxidoreductase,"Family A G protein-coupled rec
eptor","Cytochrome P450","Electrochemical transporter","Primary active transporter","Lysine demethylase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","SLC superfamily of solute
 carriers","ATP-binding cassette","Jumonji domain-containing","Monoamine receptor","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","ABCB subfamily","Serotonin receptor","Adrene
rgic receptor","Histamine receptor","Cytochrome P450 2D6","Dopamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Chromatin modifying enzymes","Eicosanoid turnover","G protein-coupled receptors","Cytochrome P450","SLC superfamily of solute carriers","ATP-bi
nding cassette transporter family","Sigma receptors","1.14.11.- Histone demethylases","Prostaglandin synthases","5-Hydroxytryptamine receptors",Adrenoceptors,"Histamine receptors","CYP2 family: drug m
etabolising subset","SLC6 neurotransmitter transporter family","ABCB subfamily","Dopamine receptors","Acetylcholine receptors (muscarinic)","Monoamine transporter subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Signal Transduction","Cellular responses to external stimuli","Neuronal System",Disease,"Cell Cycle","Biological oxidations","Metabolism of lipids","Metabolism of amino ac
ids and derivatives","Adaptive Immune System","Signaling by GPCR","Cellular responses to stress","Transmission across Chemical Synapses","Disorders of transmembrane transporters",Mitotic,"Infectious d
isease","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Class I MHC mediated antigen processing & present
ation","GPCR ligand binding","Cellular response to hypoxia","Neurotransmitter clearance","SLC transporter disorders","Metabolism of steroids","M Phase","SARS-CoV Infections","Ethanol oxidation","Biosy
nthesis of DHA-derived SPMs","Antigen processing-Cross presentation","Class A/1 (Rhodopsin-like receptors)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 
- arranged by substrate type","Serotonin clearance from the synaptic cleft","Defective SLC6A2 causes orthostatic intolerance (OI)","Bile acid and bile salt metabolism","Defective SLC6A3 causes Parkins
onism-dystonia infantile (PKDYS)","Mitotic Metaphase and Anaphase","Potential therapeutics for SARS","Biosynthesis of D-series resolvins","Endosomal/Vacuolar pathway","Amine ligand-binding receptors",
Xenobiotics,"Synthesis of bile acids and bile salts","Recycling of bile acids and salts","Mitotic Anaphase","Serotonin receptors",Adrenoceptors,"Histamine receptors","CYP2E1 reactions","Synthesis of b
ile acids and bile salts via 7alpha-hydroxycholesterol","Dopamine receptors","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA1A,ADRA2A,HRH1,HTR1A,HTR2A,HTR2B,HTR2C,SLC6A4}

> <broad_moa>
{"adrenergic receptor antagonist","serotonin receptor antagonist","serotonin reuptake inhibitor"}

> <synonyms>
{AKOS026750159,"Trazodone hydrochloride",25332-39-2,25332392,"Trazodone Hcl",Desyrel,Molipaxin,Bimaran,Thombran,"Trazodone (hydrochloride)",AF-1161,AF1161,Trialodine,UNII-6E8ZO8LRNM,UNII6E8ZO8LRNM,Ole
ptro,6E8ZO8LRNM,19666-36-5,19666365,"AF-1161 (free base)","AF1161 (free base)",C19H23Cl2N5O,T1619,SAM001247045,1503121,Prestw-292,CPD000058520,"TRAZODONE HYDROCHLORIDE"}

> <pdid>
PD009868

> <targets>
{}

> <classes>
{antidepressant}

> <pubchem_cids>
{657357,62935}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 C   0  0
   -2.5937   -6.0031    0.0000 O   0  0
    0.0042   -5.9990    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 F   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5983    3.0008    0.0000 C   0  0
   -3.8989    3.7481    0.0000 N   0  0
   -1.2134    2.9359    0.0000 C   0  0
   -1.9648    4.2341    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 10 12  2  0
  9 13  1  0
 13 14  2  0
 13 15  1  0
 15  6  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12170

> <plate>
PLATE 016

> <well>
B10

> <supplier_cmpd_name>
Pazufloxacin Mesylate

> <ctcr_id>
2822

> <supplier_cmpd_id>
T1620

> <smiles>
C[C@H]1COc2c3N1C=C(C(O)=O)C(=O)c3cc(F)c2C4(N)CC4

> <pd_targets>
{SKA,ALD,KDM4E,KMT2A,TOP2A,TOP2B,GYRA,GYRB}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Kinase,Eraser,Reader,Isomerase,"Lysine demethylase",Bromodomain,"Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","RUNX1 regulates genes involved in megakaryocyte differentiat
ion and platelet function"}

> <broad_targets>
{}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{Pazufloxacin,127045-41-4,127045414,T-3761,T3761,UNII-4CZ1R38NDI,UNII4CZ1R38NDI,4CZ1R38NDI,NCGC00167534-01,NCGC0016753401,DSSTox_CID_26697,DSSToxCID26697,DSSTox-CID-26697,"DSSTox CID 26697",DSSTox_RID
_81831,DSSToxRID81831,DSSTox-RID-81831,"DSSTox RID 81831",DSSTox_GSID_46697,DSSToxGSID46697,DSSTox-GSID-46697,"DSSTox GSID 46697","Pazufloxacin (INN)",SMR000466380,"CCRIS 7312",CAS-127045-41-4,CAS1270
45414,"T 3761",127046-18-8,127046188,PZFX,"Pazufloxacin (JAN/INN)",S,T1620,SAM001246742,"Pazufloxacin Mesylate",CPD000466380}

> <pdid>
PD002924

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{40466872,65957}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 C   0  0
   -9.0905   -0.7779    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 N   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0707   -5.2796    0.0000 C   0  0
  -10.3671   -6.0341    0.0000 C   0  0
  -11.6687   -5.2886    0.0000 C   0  0
  -12.9652   -6.0432    0.0000 C   0  0
  -11.6740   -3.7886    0.0000 C   0  0
  -12.9748   -3.0401    0.0000 N   0  0
  -12.9779   -1.5393    0.0000 C   0  0
  -14.2769   -0.7892    0.0000 N   0  0
  -14.2770    0.7108    0.0000 C   0  0
  -12.9780    1.4608    0.0000 C   0  0
  -11.6789    0.7109    0.0000 C   0  0
  -11.6789   -0.7891    0.0000 N   0  0
  -10.3792    1.4613    0.0000 C   0  0
  -10.3768    2.9613    0.0000 C   0  0
   -9.0766    3.7093    0.0000 C   0  0
   -7.7787    2.9573    0.0000 C   0  0
   -7.7811    1.4573    0.0000 N   0  0
   -9.0813    0.7093    0.0000 C   0  0
  -10.3776   -3.0341    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 23 37  2  0
 37 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12171

> <plate>
PLATE 016

> <well>
B11

> <supplier_cmpd_name>
Imatinib Mesylate

> <ctcr_id>
1820

> <supplier_cmpd_id>
T1621

> <smiles>
CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3

> <pd_targets>
{S,MAPK10,FYN,CLK1,CLK4,MAPK8,PDGFRA,DDR1,BRAF,ABL1,BCR,PDGFRB,FGR,GAK,LCK,MELK,KIT,SYK,CA7,NQO2,CDK19,KARS1,KDR,LMNA,FRK,TYK2,CA12,CA2,PLK2,PLK4,CA13,CA15,IRAK1,EPHA8,CYP3A4,ABL2,MAPK9,SRC,ABCB11,STK
17A,RAF1,DDR2,TNNI3K,MAP3K20,LYN,CSF1R,EGFR,MAPK14,CA9,CA4,CA5B,PIP4K2C,BLK,CA3,CA14,ALB,ABCB1,CA6,CA1,FLT3,CA5A,HIPK4,MAPK11,MAPK12,MAPK13,REP,RORC,TAOK1,RAD52,HRH2,SLC47A2,SLC22A3,ABCG2,SLC6A4,TBXAS
1,SLC47A1,SLC22A2,HTR2A,RET,NTRK1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transporter,"Secreted protein","Transcription factor","Membrane receptor",Kinase,Protease,Lyase,Oxidoreductase,"Cytochrome P450","Primary active transporter",Transferas
e,"Nuclear receptor","Family A G protein-coupled receptor","Electrochemical transporter","Protein Kinase","Cysteine protease","Cytochrome P450 family 3","ATP-binding cassette","Nuclear hormone recepto
r subfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 5","CMGC protein kinase group","TK protein kinase group","TKL protein kinase group
","Atypical protein kinase group","Cysteine protease CA clan","Other protein kinase group","CAMK protein kinase group","Cytochrome P450 family 3A","ABCB subfamily","Nuclear hormone receptor subfamily 
1 group F","STE protein kinase group","Monoamine receptor","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","ABCG subfamily","SLC06 
neurotransmitter transporter family","Cytochrome P450 family 5A","CMGC protein kinase MAPK family","Tyrosine protein kinase Src family","CMGC protein kinase CLK family","Tyrosine protein kinase PDGFR 
family","Tyrosine protein kinase DDR family","TKL protein kinase RAF family","Atypical protein kinase BCR family","Cysteine protease C1A family","Tyrosine protein kinase Abl family","Other protein kin
ase NAK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Syk family","CMGC protein kinase CDK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase JakA family","O
ther protein kinase PLK family","TKL protein kinase IRAK family","Tyrosine protein kinase Eph family","Cytochrome P450 3A4","CAMK protein kinase DAPK family","TKL protein kinase MLK family","Tyrosine 
protein kinase EGFR family","CMGC protein kinase DYRK family","Nuclear hormone receptor subfamily 1 group F member 3","STE protein kinase STE20 family","Histamine receptor","Cytochrome P450 5A1","Sero
tonin receptor","Tyrosine protein kinase Trk family","CMGC protein kinase JNK subfamily","Tyrosine protein kinase SrcA","CAMK protein kinase MELK subfamily","CMGC protein kinase CDK8 subfamily","Other
 protein kinase PLK2","TKL protein kinase HH498 subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase TAO subfamily
"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,Transporters,"Anti-infective targets","Kinases (EC 2.7.x.x)","Catalytic receptors","Carbonic anhydrases","Cytochrome P450","ATP-binding cassette transporter 
family","Nuclear hormone receptors","G protein-coupled receptors","SLC superfamily of solute carriers","Viral protein targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CAMK:
 Calcium/calmodulin-dependent protein kinases","CYP3 family","ABCB subfamily","Lipid modifying kinases","1F. Retinoic acid-related orphans","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 
kinases","Histamine receptors","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","ABCG subfamily","SLC6 neurotransmitter transporter 
family",CYP5,"CYP7 and CYP8 families","5-Hydroxytryptamine receptors",Atypical,"Coronavirus (CoV) proteins","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","CLK family","TKL: T
yrosine kinase-like","Other protein kinases","CAMK-like (CAMKL) family","Cyclin-dependent kinase (CDK) family","Death-associated kinase (DAPK) family","Type II PIP kinases (1-phosphatidylinositol-5-ph
osphate 4-kinase family)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE20 family","Organic cation transporters (OCT)","Monoamine transporter subfamily","BCR famil
y","JNK subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","RAF family","Numb-associated kinase (NAK) family","MELK subfamily","CDK8 subfamily","Polo-like kinase (PL
K) family","Interleukin-1 receptor-associated kinase (IRAK) family","Mixed Lineage Kinase (MLK) family","p38 subfamily","HIPK subfamily","TAO subfamily","Src family","Type III RTKs: PDGFR",CSFR,Kit,"F
LT3 receptor family","Type XVI RTKs: DDR (collagen receptor) family","Abl family","Syk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Janus kinase (JakA) family","T
ype XIII RTKs: Ephrin receptor family","HH498 subfamily","MLK subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family"}

> <pathway_reactome>
{Disease,"Immune System","Extracellular matrix organization","Signal Transduction","Vesicle-mediated transport",Metabolism,"Metabolism of proteins","Cell Cycle","Transport of small molecules","Develop
mental Biology","Gene expression (Transcription)","Cellular responses to external stimuli","DNA Repair","Neuronal System","Infectious disease","Innate Immune System","Diseases of signal transduction b
y growth factor receptors and second messengers","Non-integrin membrane-ECM interactions","Signaling by Receptor Tyrosine Kinases","Membrane Trafficking","Intracellular signaling by second messengers"
,"Reversible hydration of carbon dioxide","Biological oxidations","Metabolism of lipids",Translation,Mitotic,"Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","Nervous system dev
elopment","MAPK family signaling cascades","RNA Polymerase II Transcription","Signaling by GPCR","Cellular responses to stress","Abacavir transport and metabolism","DNA Double-Strand Break Repair","SL
C-mediated transmembrane transport","Transmission across Chemical Synapses","SARS-CoV Infections","Toll-like Receptor Cascades","HIV Infection","Signaling by PDGFR in disease","Signaling by NTRKs","Le
ishmania infection","trans-Golgi Network Vesicle Budding","Signaling by KIT in disease","PIP3 activates AKT signaling","Phase I - Functionalization of compounds","Regulation of lipid metabolism by PPA
Ralpha","tRNA Aminoacylation","Signaling by VEGF","M Phase","Interferon Signaling","Erythrocytes take up carbon dioxide and release oxygen","Mitotic G2-G2/M phases","Axon guidance","Biosynthesis of sp
ecialized proresolving mediators (SPMs)","Metabolism of steroids","MAPK1/MAPK3 signaling","Generic Transcription Pathway","GPCR downstream signalling","Cellular response to hypoxia","Abacavir transmem
brane transport","Signaling by Interleukins","Signaling by Insulin receptor","Homology Directed Repair","Transport of bile salts and organic acids","metal ions and amine compounds","Neurotransmitter c
learance","GPCR ligand binding","Signaling by FGFR in disease","SARS-CoV-1 Infection","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Drug resistance of PDGFR mutants","Signa
ling by NTRK1 (TRKA)","Parasite infection","Leishmania parasite growth and survival","Golgi Associated Vesicle Biogenesis","Drug resistance of KIT mutants","Negative regulation of the PI3K/AKT network
","PPARA activates gene expression","Cytosolic tRNA aminoacylation","VEGFA-VEGFR2 Pathway","Mitotic Metaphase and Anaphase","PTEN Regulation","Interferon alpha/beta signaling","G2/M Transition","EPH-E
phrin signaling","Biosynthesis of DHA-derived SPMs","Signaling by ROBO receptors","Bile acid and bile salt metabolism","RAF/MAP kinase cascade","Transcriptional Regulation by VENTX","G alpha (q) signa
lling events","Regulation of gene expression by Hypoxia-inducible Factor","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX1","Interleukin-12 family signaling","Insulin receptor
 signalling cascade","Transcriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Organic cation/anion/zwitterion transport","Serotonin clearanc
e from the synaptic cleft","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Signaling by FGFR1 in disease","Translation of structural proteins","MyD88 cascade ini
tiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Imatinib-resistant PDGFR mutants","Signalling to ERKs","Leishmania phagocytosis","Anti-inflammatory response
 favouring Leishmania parasite infection","Dasatinib-resistant KIT mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","VEGFR2 mediated cell proliferation","Mitotic Anaphase","Regulation of PTEN
 stability and activity","Regulation of IFNA signaling","Centrosome maturation","EPHA-mediated growth cone collapse","Biosynthesis of maresins","Role of ABL in ROBO-SLIT signaling","Synthesis of bile 
acids and bile salts","Negative regulation of MAPK pathway","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of TP53 Activity","RUNX1 regulates transcription of genes involved in BCR sig
naling","Recycling of bile acids and salts","Interleukin-12 signaling","IRS-mediated signalling","SARS-CoV-1 Genome Replication and Transcription","RUNX3 Regulates Immune Response and Cell Migration",
"HDR through Single Strand Annealing (SSA)","Organic cation transport",Eicosanoids,"Amine ligand-binding receptors","FGFR1 mutant receptor activation","Maturation of spike protein","MAP kinase activat
ion","Nef and signal transduction","Prolonged ERK activation events","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 synthesis","Nef-mediates down modulation of cell surface receptors by recruiti
ng them to clathrin adapters","Nuclear Envelope (NE) Reassembly","CD163 mediating an anti-inflammatory response","Loss of proteins required for interphase microtubule organization from the centrosome"
,"Biosynthesis of maresin-like SPMs","Signalling to RAS","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Negative feedback regulation of MAPK pathway","EGFR Transactivation by 
Gastrin","Regulation of TP53 Activity through Acetylation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","PI3K Cascade","Replication of the SARS-CoV-1 genome","S
eparation of Sister Chromatids","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors","Signaling by cytosolic FGFR1 fusion mutants","MAPK targets/ Nuclear events mediated by 
MAP kinases","ARMS-mediated activation","Nef Mediated CD4 Down-regulation","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK ac
tivation","p38MAPK events","PI5P Regulates TP53 Acetylation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,CSF1R,DDR1,KIT,NTRK1,PDGFRA,PDGFRB,RET}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{Imatinib,152459-95-5,152459955,STI571,Glivec,"Imatinib (STI571)",sti-571,sti571,"Imatinib free base","Cgp 57148","STI 571",UNII-BKJ8M8G5HI,UNIIBKJ8M8G5HI,"Imatinib Methansulfonate",CGP-57148,CGP57148
,"152459-95-5 (free base)","152459955 (free base)",BKJ8M8G5HI,CHEMBL941,CHEBI:45783,NSC743414,"Imatinib (INN:BAN",T6230,743414,S2475,Prestw-1290,"NSC 743414",imatinib,Imatinib(STI571),IMATINIB,"Imatin
ib mesylate"}

> <pdid>
PD001319

> <targets>
{c-Kit,KIT,ABL,VEGFR-PDGFR,PDGFR}

> <classes>
{"Tyrosine kinase inhibitor"}

> <pubchem_cids>
{5291}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 34  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 S   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.1032   -2.4253    0.0000 O   0  0
   -6.2524    0.2436    0.0000 N   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -5.5608    2.8298    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 N   0  0
   11.5876   -0.8402    0.0000 O   0  0
   11.5876   -2.3402    0.0000 C   0  0
   10.2883   -3.0898    0.0000 O   0  0
   12.8875   -3.0902    0.0000 C   0  0
   14.1875   -2.3402    0.0000 C   0  0
   14.1890   -0.8394    0.0000 C   0  0
   12.8904   -0.0886    0.0000 O   0  0
   15.4882   -0.0898    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
  9 18  1  0
 18 19  2  0
 19  6  1  0
  2 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12172

> <plate>
PLATE 016

> <well>
C2

> <supplier_cmpd_name>
Rosiglitazone maleate

> <ctcr_id>
6132

> <supplier_cmpd_id>
T1622

> <smiles>
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Rosiglitazone maleate",155141-29-0,155141290,Avandia,"Rosiglitazone (maleate)","BRL 49653C",BRL-49653C,BRL49653C,Avandamet,BRL-49653-C,Nyracta,"Rosiglitazone XR","Rosiglitazone Maleate (USAN)",Venvi
a,CHEBI:8892,"BRL 49653-C",SMR000471612,"Avandia (TN)",SB-20684,SB20684,T1622,SAM001246610,CPD000471612}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5281055,25058199,11328950}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  1  0            999 V2000
    0.3296   -1.9396    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    2.2393   -0.8534    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0  1  0  0  0
    0.0000    1.2760    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0  1  0  0  0
   -2.0931    1.6049    0.0000 C   0  0
   -0.8796    2.4866    0.0000 C   0  0
   -0.6449    3.9681    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 S   0  0
   -0.3296   -1.9396    0.0000 O   0  0
   -2.2393   -0.8534    0.0000 O   0  0
    2.6394    0.8543    0.0000 C   0  0
    2.9538    2.3210    0.0000 O   0  0
    3.7527   -0.1510    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  7  8  1  0
  8  5  1  0
  8  9  2  0
  6 10  1  0
 10  2  1  0
 10 11  2  0
 10 12  2  0
  4 13  1  1
 13 14  1  0
 13 15  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12173

> <plate>
PLATE 016

> <well>
C3

> <supplier_cmpd_name>
Sulbactam

> <ctcr_id>
2348

> <supplier_cmpd_id>
T1631

> <smiles>
CC1(C)[C@@H](N2[C@@H](CC2=O)[S]1(=O)=O)C(O)=O

> <pd_targets>
{BLAUOE-1,BLA,AMPC,BLASCO-1,BCL1,ADC-14,BLAY,ADC-16,BLAGES-13,SHV-11,BLA(BEL1),BLAZ,ADC-18,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Hydrolase,Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"beta lactamase inhibitor"}

> <synonyms>
{RESTW134,SULBACTAM,68373-14-8,68373148,"sulbactam acid",Betamaze,"Penicillanic Acid Sulfone",Sulbactamum,"penicillanic acid 1,1-dioxide","penicillanic acid 1,1dioxide",UNII-S4TF6I2330,UNIIS4TF6I2330,
"CP 45899",MFCD00867005,CHEMBL403,CP-45899,CP45899,"CP-45,899","CP45,899",CHEBI:9321,S4TF6I2330,"Sulbactam;Penicillanic acid su",T1631,S1958,Prestw-1345,Sulbactam,"Sulbactam sodium"}

> <pdid>
PD001675

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{130313}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
   -1.3000   -8.2636    0.0000 F   0  0
   -0.0021   -7.5115    0.0000 C   0  0
   -0.0045   -6.0115    0.0000 C   0  0
    1.2934   -5.2595    0.0000 C   0  0
    2.5937   -6.0074    0.0000 C   0  0
    2.5960   -7.5075    0.0000 C   0  0
    1.2981   -8.2595    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 N   0  0
    5.1925   -3.0070    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 19  1  0
 23 24  2  0
 24 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12174

> <plate>
PLATE 016

> <well>
C4

> <supplier_cmpd_name>
Paroxetine hydrochloride

> <ctcr_id>
7056

> <supplier_cmpd_id>
T1636

> <smiles>
Fc1ccc(cc1)C2CCNCC2COc3ccc4OCOc4c3

> <pd_targets>
{KMT2A,MEN1,TGR,KCNH2,SLC6A2,HTR1A,HTR2A,HTR3A,SLC6A4,SLC6A3,ADRA1A,CYP3A4,P2RX4,GRK2,MPO,ADRA2A,ADRA2C,CHRM2,CHRM1,CHRM5,ADRA2B,CHRM3,ADRA1B,ADRA1D,NORA,CYP2D6,CHRM4,THPO,CYP1A2,NFKB1,MAPK1,LMNA,TP53
,NET,PMP22,ABCB11,RORC,TACR1,MTOR,SIGMAR1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,ABCB1,ADRB1,ADRB2,ADRB3,DRD2,HRH1,HTR2B,DRD1,DRD5}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Ion channel",Transporter,"Membrane receptor","Unclassified protein","Other cytosolic protein","Other nuclear protein","Transcription factor",Reader,"Voltage-gated ion c
hannel","Electrochemical transporter","Family A G protein-coupled receptor","Ligand-gated ion channel","Cytochrome P450",Kinase,Oxidoreductase,"Primary active transporter","Nuclear receptor",Bromodoma
in,"Potassium channels","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","5HT3 receptor","Cytochrome P450 family 3","P2X receptor","Protein Kinase","Cytochrome P450 famil
y 2","Cytochrome P450 family 1","ATP-binding cassette","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Voltage-gated calcium channel","Voltage-gated potassium channel","SLC0
6 neurotransmitter transporter family","Monoamine receptor","Cytochrome P450 family 3A","AGC protein kinase group","Cytochrome P450 family 2D","Cytochrome P450 family 1A","CMGC protein kinase group","
ABCB subfamily","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Serotonin receptor","Adrenergic receptor","Cytochrome P450 3A4"
,"AGC protein kinase GRK family","Acetylcholine receptor","Cytochrome P450 2D6","Cytochrome P450 1A1","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Neuroki
nin receptor","Atypical protein kinase PIKK family","Dopamine receptor","Histamine receptor","AGC protein kinase BARK subfamily","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Ion channels",Receptors,Transporters,Enzymes,"Other protein targets","Voltage-gated ion channels","G protein-coupled receptors","Ligand-gated ion channels","SLC superfamily of solute carriers","Cyto
chrome P450","Kinases (EC 2.7.x.x)","1.-.-.- Oxidoreductases","ATP-binding cassette transporter family","Nuclear hormone receptors","Sigma receptors","Potassium channels","5-Hydroxytryptamine receptor
s","5-HT<sub>3</sub> receptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"CYP3 family","P2X receptors","AGC: Containing PKA",PKG,"PKC families","Acetylcholine receptors (muscarinic)","
CYP2 family: drug metabolising subset","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","ABCB subfamily","1F. Retinoic acid-related orphans","Tachykinin receptors",Atypical,"Dopamine rece
ptors","Histamine receptors","Voltage-gated potassium channels","Monoamine transporter subfamily","G protein-coupled receptor kinases (GRKs)","Mitogen-activated protein kinases (MAP kinases)","Phospha
tidyl inositol 3' kinase-related kinases (PIKK) family","Beta-adrenergic receptor kinases (&beta;ARKs)","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{"Muscle contraction","Signal Transduction","Neuronal System",Disease,Metabolism,"Immune System",Hemostasis,"Cell Cycle","Developmental Biology","Gene expression (Transcription)","Cardiac conduction",
"Signaling by GPCR","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Metabolism of lipids","Infectious disease","Intracellular signaling by second messengers","Innate
 Immune System","Biological oxidations","Platelet activation","signaling and aggregation","Cytokine Signaling in Immune system",Mitotic,"Cell Cycle Checkpoints","Nervous system development","RNA Polym
erase II Transcription","Abacavir transport and metabolism","Phase 3 - rapid repolarisation","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","Neurotransmitter c
learance","SLC transporter disorders","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","DAG and IP3 signaling","ROS and RNS production in phagocytes","Phase I - Funct
ionalization of compounds","Platelet Aggregation (Plug Formation)","Signaling by Interleukins","Toll-like Receptor Cascades","M Phase","G1/S DNA Damage Checkpoints","EGR2 and SOX10-mediated initiation
 of Schwann cell myelination","Metabolism of steroids","Generic Transcription Pathway","SARS-CoV Infections","Abacavir transmembrane transport","Class A/1 (Rhodopsin-like receptors)","Serotonin cleara
nce from the synaptic cleft","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Biosynthesis of DHA-derived SPMs","Cell recruitment (pro-inflammatory response)","CaM pathway","Events a
ssociated with phagocytolytic activity of PMN cells","Defective SLC6A2 causes orthostatic intolerance (OI)","Cytochrome P450 - arranged by substrate type","Interleukin-1 family signaling","Toll Like R
eceptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","p53-Dependent G1/S DNA damage checkpoint","Bile acid and bile salt metabolism","Transcriptional regulation by RUNX3","Transcriptional Regula
tion by TP53","Potential therapeutics for SARS","Amine ligand-binding receptors","Biosynthesis of maresins","Purinergic signaling in leishmaniasis infection","Calmodulin induced events",Xenobiotics,"I
nterleukin-1 signaling","MyD88 cascade initiated on plasma membrane","Mitotic Anaphase","p53-Dependent G1 DNA Damage Response","Synthesis of bile acids and bile salts","RUNX3 Regulates Immune Response
 and Cell Migration","Peptide ligand-binding receptors","Regulation of TP53 Activity","Serotonin receptors",Adrenoceptors,"Biosynthesis of maresin-like SPMs","Muscarinic acetylcholine receptors","CYP2
E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activation","MAP kinase activation","Nuclear Envelope (NE) Reassembly","Stabilization 
of p53","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Tachykinin receptors bind tachykinins","Regulation of TP53 Expression and Degradation","Dopamine receptors","Histamine r
eceptors","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","E
RK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,HTR2A,SLC6A2,SLC6A4}

> <broad_moa>
{"selective serotonin reuptake inhibitor (SSRI)"}

> <synonyms>
{"3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine","3(1,3benzodioxol5yloxymethyl)4(4fluorophenyl)piperidine","3-((1,3-Benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine","3((1,3Be
nzodioxol5yloxy)methyl)4(4fluorophenyl)piperidine",Frosinor,Motivan,Paxetil,PaxPar,NCGC00182968-01,NCGC0018296801,paroxetinehydrochloride,"Seroxat (Salt/Mix)",3-((2H-1,3((2H1,3-benzo,3benzo,T1636,SAM0
02548935,"Paroxetine hydrochloride",CPD001453706}

> <pdid>
PD002925

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4691}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 44 42  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 N   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 N   0  0
   11.6999    0.7500    0.0000 C   0  0
   11.6999    2.2500    0.0000 O   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   15.5999   -1.5000    0.0000 O   0  0
   16.8999    0.7500    0.0000 N   0  0
   16.8999    2.2500    0.0000 O   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 C   0  0
   22.0998    0.7500    0.0000 C   0  0
   23.3998    0.0000    0.0000 C   0  0
   24.6998    0.7500    0.0000 N   0  0
   25.9998    0.0000    0.0000 C   0  0
   25.9998   -1.5000    0.0000 O   0  0
   27.2998    0.7500    0.0000 C   0  0
   28.5998    0.0000    0.0000 C   0  0
   29.8998    0.7500    0.0000 C   0  0
   29.8998    2.2500    0.0000 O   0  0
   31.1998    0.0000    0.0000 N   0  0
   31.1998   -1.5000    0.0000 O   0  0
   32.4998    0.7500    0.0000 C   0  0
   33.7997    0.0000    0.0000 C   0  0
   35.0997    0.7500    0.0000 C   0  0
   36.3997    0.0000    0.0000 C   0  0
   37.6997    0.7500    0.0000 C   0  0
   38.9990    0.0004    0.0000 N   0  0
   42.7997    1.8750    0.0000 C   0  0
   42.7997    0.3750    0.0000 S   0  0
   42.7997   -1.1250    0.0000 O   0  0
   41.5004   -0.3746    0.0000 O   0  0
   44.0990   -0.3746    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 40 41  1  0
 41 42  1  0
 41 43  2  0
 41 44  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12175

> <plate>
PLATE 016

> <well>
C5

> <supplier_cmpd_name>
Deferoxamine Mesylate

> <ctcr_id>
2205

> <supplier_cmpd_id>
T1637

> <smiles>
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.C[S](O)(=O)=O

> <pd_targets>
{KDM4E,FFP,GAA,LMNA,ALD,RGS7,RGS8,RGS19,RGS16,RGS4,DOHH,HIF1A}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other nuclear protein","Unclassified protein","Other cytosolic protein","Transcription factor",Eraser,Transferase,Hydrolase,Oxidoreductase,"Lysine demethylase","Jumonji
 domain-containing"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","3.2.1.- Glycosidases","Regulators of G protein Signaling (RGS) proteins","1.14.11.- Histone demethylases","R7 family","R4 family","RZ fa
mily"}

> <pathway_reactome>
{Disease,"Cell Cycle","Metabolism of proteins","Signal Transduction","Cellular responses to external stimuli","Diseases of metabolism",Mitotic,"Protein folding","Signaling by GPCR","Post-translational
 protein modification","Cellular responses to stress","Diseases of carbohydrate metabolism","M Phase","Chaperonin-mediated protein folding","GPCR downstream signalling","Gamma carboxylation","hypusine
 formation and arylsulfatase activation","Cellular response to hypoxia","Glycogen storage diseases","Mitotic Metaphase and Anaphase","Cooperation of PDCL (PhLP1) and TRiC/CCT in G-protein beta folding
","G alpha (i) signalling events","Hypusine synthesis from eIF5A-lysine","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Glycogen storage disease type II (GAA)","Mitotic An
aphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"chelating agent"}

> <synonyms>
{"Deferoxamine mesylate",138-14-7,138147,"138 14 7","Desferrioxamine B mesylate",Desferal,"Deferoxamine mesilate","Desferrioxamine mesylate","Deferoxamine B mesylate","Deferoxamine (mesylate)","Defero
xamine methanesulfonate",Desfer,T1637,1500224,Prestw-725,"Deferoxamine Mesylate","DEFEROXAMINE MESYLATE"}

> <pdid>
PD009835

> <targets>
{}

> <classes>
{"chelating agent (Fe & Al)"}

> <pubchem_cids>
{44229148,62881,24883429}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 N   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -7.7942    1.4999    0.0000 N   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -7.7934   -1.5031    0.0000 C   0  0
   -9.0937   -0.7554    0.0000 O   0  0
   -7.7912   -3.0031    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15  9  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  7  1  0
 18 19  2  0
 19  4  1  0
 13 20  1  0
 20 21  1  0
 20 22  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12176

> <plate>
PLATE 016

> <well>
C6

> <supplier_cmpd_name>
Amlexanox

> <ctcr_id>
533

> <supplier_cmpd_id>
T1639

> <smiles>
CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O

> <pd_targets>
{KDM4E,PYK,RORC,TBK1,IKBKE,GAA,PKM,RAB9A,ALD,NPC1,GPR35,ABCC4,PDE4A,PDE4B,PDE4C,PDE4D,S100A12,S100A13,IL3,FGF1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor",Transporter,"Membrane receptor","Secreted protein",Eraser,Transferase,"Nuclear receptor",Kinase,Hydrolase,"Family A G protein-coupled receptor","P
rimary active transporter",Phosphodiesterase,"Lysine demethylase","Nuclear hormone receptor subfamily 1","Protein Kinase","Small molecule receptor (family A GPCR)","ATP-binding cassette","Phosphodiest
erase 4","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Other protein kinase group","Carboxylic acid receptor","ABCC subfamily","Phosphodiesterase 4A","Nuclear hormone rec
eptor subfamily 1 group F member 3","Other protein kinase IKK family","Kynurenic acid receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","Nuclear hormone receptors","Catalytic receptors","3.2.1.- Glycosidases","2.7.1.40 Pyruvate kinases","SLC superfamily of solute carriers",
"G protein-coupled receptors","ATP-binding cassette transporter family","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","Receptor kinases","SLC65 NPC-type cholesterol transporters
","Orphan and other 7TM receptors","ABCC subfamily","Other protein kinases","Class A Orphans","IKK family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System",Disease,Metabolism,"Signal Transduction","Transport of small molecules",Hemostasis,"RNA Polymerase II Transcription","Innate Immune System","Diseases
 of metabolism","Metabolism of carbohydrates","Signaling by Rho GTPases","Plasma lipoprotein assembly",remodeling,"and clearance","Signaling by GPCR","Platelet activation","signaling and aggregation",
"Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","Toll-like Receptor Cascades","Diseases of carbohydrate metabolism","Glucose metaboli
sm","Rho GTPase cycle","Plasma lipoprotein clearance","GPCR ligand binding","Response to elevated platelet cytosolic Ca2+","Signaling by FGFR in disease","Transcriptional regulation by RUNX3","Toll Li
ke Receptor 4 (TLR4) Cascade","Glycogen storage diseases",Glycolysis,"RHOBTB GTPase Cycle","LDL clearance","Class A/1 (Rhodopsin-like receptors)","Platelet degranulation","Toll Like Receptor 5 (TLR5) 
Cascade","Transcriptional regulation by RUNX1","Signaling by FGFR3 in disease","RUNX3 Regulates Immune Response and Cell Migration","MyD88-independent TLR4 cascade","Glycogen storage disease type II (
GAA)","RHOBTB3 ATPase cycle","MyD88 cascade initiated on plasma membrane","RUNX1 regulates transcription of genes involved in interleukin signaling","Signaling by FGFR3 point mutants in cancer","TRIF(
TICAM1)-mediated TLR4 signaling","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","FGFR3 mutant receptor activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Sign
aling by activated point mutants of FGFR3"}

> <broad_targets>
{FGF1,IL3,PDE4A,PDE4B,PDE4C,PDE4D,S100A12,S100A13}

> <broad_moa>
{"histamine receptor modulator"}

> <synonyms>
{amlexanox,68302-57-8,68302578,Amoxanox,Aphthasol,"2-Amino-7-isopropyl-5-oxo-5H-chromeno(2,3-b)pyridine-3-carboxylic acid","2Amino7isopropyl5oxo5Hchromeno(2,3b)pyridine3carboxylic acid",Amlenanox,"Aml
exanoxum (Latin)",AA-673,AA673,"Amlexanoxo (Spanish)",Amlexanoxo,Amlexanoxum,"CHX 3673","AA 673",CHX-3673,CHX3673,UNII-BRL1C2459K,UNIIBRL1C2459K,2,T1639,SAM001246669,Amlexanox,CPD000466352}

> <pdid>
PD001296

> <targets>
{"Immunology & Inflammation related",IKK}

> <classes>
{NF-ºB}

> <pubchem_cids>
{2161}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 C   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 C   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
   -2.6110  -12.0005    0.0000 S   0  0
   -1.3117  -12.7501    0.0000 O   0  0
   -2.6103  -13.5005    0.0000 O   0  0
   -3.9102  -12.7517    0.0000 N   0  0
   -3.9103  -14.2526    0.0000 C   0  0
   -2.6110  -15.0022    0.0000 O   0  0
   -5.2096  -15.0038    0.0000 N   0  0
   -5.2096  -16.5046    0.0000 C   0  0
   -6.5071  -17.2573    0.0000 C   0  0
   -6.5041  -18.7573    0.0000 C   0  0
   -5.2035  -19.5047    0.0000 C   0  0
   -3.9060  -18.7521    0.0000 C   0  0
   -3.9090  -17.2521    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  2  0
 21 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12177

> <plate>
PLATE 016

> <well>
C7

> <supplier_cmpd_name>
Glyburide

> <ctcr_id>
6831

> <supplier_cmpd_id>
T1634

> <smiles>
COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCCC3

> <pd_targets>
{CYP2C19,BLM,RORC,CYP2C9,ABCB11,CISD1,KCNH2,LMNA,TSHR,HIF1A,PMP22,NS1,ALD,CYP3A4,PPARG,KCNK2,MAPT,KCNJ11,ABCC9,ALDH1A1,CYP2D6,NLRP3,CHRM1,CFTR,CYP1A2,SLC22A7,SLCO1B1,SLC22A6,ABCC3,ABCC8,SLC15A1,SLC15A
2,ABCC4,SLCO2B1,KCNJ8,ABCA1,CPT1A,TRPM4}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Transporter,"Unclassified protein","Ion channel","Other nuclear protein","Membrane receptor","Other cytosolic protein","Cytochrome P450","Nuclear receptor","Primary acti
ve transporter","Voltage-gated ion channel","Family A G protein-coupled receptor",Oxidoreductase,"Other ion channel","Electrochemical transporter",Transferase,"Cytochrome P450 family 2","Nuclear hormo
ne receptor subfamily 1","ATP-binding cassette","Potassium channels","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Chloride channel","Cytochr
ome P450 family 1","SLC superfamily of solute carriers","Transient receptor potential channel","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","ABCB subfamily","Voltage-gate
d potassium channel","Glycohormone receptor","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group C","Two-pore domain potassium channel","Inwardly rectifying potassium channel","Cyt
ochrome P450 family 2D","Monoamine receptor","Cystic fibrosis transmembrane conductance regulator","Cytochrome P450 family 1A","SLC22 family of organic cation and anion transporters","SLC21/SLCO famil
y of organic anion transporting polypeptides","ABCC subfamily","SLC15 family of peptide transporters","ABCA subfamily","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","C
ytochrome P450 2C9","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group C member 3","Cytochrome P450 2D6","Acetylcholine receptor","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","Nuclear hormone receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","G protein-coupled receptors","Catal
ytic receptors","Other ion channels","SLC superfamily of solute carriers","CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","ABCB subfamily","Potassium channels","Glycoprotei
n hormone receptors","CYP3 family","1C. Peroxisome proliferator-activated receptors","Pattern recognition receptors","Acetylcholine receptors (muscarinic)","Chloride channels","CYP1 family","SLC22 fam
ily of organic cation and anion transporters","SLCO family of organic anion transporting polypeptides","ABCC subfamily","SLC15 family of peptide transporters","ABCA subfamily","Transient Receptor Pote
ntial channels","Voltage-gated potassium channels","Two P domain potassium channels","Inwardly rectifying potassium channels","NOD-like receptor family",CFTR,"Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Gene expression (Transcription)","Muscle contraction","Cell Cycle",Disease,"Cellular responses to external stimuli","Developmental Biology","Neuronal System","Signal Transduc
tion",Autophagy,"Transport of small molecules",Hemostasis,"Biological oxidations","DNA Double-Strand Break Repair","RNA Polymerase II Transcription","Metabolism of lipids","Cardiac conduction",Mitotic
,"Infectious disease","Cellular responses to stress","Nervous system development","Potassium Channels","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Signaling by G
PCR",Macroautophagy,"SLC-mediated transmembrane transport","Platelet activation","signaling and aggregation","Ion channel transport","Phase I - Functionalization of compounds","Homology Directed Repai
r","Generic Transcription Pathway","Metabolism of steroids","Phase 3 - rapid repolarisation","M Phase","Leishmania infection","Cellular response to hypoxia","EGR2 and SOX10-mediated initiation of Schw
ann cell myelination","Biosynthesis of specialized proresolving mediators (SPMs)","Tandem pore domain potassium channels","Neurotransmitter receptors and postsynaptic signal transmission","ABC transpo
rter disorders","GPCR ligand binding","Selective autophagy","Transport of bile salts and organic acids","metal ions and amine compounds","Transport of inorganic cations/anions and amino acids/oligopep
tides","Response to elevated platelet cytosolic Ca2+","Transport of vitamins",nucleosides,"and related molecules","Inwardly rectifying K+ channels","Fatty acid metabolism","Stimuli-sensing channels","
Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","
Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Transcriptional
 Regulation by MECP2","TWIK related potassium channel (TREK)","Activation of NMDA receptors and postsynaptic events","Defective ABCC8 can cause hypo- and hyper-glycemias","Ethanol oxidation","Cell rec
ruitment (pro-inflammatory response)","Class A/1 (Rhodopsin-like receptors)",Aggrephagy,"Organic cation/anion/zwitterion transport","Proton/oligopeptide cotransporters","Platelet degranulation","Trans
port of organic anions","ATP sensitive Potassium channels","Defective ABCC9 causes CMD10","ATFB12 and Cantu syndrome","Defective ABCA1 causes TGD","Carnitine metabolism","TRP channels",Xenobiotics,"HD
R through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cell Migration","Synthesis of bile acids and bile salts","Mitotic Anaphase","Anti-inflammatory response favouring Leishma
nia parasite infection","Biosynthesis of maresins","MECP2 regulates transcription factors","Post NMDA receptor activation events","Purinergic signaling in leishmaniasis infection","Amine ligand-bindin
g receptors","Organic anion transport","Recycling of bile acids and salts","CYP2E1 reactions","Homologous DNA Pairing and Strand Exchange","Synthesis of bile acids and bile salts via 7alpha-hydroxycho
lesterol","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Muscarinic acetylc
holine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"
}

> <broad_targets>
{ABCA1,ABCB11,ABCC8,ABCC9,CFTR,CPT1A,KCNJ1,KCNJ11,KCNJ5,KCNJ8,SLCO2B1}

> <broad_moa>
{"ATP channel blocker","insulin secretagogue",sulfonylurea}

> <synonyms>
{glyburide,Glibenclamide,10238-21-8,10238218,Glybenclamide,Glynase,Micronase,Diabeta,Daonil,Euglucon,Maninil,Semi-daonil,Semidaonil,Apo-Glibenclamide,ApoGlibenclamide,"Euglucon 5",Azuglucon,Bastiverit
,Benclamin,Betanase,Duraglucon,Euglucan,Euglykon,Glibenil,Glucolon,Orabetic,Prodiab,T1634,SAM002564212,2300229,Prestw-316,Glyburide,CPD000058229,GLYBURIDE}

> <pdid>
PD000061

> <targets>
{Autophagy,CFTR,P-glycoprotein,Potassium Channel}

> <classes>
{antihyperglycemic,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{3488}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 41  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.6003    1.4978    0.0000 C   0  0
    3.8990    0.7455    0.0000 C   0  0
    5.2003    1.4932    0.0000 C   0  0
    5.2029    2.9932    0.0000 C   0  0
    6.4990    0.7410    0.0000 C   0  0
    7.8003    1.4887    0.0000 C   0  0
    9.0990    0.7365    0.0000 C   0  0
   10.4003    1.4842    0.0000 C   0  0
   10.4029    2.9842    0.0000 C   0  0
   11.6989    0.7320    0.0000 C   0  0
   13.0002    1.4797    0.0000 C   0  0
   14.2989    0.7275    0.0000 C   0  0
   15.6002    1.4752    0.0000 C   0  0
   16.8989    0.7229    0.0000 C   0  0
   16.8963   -0.7770    0.0000 C   0  0
   18.2002    1.4707    0.0000 C   0  0
   19.4989    0.7184    0.0000 C   0  0
   20.8002    1.4662    0.0000 C   0  0
   22.0989    0.7139    0.0000 C   0  0
   22.0962   -0.7861    0.0000 C   0  0
   23.4001    1.4617    0.0000 C   0  0
   24.6988    0.7094    0.0000 C   0  0
   26.0001    1.4572    0.0000 C   0  0
   26.0002    2.9572    0.0000 C   0  0
   24.7012    3.7073    0.0000 C   0  0
   27.2993    3.7072    0.0000 C   0  0
   28.5983    2.9572    0.0000 C   0  0
   28.5983    1.4572    0.0000 C   0  0
   27.2992    0.7072    0.0000 C   0  0
   25.9828   -0.0119    0.0000 C   0  0
   28.6155   -0.0121    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    1.3164    2.2191    0.0000 C   0  0
   -1.3163    2.2193    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  3
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 26  1  0
 32 33  1  0
 32 34  1  0
  3 35  1  0
 35 36  1  0
 35 37  1  0
 35 38  1  0
 38 39  1  0
 39 40  1  0
 40  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12178

> <plate>
PLATE 016

> <well>
C8

> <supplier_cmpd_name>
Beta-Carotene

> <ctcr_id>
3606

> <supplier_cmpd_id>
T1633

> <smiles>
CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1

> <pd_targets>
{ALDH1A1,LMNA,SLCO1B3,SLCO1B1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transporter,Oxidoreductase,"Electrochemical transporter","SLC superfamily of solute carriers","SLC21/SLCO family of organic anion transporting polypeptides"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLCO family of organic anion transporting polypeptides"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Biological oxidations",Mitotic,"Metabolism of lipids","Phase I - Functionalization of compounds","M Phase","Metabolism of steroids","Ethanol oxidation","Mitotic Metaphase and
 Anaphase","Bile acid and bile salt metabolism","Mitotic Anaphase","Recycling of bile acids and salts","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{AB00051925_07,AB0005192507,AB00051925-07,"AB00051925 07",beta-carotene,betacarotene,7235-40-7,7235407,"beta Carotene","beta,beta-Carotene","beta,betaCarotene",Betacarotene,"Provitamin A",Solatene,Car
otaben,Provatene,all-trans-beta-Carotene,alltransbetaCarotene,Serlabo,"Natural Yellow 26",Karotin,KPMK,beta-Karotin,betaKarotin,.beta.-Carotene,.beta.Carotene,"C.I. Food Oran",T1633,1500143,Beta-Carot
ene,beta-CAROTENE}

> <pdid>
PD002456

> <targets>
{}

> <classes>
{"provitamin A"}

> <pubchem_cids>
{5280489}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 23  0  0  0  0            999 V2000
    9.3738    0.3293    0.0000 Sr  0  2
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 S   0  0
   -2.6394    0.8543    0.0000 N   0  0
   -3.7533   -0.1515    0.0000 C   0  0
   -5.1816    0.3093    0.0000 C   0  0
   -6.2949   -0.6960    0.0000 O   0  0
   -5.3913    1.2870    0.0000 O   0  5
   -2.9571    2.3211    0.0000 C   0  0
   -4.3859    2.7804    0.0000 C   0  0
   -4.7034    4.2464    0.0000 O   0  0
   -5.1267    2.1086    0.0000 O   0  5
    0.0000    2.7742    0.0000 C   0  0
    0.0000    4.2742    0.0000 N   0  0
    2.6375    0.8603    0.0000 C   0  0
    2.9474    2.3287    0.0000 C   0  0
    4.3730    2.7952    0.0000 O   0  0
    1.8309    3.3305    0.0000 O   0  5
    1.6281   -2.2462    0.0000 C   0  0
    1.0161   -3.6157    0.0000 O   0  0
    3.1202   -2.0921    0.0000 O   0  5
    6.8738    0.3293    0.0000 Sr  0  2
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  7 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  4 16  1  0
 16 17  3  0
  3 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
  2 22  1  0
 22 23  2  0
 22 24  1  0
M  CHG  6   1   2  11  -1  15  -1  21  -1  24  -1  25   2
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12179

> <plate>
PLATE 016

> <well>
C9

> <supplier_cmpd_name>
Strontium ranelate

> <ctcr_id>
11117

> <supplier_cmpd_id>
T1641

> <smiles>
[Sr+2].c1(c(c(c(s1)N(CC(=O)[O-])CC(=O)[O-])C#N)CC(=O)[O-])C(=O)[O-].[Sr+2]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Strontium ranelate",135459-87-9,135459879,Protelos,"Distrontium renelate",Protos,Osseor,UNII-04NQ160FRU,UNII04NQ160FRU,"Ranelic acid distrontium salt","Ranelic acid strontium salt",04NQ160FRU,S-1291
1,S12911,"S 12911","S 12911-2","S 129112","Activate As34777G5",C12H6N2O8S.2Sr,T1641}

> <pdid>

> <targets>
{"Calcium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{6918182}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.8805   -1.4410    0.0000 O   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5536   -4.4230    0.0000 C   0  0
   -1.7031   -5.6606    0.0000 C   0  0
   -2.3532   -7.0124    0.0000 C   0  0
   -3.8489   -7.1253    0.0000 C   0  0
   -4.4991   -8.4771    0.0000 O   0  0
   -4.6946   -5.8864    0.0000 N   0  0
   -4.0444   -4.5346    0.0000 C   0  0
   -4.8897   -3.2954    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 11  6  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 12  1  0
 18 19  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12180

> <plate>
PLATE 016

> <well>
C10

> <supplier_cmpd_name>
Lenalidomide

> <ctcr_id>
572

> <supplier_cmpd_id>
T1642

> <smiles>
Nc1cccc2C(=O)N(Cc12)C3CCC(=O)NC3=O

> <pd_targets>
{IL6,TNF,CRBN,MDC1,IL1B,IKZF3,IKZF1,CUL4A,DDB1,RBX1,TNFSF11,CDH5,PTGS2}

> <pathway_gtopdb>
{"Secreted protein","Unclassified protein",Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"E3 ubiquitin ligase components","Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Disease,"Immune System","DNA Repair","Signal Transduction",Metabolism,"Infectious disease","Cytokine Signaling in Immune system","DNA Double-Strand Break Repair","Signaling by Receptor Tyrosine Kinas
es","Metabolism of lipids","Leishmania infection","Signaling by Interleukins","SARS-CoV Infections","Homology Directed Repair","TNFR2 non-canonical NF-kB pathway","Signaling by VEGF","Biosynthesis of 
specialized proresolving mediators (SPMs)","Leishmania parasite growth and survival","Interleukin-10 signaling","Potential therapeutics for SARS","HDR through Homologous Recombination (HRR) or Single 
Strand Annealing (SSA)","Cell recruitment (pro-inflammatory response)","TNF receptor superfamily (TNFSF) members mediating non-canonical NF-kB pathway","VEGFA-VEGFR2 Pathway","Biosynthesis of DPA-deri
ved SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Processing of DNA double-strand break ends","Purinergic signaling in leishmaniasis infection","VEGFR2 mediated vascular 
permeability","Biosynthesis of DPAn-3 SPMs","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{TNF}

> <broad_moa>
{"anticancer agent"}

> <synonyms>
{Lenalidomide,191732-72-6,191732726,Revlimid,Revimid,"3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione","3(4Amino1oxoisoindolin2yl)piperidine2,6dione",CC-5013,CC5013,"Lenalidomide (CC-5013)","Lena
lidomide (CC5013)","CDC 501",IMiD3,"CC 5013",CDC-501,CDC501,"3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione","3(4Amino1oxo1,3dihydro2Hisoindol2yl)piperidine2,6dione",2,6-Pipe,6Pipe
,T1642,747972,"NSC 747972",LENALIDOMIDE}

> <pdid>
PD004118

> <targets>
{"TNF-alpha Inhibitors"}

> <classes>
{"immunomodulatory agent"}

> <pubchem_cids>
{216326}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    5.2029   -2.9932    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0939    0.7637    0.0000 C   0  0
   10.3903    1.5181    0.0000 C   0  0
   11.6919    0.7726    0.0000 C   0  0
   12.9884    1.5271    0.0000 C   0  0
   11.6971   -0.7274    0.0000 C   0  0
   10.4007   -1.4818    0.0000 C   0  0
   10.4059   -2.9818    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
 11 12  1  0
  2 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12181

> <plate>
PLATE 016

> <well>
C11

> <supplier_cmpd_name>
Amitraz

> <ctcr_id>
6353

> <supplier_cmpd_id>
T1632

> <smiles>
CN(\C=N\c1ccc(C)cc1C)\C=N\c2ccc(C)cc2C

> <pd_targets>
{CYP3A4,ADRA2A}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Cytochrome P450","Family A G protein-coupled receptor","Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3A","Monoamine receptor
","Cytochrome P450 3A4","Adrenergic receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP3 family",Adrenoceptors}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Metabolism of lipids","Signaling by GPCR","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","Biosynthesis of DHA-derived SPMs","Class
 A/1 (Rhodopsin-like receptors)","Biosynthesis of maresins","Amine ligand-binding receptors","Biosynthesis of maresin-like SPMs",Adrenoceptors}

> <broad_targets>
{ADRA1A,ADRA2A}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{AMITRAZ,33089-61-1,33089611,Mitac,Taktic,Triazid,Azaform,Mitaban,Acarac,BAAM,Azadieno,Ectodex,Edrizar,"Amitraz estrella","Fumilat A",Amitraze,"Upjohn U-36059","Upjohn U36059","Boots BTS 27419",BTS-27
419,BTS27419,Ovasyn,"NSC 324552",1,5-Di(2,5Di(2,4-dimethylphenyl)-3-methyl-1,4dimethylphenyl)3methyl1,3,5-triaza,5triaza,T1632,1505299,Amitraz}

> <pdid>
PD000958

> <targets>
{Adrenergic Receptor,Monoamine Oxidase,Parasite}

> <classes>
{scabicide,Anti-infection,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{36324}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
    0.6890    4.0818    0.0000 C   0  0
    0.2234    5.5086    0.0000 C   0  0
    1.2255    6.6258    0.0000 C   0  0
    0.7600    8.0526    0.0000 C   0  0
    1.7616    9.1692    0.0000 O   0  0
    2.6947    6.3191    0.0000 C   0  0
    3.6951    7.4368    0.0000 O   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  2  0
 14 15  1  0
 15  4  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12182

> <plate>
PLATE 016

> <well>
D2

> <supplier_cmpd_name>
Penciclovir

> <ctcr_id>
6887

> <supplier_cmpd_id>
T1643

> <smiles>
NC1=Nc2n(CCC(CO)CO)cnc2C(=O)N1

> <pd_targets>
{TK,UL23}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SAM001246580,CPD000466317,PENCICLOVIR,Penciclovir,S4184,Prestw-1488}

> <pdid>
PD001690

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{4725}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
 11  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12183

> <plate>
PLATE 016

> <well>
D3

> <supplier_cmpd_name>
Dopamine hydrochloride

> <ctcr_id>
5628

> <supplier_cmpd_id>
T1644

> <smiles>
NCCc1ccc(O)c(O)c1

> <pd_targets>
{OPRD1,OPRK1,OPRM1,DRD2,DRD3,ADRA2A,ADRA2B,ADRA2C,DRD1,DRD4,DRD5,ADRA1A,ADRA1B,ADRA1D,HSD17B10,MAPT,THPO,HTR7,SLC6A4,HTR5B,TAAR1,ADRB1,ADRB2,ARPP19,ALDH1A1,RECQL,TDP1,SLC6A3,ADORA2B,KDM4E,HIF1A,FFP,HT
R1A,SLC6A2,MAPK1,TP53,ADCY1,ADCY2,ADCY3,ADCY4,ADCY5,ADCY6,ADCY8,HTR5A,ALD,APEX1,LMNA,BLM,GAA,TGR,PMP22,GFER,MTNR1A,MTOR,MTNR1B,SLC22A3,ALOX5}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other cytosolic protein","Unclassified protein",Transporter,"Epigenetic regulator","Transcription factor","Other nuclear protein","Family A G protein-coupled receptor",Oxi
doreductase,"Electrochemical transporter",Hydrolase,Eraser,Transferase,Kinase,Lyase,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","L
ysine demethylase","Protein Kinase","Short peptide receptor (family A GPCR)","Monoamine receptor","SLC06 neurotransmitter transporter family","Nucleotide-like receptor (family A GPCR)","Jumonji domain
-containing","CMGC protein kinase group","Monoamine-derivative receptor (family A GPCR)","Atypical protein kinase group","SLC22 family of organic cation and anion transporters","Opioid receptor","Dopa
mine receptor","Adrenergic receptor","Serotonin receptor","Trace amine receptor","Adenosine receptor","CMGC protein kinase MAPK family","Melatonin receptor","Atypical protein kinase PIKK family","CMGC
 protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","3.2.1.- Glycosidases","Dopamine receptors","5-H
ydroxytryptamine receptors","SLC6 neurotransmitter transporter family","Trace amine receptor",Adrenoceptors,"Adenosine receptors","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK
 families","Melatonin receptors",Atypical,"SLC22 family of organic cation and anion transporters","Monoamine transporter subfamily","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inos
itol 3' kinase-related kinases (PIKK) family","Organic cation transporters (OCT)","ERK subfamily","FRAP subfamily","Eicosanoid turnover",Lipoxygenases}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Neuronal System",Hemostasis,"DNA Repair","Cellular responses to external stimuli","Immune System","Cell Cycle","Developmental Biology","Protein localization"
,"Gene expression (Transcription)","Transport of small molecules","Signaling by GPCR","Infectious disease","Metabolism of amino acids and derivatives","Transmission across Chemical Synapses","Platelet
 activation","signaling and aggregation","Biological oxidations","DNA Double-Strand Break Repair","Disorders of transmembrane transporters","Cellular responses to stress","Innate Immune System","Cell 
Cycle Checkpoints","Base Excision Repair",Mitotic,"Diseases of metabolism","Nervous system development","Mitochondrial protein import","RNA Polymerase II Transcription","SLC-mediated transmembrane tra
nsport","GPCR ligand binding","Leishmania infection","Branched-chain amino acid catabolism","Neurotransmitter receptors and postsynaptic signal transmission","Platelet Aggregation (Plug Formation)","N
eurotransmitter clearance","Phase I - Functionalization of compounds","Nonhomologous End-Joining (NHEJ)","SLC transporter disorders","Cellular response to hypoxia","Toll-like Receptor Cascades","G1/S 
DNA Damage Checkpoints","Resolution of Abasic Sites (AP sites)","M Phase","Homology Directed Repair","Diseases of carbohydrate metabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelinati
on","GPCR downstream signalling","Generic Transcription Pathway","Transport of bile salts and organic acids","metal ions and amine compounds","Class A/1 (Rhodopsin-like receptors)","Leishmania parasit
e growth and survival","Activation of NMDA receptors and postsynaptic events","Serotonin clearance from the synaptic cleft","Ethanol oxidation","Defective SLC6A3 causes Parkinsonism-dystonia infantile
 (PKDYS)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Defective SLC6A2 causes orthostatic intolerance (OI)","Toll Like Receptor 5 (TLR5) Cascade","p53-Dependent G1/S DN
A damage checkpoint","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Anneal
ing (SSA)","Glycogen storage diseases","G alpha (i) signalling events","Transcriptional Regulation by TP53","Organic cation/anion/zwitterion transport","Amine ligand-binding receptors","Anti-inflammat
ory response favouring Leishmania parasite infection","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","p53-Dependent G1 DNA Damage Response","PCNA-Dependent Long Pa
tch Base Excision Repair","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","Glycogen storage disease type II (GAA)","Regulation of TP53 Activity","Organic cation transport","Dopamine re
ceptors","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs",Adrenoceptors,"Serotonin receptors","MAP kinase activation","Stabilization of p53","Nuclear
 Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E
3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs a
re inactivated","Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DPA-derived SPMs","Biosynthesis of DPAn-3 SPMs","Biosynthesis of DPAn-3-derived 13-s
eries resolvins"}

> <broad_targets>
{DBH,DRD1,DRD2,DRD3,DRD4,DRD5,HTR1A,HTR7,SLC6A2,SLC6A3,SLC6A4}

> <broad_moa>
{"dopamine receptor agonist"}

> <synonyms>
{HYDROXYTYRAMIN,dopamine,"4-(2-Aminoethyl)benzene-1,2-diol","4(2Aminoethyl)benzene1,2diol",3-Hydroxytyramine,3Hydroxytyramine,51-61-6,51616,Dopamin,Hydroxytyramin,Oxytyramine,"3,4-dihydroxyphenethylam
ine","3,4dihydroxyphenethylamine",intropin,Dophamine,"2-(3,4-dihydroxyphenyl)ethylamine","2(3,4dihydroxyphenyl)ethylamine",4-(2-Aminoethyl)catechol,4(2Aminoethyl)catechol,hydroxytyramine,Dopami,T1644,
T3412,1505155,"Dopamine hydrochloride","3,4-Dihydroxyphenylethanol",3-HYDROXYTYRAMINE}

> <pdid>
PD000596

> <targets>
{}

> <classes>
{dopaminergic}

> <pubchem_cids>
{681}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
   -3.4595   -4.0717    0.0000 C   0  0
   -2.5817   -5.2880    0.0000 C   0  0
   -1.0885   -5.1368    0.0000 O   0  0
   -0.2102   -6.3538    0.0000 C   0  0
   -0.8251   -7.7220    0.0000 O   0  0
    1.2830   -6.2026    0.0000 C   0  0
    2.1626   -7.4186    0.0000 C   0  0
    1.5502   -8.7888    0.0000 C   0  0
    2.4298  -10.0049    0.0000 C   0  0
    1.8197  -11.3752    0.0000 C   0  0
    2.7014  -12.5888    0.0000 C   0  0
    4.1932  -12.4320    0.0000 C   0  0
    4.8033  -11.0617    0.0000 C   0  0
    3.9217   -9.8482    0.0000 C   0  0
    1.8954   -4.8324    0.0000 N   0  0
    1.0157   -3.6164    0.0000 C   0  0
   -0.4763   -3.7706    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    3.1202   -2.0921    0.0000 O   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    2.4258    1.2743    0.0000 C   0  0
    1.9623    2.7009    0.0000 C   0  0
    0.4623    2.7009    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  0
   -3.1247   -2.0836    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  6 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 21  1  0
 25 26  1  0
 26 27  1  0
 27 20  1  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12184

> <plate>
PLATE 016

> <well>
D4

> <supplier_cmpd_name>
Ramipril

> <ctcr_id>
972

> <supplier_cmpd_id>
T1645

> <smiles>
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C3CCCC3CC2C(O)=O

> <pd_targets>
{ACE,CYP3A4,ALOX15,KMT2A,MEN1,LMNA}

> <pathway_gtopdb>
{Enzyme,Protease,"Cytochrome P450",Oxidoreductase,"Metallo protease","Cytochrome P450 family 3","Metallo protease MAE clan","Cytochrome P450 family 3A","Metallo protease M2 family","Cytochrome P450 3A
4","Epigenetic regulator","Other nuclear protein",Reader,"Cysteine protease",Bromodomain,"Cysteine protease CA clan","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","Cytochrome P450","Eicosanoid turnover","MA: Metallo (M) Peptidases","CYP3 family",Lipoxygenases,"M2: Angiotensin-converting  (ACE and ACE2)"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Peptide hormone metabolism","Metabolism of lipids","Metabolism of Angiotensinogen to Angiotensins","Biosynthesis of specialized proresolving mediators (SPMs)","Bi
osynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Biosynthesis of maresins","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protecti
ns and resolvins","Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ACE}

> <broad_moa>
{"angiotensin converting enzyme inhibitor"}

> <synonyms>
{Cardace,Pramace,Unipril,Vesdil,Quark,Ramipril-d5,Ramiprild5,1-epi-Ramipril,1epiRamipril,Corpril,"Ramipril Impurity N",SCHEMBL678408,CHEMBL1319316,HMS3372B01,HMS3373I08,HMS3393E04,HMS3655I12,AKOS03022
8639,MCULE-8858912367,MCULE8858912367,NCGC00095902-01,NCGC0009590201,LS-15015,LS15015,DB-016350,DB016350,FT-0630951,FT0630951,FT-0,FT0,T1645,S1793,Ramipril,"Ramipril (Altace)"}

> <pdid>
PD000535

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{53448502,5038}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    0.1711  -10.9062    0.0000 C   0  0
   -1.2966  -10.5966    0.0000 C   0  0
   -2.2982  -11.7132    0.0000 O   0  0
   -1.7622   -9.1698    0.0000 O   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6935   -6.3130    0.0000 C   0  0
   -3.1574   -4.8857    0.0000 O   0  0
   -4.6253   -4.5730    0.0000 C   0  0
   -5.6292   -5.6875    0.0000 C   0  0
   -5.0890   -3.1464    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18  9  1  0
 18 12  1  0
  6 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12185

> <plate>
PLATE 016

> <well>
D5

> <supplier_cmpd_name>
Famciclovir

> <ctcr_id>
4025

> <supplier_cmpd_id>
T1646

> <smiles>
CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(C)=O

> <pd_targets>
{ALDH1A1,RXFP1,HPGD,KDM4E,HSD17B10}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator",Protease,Oxidoreductase,"Family A G protein-coupled receptor",Eraser,Transferase,"Cysteine protease","Peptide receptor (family A GPCR)","Lysine demet
hylase","Cysteine protease CA clan","Relaxin-like peptide receptor (family A GPCR)","Jumonji domain-containing","Cysteine protease C1A family","Relaxin receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Relaxin family peptide receptors","Prostaglandin synthases","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,Disease,"Biological oxidations","Infectious disease","Metabolism of lipids","Metabolism of amino acids and derivatives","Phase I - Functionalization of compounds","Leishmania infection","B
iosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Ethanol oxidation","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Anti-
inflammatory response favouring Leishmania parasite infection","Biosynthesis of D-series resolvins","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{}

> <broad_moa>
{"DNA polymerase inhibitor"}

> <synonyms>
{famciclovir,104227-87-4,104227874,Famvir,BRL-42810,BRL42810,Famciclovirum,"2-(2-(2-Amino-9H-purin-9-yl)ethyl)propane-1,3-diyl diacetate","2(2(2Amino9Hpurin9yl)ethyl)propane1,3diyl diacetate","Famcicl
ovirum (INN-Latin)","Famciclovirum (INNLatin)","BRL 42810","Famciclovir (Famvir)","(2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl) acetate","(2(acetyloxymethyl)4(2aminopurin9yl)butyl) acetate",UNI,T1
646,SAM001246732,1505201,Prestw-1249,Famciclovir,CPD000466375,FAMCICLOVIR}

> <pdid>
PD000571

> <targets>
{}

> <classes>
{antiviral}

> <pubchem_cids>
{3324}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    1.6317   -2.2458    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    2.6375    0.8603    0.0000 C   0  0
    2.9474    2.3287    0.0000 O   0  0
    4.3738    2.7955    0.0000 C   0  0
    5.4903    1.7938    0.0000 N   0  0
    4.6835    4.2632    0.0000 O   0  0
    0.0000    1.2760    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6332   -2.2426    0.0000 N   0  3
   -1.0255   -3.6140    0.0000 O   0  5
   -3.1247   -2.0836    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  3  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
M  CHG  2  12   1  13  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12186

> <plate>
PLATE 016

> <well>
D6

> <supplier_cmpd_name>
Ronidazole

> <ctcr_id>
5081

> <supplier_cmpd_id>
T1647

> <smiles>
Cn1c(COC(N)=O)ncc1[N+]([O-])=O

> <pd_targets>
{LMNA}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"antiprotozoal agent"}

> <synonyms>
{HMS3715O12,ronidazole,7681-76-7,7681767,Ronidazol,Ridzol,"Ridzol P",Ridazole,Dugro,"(1-Methyl-5-nitro-1H-imidazol-2-yl)methyl carbamate","(1Methyl5nitro1Himidazol2yl)methyl carbamate","(1-Methyl-5-ni
troimidazol-2-yl)methyl carbamate","(1Methyl5nitroimidazol2yl)methyl carbamate",Ronidazolum,Ronidazol-pharmachim,Ronidazolpharmachim,1H-Imidazole-2-methanol,1HImidazole2methanol,1-meth,1meth,T1647,150
1154,Prestw-1115,Ronidazole,RONIDAZOLE}

> <pdid>
PD001489

> <targets>
{Bacterial,Parasite}

> <classes>
{antiprotozoal,Anti-infection}

> <pubchem_cids>
{5094}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  1  0            999 V2000
    1.2443   -5.8182    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0  2  0  0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 O   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.7622   -9.1698    0.0000 P   0  0
   -2.7643  -10.2859    0.0000 O   0  0
   -3.2299   -8.8602    0.0000 O   0  0
   -1.2969  -10.5958    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  4  1  0
 13  7  1  0
  2 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12187

> <plate>
PLATE 016

> <well>
D7

> <supplier_cmpd_name>
Tenofovir

> <ctcr_id>
7462

> <supplier_cmpd_id>
T1649

> <smiles>
C[C@H](Cn1cnc2c(N)ncnc12)OC[P](O)(O)=O

> <pd_targets>
{"REVERSE TRANSCRIPTASE",HBCAG,POL,RT}

> <pathway_gtopdb>
{Enzyme,"Structural protein",Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"HIV integrase inhibitor","nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{AKOS015894941,Tenofovir,147127-20-6,147127206,"147127 20 6",PMPA,Truvada,(R)-PMPA,(R)PMPA,"(R) PMPA",(R)-9-(2-Phosphonomethoxypropyl)adenine,(R)9(2Phosphonomethoxypropyl)adenine,"(R) 9 (2 Phosphonome
thoxypropyl)adenine","PMPA gel",ATRIPLA,Apropovir,S1401}

> <pdid>
PD001133

> <targets>
{"Reverse Transcriptase"}

> <classes>
{}

> <pubchem_cids>
{464205}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  2  0
 11  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12188

> <plate>
PLATE 016

> <well>
D8

> <supplier_cmpd_name>
Chlorzoxazone

> <ctcr_id>
1449

> <supplier_cmpd_id>
T1650

> <smiles>
Clc1ccc2OC(=O)Nc2c1

> <pd_targets>
{LMNA,TSHR,NOS2,THPO,CYP1A2,NOS1,KCNN2,KCNN4,NOS3,NPSR1,CMA1}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor",Enzyme,"Unclassified protein","Ion channel","Family A G protein-coupled receptor","Cytochrome P450","Voltage-gated ion channel","Peptide receptor (family A
 GPCR)","Cytochrome P450 family 1","Potassium channels","Glycohormone receptor","Cytochrome P450 family 1A","Calcium-activated potassium channel","Short peptide receptor (family A GPCR)","Cytochrome P
450 1A1","Neuropeptide receptor",Protease,"Serine protease","Serine protease PA clan","Serine protease S1A subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","L-Arginine turnover","Cytochrome P450","Voltage-gated ion channels","Glycoprotein hormone receptors","Nitric oxide synthases","CYP1 fam
ily","Potassium channels","Neuropeptide S receptor","Calcium- and sodium-activated potassium channels","Peptidases and proteinases","PA: Serine (S) Peptidases","S1: Chymotrypsin"}

> <pathway_reactome>
{"Cell Cycle",Disease,Hemostasis,Metabolism,"Neuronal System","Signal Transduction",Mitotic,"Infectious disease","Platelet activation","signaling and aggregation","Biological oxidations","Platelet hom
eostasis","Potassium Channels","Signaling by Receptor Tyrosine Kinases","M Phase","Leishmania infection","Infection with Mycobacterium tuberculosis","Platelet Aggregation (Plug Formation)","Phase I - 
Functionalization of compounds","Nitric oxide stimulates guanylate cyclase","Ca2+ activated K+ channels","Signaling by VEGF","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival",
"Response of Mtb to phagocytosis","Cytochrome P450 - arranged by substrate type","VEGFA-VEGFR2 Pathway","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Suppres
sion of phagosomal maturation",Xenobiotics,"VEGFR2 mediated vascular permeability","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Inhibition of nitric ox
ide production","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation","Extracellular matrix organization","Degradation of the extracellul
ar matrix","Activation of Matrix Metalloproteinases"}

> <broad_targets>
{KCNMA1,KCNN4}

> <broad_moa>
{"bacterial 30S ribosomal subunit inhibitor"}

> <synonyms>
{chlorzoxazone,95-25-0,95250,Paraflex,Chloroxazone,Chlorzoxazon,5-Chloro-2-benzoxazolone,5Chloro2benzoxazolone,5-Chloro-2-benzoxazolinone,5Chloro2benzoxazolinone,"2(3H)-Benzoxazolone, 5-chloro-","2(3H
)Benzoxazolone, 5chloro",Biomioran,Escoflex,Myoflexin,Myoflexine,Pathorysin,5-Chloro-2-hydroxybenzoxazole,5Chloro2hydroxybenzoxazole,Mioran,Miotran,Neo,T0577,T1650,SAM002554888,1500188,Prestw-163,Chlo
robenzothiazolinone,Chlorzoxazone,CPD000058269,CHLORZOXAZONE}

> <pdid>
PD002420

> <targets>
{Cytochrome P450}

> <classes>
{muscle relaxant (skeletal),Metabolic Enzyme/Protease}

> <pubchem_cids>
{2733}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    7.2951   -7.9602    0.0000 Na  0  3
    2.5579  -17.4197    0.0000 C   0  0
    1.8061  -16.1217    0.0000 O   0  0
    2.5539  -14.8204    0.0000 C   0  0
    1.8016  -13.5217    0.0000 C   0  0
    2.5494  -12.2205    0.0000 C   0  0
    1.7972  -10.9218    0.0000 O   0  0
    2.5450   -9.6205    0.0000 C   0  0
    4.0450   -9.6205    0.0000 C   0  0
    4.7951   -8.3215    0.0000 C   0  0
    4.0452   -7.0225    0.0000 N   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5497   -4.4224    0.0000 S   0  0
    4.0497   -4.4250    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  5
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.7951   -8.3214    0.0000 C   0  0
    0.2951   -8.3214    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 16  2  0
 12 25  2  0
 25  8  1  0
 25 26  1  0
M  CHG  2   1   1  17  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12189

> <plate>
PLATE 016

> <well>
D9

> <supplier_cmpd_name>
Rebeprazole sodium

> <ctcr_id>
2661

> <supplier_cmpd_id>
T1651

> <smiles>
[Na+].COCCCOc1ccnc(C[S](=O)c2[n-]c3ccccc3n2)c1C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"RABEPRAZOLE SODIUM",117976-90-6,117976906,"Rebeprazole sodium",Pariet,Aciphex,"Rabeprazole sodium salt","Rabeprazole (sodium)","Aciphex Sprinkle",LY-307640,LY307640,CHEBI:8769,"LY307640 sodium",C18H
20N3NaO3S,"Sodium rabeprazole",DSSTox_CID_24205,DSSToxCID24205,DSSTox-CID-24205,"DSSTox CID 24205",DSSTox,T1651,1505943}

> <pdid>

> <targets>
{}

> <classes>
{"gastric acid secretion inhibitor"}

> <pubchem_cids>
{14720269}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 13  0  0  0  0            999 V2000
    8.8056   -1.8965    0.0000 H   0  3
    6.3056   -1.8965    0.0000 Cl  0  5
    1.8372   -5.2877    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3786   -3.8595    0.0000 N   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  6 14  1  0
 14  3  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12190

> <plate>
PLATE 016

> <well>
D10

> <supplier_cmpd_name>
Tolazoline hydrochloride

> <ctcr_id>
3789

> <supplier_cmpd_id>
T1680

> <smiles>
[H+].[Cl-].C1CN=C(Cc2ccccc2)N1

> <pd_targets>
{ADRA2A,ADRA2B,ADRA2C,ADRA1A,TAAR1,TSHR,CYP2D6,ADRA1B,ADRA1D,LMNA,HTR7,CYP1A2,HRH2,HRH1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein","Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cytochrome P45
0 family 2","Cytochrome P450 family 1","Monoamine receptor","Glycohormone receptor","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Adrenergic receptor","Trace amine receptor","Cytochrome P45
0 2D6","Serotonin receptor","Cytochrome P450 1A1","Histamine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450",Adrenoceptors,"Trace amine receptor","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","5-Hydroxytryptamine re
ceptors","CYP1 family","Histamine receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Cell Cycle","Signaling by GPCR","Infectious disease","Biological oxidations",Mitotic,"GPCR ligand binding","Leishmania infection","Phase I - Functionalizatio
n of compounds","M Phase","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Amine ligand
-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Mitotic Anaphase",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 
reactions","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Histamine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA1A,ADRA2A,ADRA2B,ADRA2C,HRH1,HRH2}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{"Tolazoline hydrochloride",59-97-2,59972,"59 97 2","Tolazoline HCl","2-benzyl-4,5-dihydro-1H-imidazole hydrochloride","2benzyl4,5dihydro1Himidazole hydrochloride","2 benzyl 4,5 dihydro 1H imidazole h
ydrochloride","Tolazoline (hydrochloride)",Benzaz,S4127,S4124,SAM002589935,1500580,Prestw-60,"Terbutaline Sulfate",CPD000149600,"TOLAZOLINE HYDROCHLORIDE"}

> <pdid>
PD009716

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"GPCR & G Protein","adrenergic blocker","Neuronal Signaling"}

> <pubchem_cids>
{6048,74764089}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   11.3033   -1.5000    0.0000 C   0  0
   10.0042   -0.7500    0.0000 N   0  0
   10.0042    0.7500    0.0000 C   0  0
   11.3033    1.5000    0.0000 O   0  0
    8.7052    1.5000    0.0000 N   0  0
    8.7052    3.0000    0.0000 C   0  0
    7.4061    0.7500    0.0000 C   0  0
    5.9804    1.2135    0.0000 N   0  0
    5.0987    0.0000    0.0000 C   0  0
    5.9804   -1.2135    0.0000 N   0  0
    7.4062   -0.7500    0.0000 C   0  0
    8.7052   -1.5000    0.0000 C   0  0
    8.7052   -3.0000    0.0000 O   0  0
   13.8046   -0.3746    0.0000 N   0  0
   15.1039    0.3750    0.0000 C   0  0
   16.4039   -0.3750    0.0000 C   0  0
   17.7032    0.3746    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11  7  2  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 20  2  0
 24 25  1  0
 25 15  1  0
 25 26  2  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12191

> <plate>
PLATE 016

> <well>
D11

> <supplier_cmpd_name>
Aminophylline

> <ctcr_id>
4712

> <supplier_cmpd_id>
T1681

> <smiles>
CN1C(=O)N(C)c2nc[nH]c2C1=O.CN3C(=O)N(C)c4nc[nH]c4C3=O.NCCN

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ADORA1,ADORA2A,ADORA2B,ADORA3,HDAC2,PDE3A,PDE3B,PDE4A,PDE4B,PDE4C,PDE4D,PDE5A}

> <broad_moa>
{"adenosine receptor antagonist"}

> <synonyms>
{RESTW82,aminophylline,317-34-0,317340,Aminophyllin,Phyllocontin,Theophyllamine,Aminodur,Cardophyllin,Somophyllin,Truphylline,"Theophylline ethylenediamine",Aminocardol,Cardiofilina,Cardophylin,Diaphy
lline,Diuxanthine,Ethophylline,Eurphyllin,Genophyllin,Inophy,T1681,Prestw-820,Aminophylline}

> <pdid>
PD001734

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{9433}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 38  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 O   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0007    1.4773    0.0000 C   0  0
  -14.2971    0.7228    0.0000 C   0  0
  -14.2919   -0.7772    0.0000 C   0  0
  -12.9903   -1.5227    0.0000 C   0  0
  -11.6938   -0.7682    0.0000 C   0  0
  -15.5875   -1.5348    0.0000 C   0  0
  -16.8904   -0.7916    0.0000 N   0  0
  -15.5802   -3.0348    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.3990   -1.8928    0.0000 O   0  0
    7.6982   -1.1432    0.0000 C   0  0
    8.9982   -1.8932    0.0000 C   0  0
   10.2982   -1.1432    0.0000 S   0  0
   10.2982    0.3568    0.0000 O   0  0
   11.5975   -1.8928    0.0000 O   0  0
   11.5971   -0.3930    0.0000 O   0  0
   14.0989   -1.8928    0.0000 O   0  0
   15.3982   -1.1432    0.0000 C   0  0
   16.6982   -1.8932    0.0000 C   0  0
   17.9982   -1.1432    0.0000 S   0  0
   17.9982    0.3568    0.0000 O   0  0
   19.2975   -1.8928    0.0000 O   0  0
   19.2971   -0.3930    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 21 23  2  0
  7 24  1  0
 24 25  2  0
 25  4  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 29 32  2  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 36 39  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12192

> <plate>
PLATE 016

> <well>
E2

> <supplier_cmpd_name>
Pentamidine isethionate

> <ctcr_id>
1074

> <supplier_cmpd_id>
T1654

> <smiles>
NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1.OCC[S](O)(=O)=O.OCC[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"PENTAMIDINE ISETHIONATE",140-64-7,140647,"Pentamidine isethionate salt","Pentamidine diisethionate","Pentamidine isetionate",Pentacarinat,Nebupent,"Pentamidine (isethionate)",UNII-V2P3K60DA2,UNIIV2P
3K60DA2,"Pentaminide isetionate","Pentamidine isothi",T1654,Prestw-553,"Pentamidine isethionate"}

> <pdid>

> <targets>
{Antibiotic,Bacterial,Fungal,Parasite,Phosphatase}

> <classes>
{Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{8813}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.1253   -4.3743    0.0000 N   0  0
   -6.5937   -4.6845    0.0000 C   0  0
   -7.5957   -3.5683    0.0000 C   0  0
   -7.0599   -6.1103    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  9 16  1  0
 16  6  1  0
 16 17  2  0
 17  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12193

> <plate>
PLATE 016

> <well>
E3

> <supplier_cmpd_name>
Melatonine

> <ctcr_id>
1534

> <supplier_cmpd_id>
T1659

> <smiles>
COc1ccc2[nH]cc(CCNC(C)=O)c2c1

> <pd_targets>
{MTNR1A,MTNR1B,NQO2,HSD17B10,ALDH1A1,CYP1B1,HTR5B,HTR2B,MPO,BLM,HPGD,CYP2D6,CYP1A2,CYP3A4,CHRM1,KMT2A,MEN1,CYP1A1,KDM4E,HTR5A,HTR7,RAB9A,PMP22,HRH3,ESR1,RORB,EPX}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Epigenetic regulator","Unclassified protein","Transcription factor","Family A G protein-coupled receptor",Oxidoreductase,"Cytochrome P450",Reader,Eraser,Hydrolase,"Nuclear
 receptor","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Cytochrome P450 family 2","Cytochrome P450 family 3",Bromodomain,"Lysine demethylase","Nuclear hormone receptor subfami
ly 3","Nuclear hormone receptor subfamily 1","Monoamine-derivative receptor (family A GPCR)","Cytochrome P450 family 1B","Monoamine receptor","Cytochrome P450 family 2D","Cytochrome P450 family 1A","C
ytochrome P450 family 3A","Jumonji domain-containing","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subfamily 1 group F","Melatonin receptor","Cytochrome P450 1B1","Serotoni
n receptor","Cytochrome P450 2D6","Cytochrome P450 1A1","Cytochrome P450 3A4","Acetylcholine receptor","Histamine receptor","Nuclear hormone receptor subfamily 3 group A member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Catalytic receptors","Cytochrome P450","1.-.-.- Oxidoreductases","Eicosanoid turnover","Chromatin modifying enzymes","Nuclear hormone receptors","Mela
tonin receptors","Receptor guanylyl cyclase (RGC) family","CYP1 family","5-Hydroxytryptamine receptors","Prostaglandin synthases","CYP2 family: drug metabolising subset","CYP3 family","Acetylcholine r
eceptors (muscarinic)","1.14.11.- Histone demethylases","Histamine receptors","Steroid hormone receptors","1F. Retinoic acid-related orphans","Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase","
3A. Estrogen receptors"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Immune System","DNA Repair",Disease,"Developmental Biology","Gene expression (Transcription)","Signaling by GPCR","Biological oxidations","Metabolism of amino acids 
and derivatives","Innate Immune System","DNA Double-Strand Break Repair","Metabolism of lipids","Infectious disease","Signaling by Rho GTPases","Nervous system development","RNA Polymerase II Transcri
ption","GPCR downstream signalling","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","GPCR ligand binding","ROS and RNS production in phagocytes","Homology Directed Re
pair","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Rho GTPase cycle","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Generic Transcription Path
way","Neutrophil degranulation","G alpha (i) signalling events","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Events associated with phagoc
ytolytic activity of PMN cells","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","RHOBTB GTPas
e Cycle","Transcriptional regulation by RUNX1","Nuclear Receptor transcription pathway","Endogenous sterols","Amine ligand-binding receptors","HDR through Homologous Recombination (HRR)","Biosynthesis
 of D-series resolvins",Xenobiotics,"Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","RHOBTB3 ATPase cycle","RUNX1 regulates estrogen receptor mediated t
ranscription","Serotonin receptors","Homologous DNA Pairing and Strand Exchange","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPM
s","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Histamine receptors","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ASMT,CALM1,CALR,EPX,ESR1,HTR2B,MPO,MTNR1A,MTNR1B,NQO2,RORB}

> <broad_moa>
{"melatonin receptor agonist","nitric oxide synthase inhibitor"}

> <synonyms>
{Melatonin,73-31-4,73314,Melatonine,N-Acetyl-5-methoxytryptamine,NAcetyl5methoxytryptamine,Circadin,5-Methoxy-N-acetyltryptamine,5MethoxyNacetyltryptamine,N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide
,N(2(5Methoxy1Hindol3yl)ethyl)acetamide,Melatol,Melovine,"Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)-","Acetamide, N(2(5methoxy1Hindol3yl)ethyl)",N-(2-(5-methoxyindol-3-yl)ethyl)ace,N(2(5methoxyi
ndol3yl)ethyl)ace,T1659,1500690,Prestw-458,MELATONIN}

> <pdid>
PD001629

> <targets>
{Apoptosis,Autophagy,Endogenous Metabolite,Melatonin Receptor,Mitophagy}

> <classes>
{sleep induction,modifies circadian rhythm,Apoptosis,Autophagy,GPCR/G Protein,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{896}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 39  0  0  1  0            999 V2000
    2.6018   -5.9994    0.0000 C   0  0
    3.9008   -5.2492    0.0000 O   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    5.1993   -2.9963    0.0000 C   0  0
    6.4995   -3.7442    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3032   -3.7490    0.0000 O   0  0
   -1.2991    5.2507    0.0000 C   0  0  1  0  0  0
   -2.5993    5.9988    0.0000 O   0  0
   -2.6017    7.4988    0.0000 C   0  0
   -3.9019    8.2467    0.0000 C   0  0
   -3.9043    9.7467    0.0000 C   0  0
   -5.2045   10.4947    0.0000 O   0  0
   -2.6065   10.4988    0.0000 C   0  0
   -1.3062    9.7509    0.0000 C   0  0
   -0.0084   10.5029    0.0000 O   0  0
   -1.3039    8.2509    0.0000 C   0  0
   -0.0036    7.5029    0.0000 C   0  0
    1.2942    8.2550    0.0000 O   0  0
   -0.0012    6.0029    0.0000 C   0  0  2  0  0  0
    1.2990    5.2550    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
 10  5  1  6
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 10  1  0
 19 20  1  1
 20 21  1  0
 22 14  1  1
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31 24  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 22  1  0
 34 35  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12194

> <plate>
PLATE 016

> <well>
E4

> <supplier_cmpd_name>
Silibinin

> <ctcr_id>
2360

> <supplier_cmpd_id>
T1660

> <smiles>
COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O

> <pd_targets>
{CYP2C9,SLC2A4,HIF1A,F2,CA4,LMNA,CA2,CA9,CA12,HSD17B10,MAPT,ALDH1A1,ALOX15,CYP3A4,ABCB1A,CA15,CA3,TSHR,HPGD,GAA,CA6,CA7,LEF,XDH,CA5A,CA5B,PLAU,PRSS1,PRSS2,PRSS3,CA1,CA13,CA14,SLCO1B3,SLCO1B1,SLCO2B1,P
PO2}

> <pathway_gtopdb>
{Enzyme,Transporter,"Transcription factor","Other nuclear protein","Other cytosolic protein","Membrane receptor","Cytochrome P450","Electrochemical transporter",Protease,Lyase,Oxidoreductase,"Primary 
active transporter","Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450 family 2","SLC superfamily of solute carriers","Serine protease","Cysteine protease","Cytochrome P450 family 3","AT
P-binding cassette","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 2C","SLC02 family of hexose and sugar alcohol transporters","Serine protease PA clan","Cysteine protea
se CA clan","Cytochrome P450 family 3A","ABCB subfamily","Glycohormone receptor","Metallo protease MAE clan","SLC21/SLCO family of organic anion transporting polypeptides","Cytochrome P450 2C9","Serin
e protease S1A subfamily","Cysteine protease C1A family","Cytochrome P450 3A4","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Cytochrome P450","SLC superfamily of solute carriers","Peptidases and proteinases","Carbonic anhydrases","Eicosanoid turnover","ATP-binding cassette transporter family
","G protein-coupled receptors","3.2.1.- Glycosidases","1.-.-.- Oxidoreductases","CYP2 family: drug metabolising subset","SLC2 family of hexose and sugar alcohol transporters","PA: Serine (S) Peptidas
es",Lipoxygenases,"CYP3 family","ABCB subfamily","Glycoprotein hormone receptors","Prostaglandin synthases","SLCO family of organic anion transporting polypeptides","Class I transporters","S1: Chymotr
ypsin"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Cellular responses to external stimuli",Disease,"Cell Cycle","Neuronal System","Immune System","Biological oxidations","SLC-mediated transmembrane transport
","Cellular responses to stress","Diseases of hemostasis","O2/CO2 exchange in erythrocytes",Mitotic,"Reversible hydration of carbon dioxide","Metabolism of amino acids and derivatives","Transmission a
cross Chemical Synapses","Metabolism of lipids","Infectious disease","Diseases of metabolism","Metabolism of nucleotides","Innate Immune System","Cytokine Signaling in Immune system","Phase I - Functi
onalization of compounds","Cellular hexose transport","Cellular response to hypoxia","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Erythrocytes take up carbon dioxide
 and release oxygen","M Phase","Branched-chain amino acid catabolism","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Lei
shmania infection","Diseases of carbohydrate metabolism","Uptake and actions of bacterial toxins","Nucleobase catabolism","Neutrophil degranulation","Signaling by Interleukins","Metabolism of steroids
","Transport of vitamins",nucleosides,"and related molecules","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Defective facto
r VIII causes hemophilia A","Mitotic Metaphase and Anaphase","Regulation of gene expression by Hypoxia-inducible Factor","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Bio
synthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Glycogen storage diseases","Uptake and function of anthrax toxins","Purine catabolism","Int
erleukin-12 family signaling","Bile acid and bile salt metabolism","Transport of organic anions",Xenobiotics,"Defective F8 cleavage by thrombin","Mitotic Anaphase","Post NMDA receptor activation event
s","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of D-series resolvins","Glycogen storage disease type II 
(GAA)","Interleukin-12 signaling","Recycling of bile acids and salts","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived pr
otectins and resolvins","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulatio
n","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{silibinin,Silybin,22888-70-6,22888706,"Silybin A","Silibinin A",SILYMARIN,"Silymarin I",Flavobin,Silibinine,Silliver,Silybine,Silibininum,Silibinina,"Silibinin (INN)",Silymarine,UNII-33X338MNE4,UNII3
3X338MNE4,"Flavobin Spofa","Silymarine I",CHEBI:9144,33X338MNE4,NSC651,T1660,1505256,Silibinin,SILIBININ}

> <pdid>
PD000541

> <targets>
{Autophagy,Reactive Oxygen Species}

> <classes>
{hepatoprotective agent,antioxidant,Autophagy,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{31553}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
   -2.1965   -7.7844    0.0000 C   0  0
   -0.7235   -8.0679    0.0000 C   0  0
   -0.2330   -9.4854    0.0000 O   0  0
    0.2586   -6.9331    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
   -0.6870   -2.7320    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  1  6
 22 24  1  0
 24 13  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  6
 26 28  1  0
 28 29  1  0
 29  8  1  0
 29 12  1  0
 29 30  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12195

> <plate>
PLATE 016

> <well>
E5

> <supplier_cmpd_name>
Fludrocortisone acetate

> <ctcr_id>
594

> <supplier_cmpd_id>
T1666

> <smiles>
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3(F)[C@@H](O)C[C@]12C

> <pd_targets>
{NR3C1,NR3C2}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormon
e receptor subfamily 3 group C member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","RNA Polymerase II Transcription","Post-translational protein modification","Generic Transcription Pathway",SUMOylation,"FOXO-mediated trans
cription","SUMO E3 ligases SUMOylate target proteins","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","SUMOylation of intracellular receptors"}

> <broad_targets>
{NR3C2}

> <broad_moa>
{}

> <synonyms>
{CHEMBL4303446,HMS3712J04,CCG-220281,CCG220281,"Fluorocortisone acetate|||9-Fluorohydrocortisone acetate","Fluorocortisone acetate|||9Fluorohydrocortisone acetate",T1666,Prestw-281,"Fludrocortisone ac
etate"}

> <pdid>
PD002331

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{73440814}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  5
    2.5973   -1.5031    0.0000 N   0  3
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 F   0  0
   -2.5983   -3.0004    0.0000 F   0  0
   -3.8975   -2.2510    0.0000 F   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 C   0  0
    5.1932    3.0131    0.0000 O   0  0
    3.8863    5.2585    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    1.2883    5.2495    0.0000 C   0  0
    1.2934    3.7495    0.0000 C   0  0
   -0.0030    2.9951    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
  5 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  2  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12196

> <plate>
PLATE 016

> <well>
E6

> <supplier_cmpd_name>
Nitisinone

> <ctcr_id>
11120

> <supplier_cmpd_id>
T1684

> <smiles>
[O-][N+](=O)c1c(ccc(c1)C(F)(F)F)C(=O)C1C(=O)CCCC1=O

> <pd_targets>
{HPD}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"1.-.-.- Oxidoreductases"}

> <pathway_reactome>
{Metabolism,"Metabolism of amino acids and derivatives","Phenylalanine and tyrosine metabolism","Tyrosine catabolism"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Nitisinone,104206-65-7,104206657,Orfadin,"2-(2-nitro-4-(trifluoromethyl)benzoyl)cyclohexane-1,3-dione","2(2nitro4(trifluoromethyl)benzoyl)cyclohexane1,3dione",NTBC,"2-(2-nitro-4-trifluoromethylbenzoy
l)-1,3-cyclohexanedione","2(2nitro4trifluoromethylbenzoyl)1,3cyclohexanedione","SC 0735","2-(2-Nitro-4-trifluoromethylbenzoyl)cyclohexane-1,3-dione","2(2Nitro4trifluoromethylbenzoyl)cyclohexane1,3dion
e",Nitisone,Nitisin,T1684}

> <pdid>
PD010088

> <targets>
{"4-hydroxyphenylpyruvate dioxygenase"}

> <classes>
{Others}

> <pubchem_cids>
{115355}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 10  0  0  0  0            999 V2000
   10.2999    1.1254    0.0000 Cl  0  5
    3.9000    2.2500    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    0.0007    0.0004    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    5.2000    0.0000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    7.7992    0.0004    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  3  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
M  CHG  2   1  -1   5   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12197

> <plate>
PLATE 016

> <well>
E7

> <supplier_cmpd_name>
Methacholine Chloride

> <ctcr_id>
2790

> <supplier_cmpd_id>
T1682

> <smiles>
[Cl-].CC(C[N+](C)(C)C)OC(C)=O

> <pd_targets>
{CHRM4,CHRM2,CHRM3,CHRM1,DRD5,GALR3,BLM,MAPT,CHRM5,TSHR,LEF}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other cytosolic protein","Family A G protein-coupled receptor",Protease,"Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Metallo protease","Mo
noamine receptor","Short peptide receptor (family A GPCR)","Glycohormone receptor","Metallo protease MAE clan","Acetylcholine receptor","Dopamine receptor","Galanin receptor","Metallo protease M34 fam
ily"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)","Dopamine receptors","Galanin receptors","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,"DNA Repair","Neuronal System","Signaling by GPCR","Infectious disease","DNA Double-Strand Break Repair","Transmission across Chemical Synapses","GPCR ligand binding","L
eishmania infection","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Uptake and actions of bacterial toxins","Class A/1 (Rhodopsin-like receptors)","Leish
mania parasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax
 toxins","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Peptide ligand-binding receptors","HDR through Homologous Recombination (HRR)","Post NMD
A receptor activation events","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream
 of NMDARs","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CHRM2,CHRM4}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{"Methacholine chloride",62-51-1,62511,"Acetyl-beta-methylcholine chloride","Acetylbetamethylcholine chloride",Provocholine,"Mecholyl chloride","Methacholine (chloride)","Acetyl-2-methylcholine Chlori
de","Acetyl2methylcholine Chloride","1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride","1Propanaminium, 2(acetyloxy)N,N,Ntrimethyl, chloride",(2-Aceto,(2Aceto,T1682,1500391,Prestw-759,"Methac
holine Chloride","METHACHOLINE CHLORIDE"}

> <pdid>
PD009277

> <targets>
{mAChR}

> <classes>
{diagnostic aid,cholinergic,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{6114}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 64 71  0  0  1  0            999 V2000
    2.3980    5.1974    0.0000 C   0  0
    1.0617    4.5159    0.0000 C   0  0
   -0.2000    5.2900    0.0000 C   0  0  2  0  0  0
   -0.2341    6.7896    0.0000 O   0  0
   -0.2000    4.0900    0.0000 C   0  0
   -1.2300    3.5100    0.0000 C   0  0
   -2.2500    4.0900    0.0000 C   0  0
   -2.2500    5.2900    0.0000 N   0  0
   -3.9200    5.5000    0.0000 C   0  0
   -5.4100    4.7800    0.0000 C   0  0
   -5.7000    3.1300    0.0000 C   0  0
   -4.9700    1.7900    0.0000 C   0  0
   -6.0100    0.6800    0.0000 N   0  0
   -7.4000    1.3200    0.0000 C   0  0
   -8.8100    0.7400    0.0000 C   0  0
  -10.0200    1.6700    0.0000 C   0  0
   -9.8300    3.1800    0.0000 C   0  0
   -8.4200    3.7700    0.0000 C   0  0
   -7.2000    2.8400    0.0000 C   0  0
   -3.3800    1.2800    0.0000 C   0  0  1  0  0  0
   -1.8700    1.9700    0.0000 C   0  0
   -4.3011    0.1350    0.0000 C   0  0
   -5.7734    0.4218    0.0000 O   0  0
   -3.8135   -1.2844    0.0000 O   0  0
   -4.7977   -2.4164    0.0000 C   0  0
   -2.3301    0.2513    0.0000 C   0  0
   -2.7110   -1.1720    0.0000 C   0  0
   -1.6165   -2.2180    0.0000 C   0  0
   -0.2693   -1.8150    0.0000 C   0  0
    0.1414   -0.3694    0.0000 C   0  0
   -0.9061    0.6597    0.0000 C   0  0
   -0.5303    2.1129    0.0000 O   0  0
    0.4332    2.3808    0.0000 C   0  0
    0.6269   -3.0200    0.0000 N   0  0
    2.1267   -3.0420    0.0000 C   0  0
   -0.2779   -4.1651    0.0000 C   0  0  1  0  0  0
   -0.0140   -5.6041    0.0000 C   0  0  2  0  0  0
    1.0936   -4.5926    0.0000 O   0  0
   -1.1529   -6.6124    0.0000 C   0  0  2  0  0  0
   -0.8799   -8.0880    0.0000 O   0  0
    0.5342   -8.5906    0.0000 C   0  0
    1.2952   -7.9418    0.0000 C   0  0
    0.8068  -10.0656    0.0000 O   0  0
   -2.5335   -6.1188    0.0000 C   0  0  2  0  0  0
   -2.2630   -7.5946    0.0000 C   0  0
   -3.0242   -8.2431    0.0000 C   0  0
   -3.6287   -7.0542    0.0000 C   0  0
   -5.0406   -6.5494    0.0000 C   0  0
   -5.3459   -4.5824    0.0000 C   0  0
   -4.0445   -3.8623    0.0000 N   0  0
   -3.7291   -2.4358    0.0000 C   0  0
   -2.2452   -2.2939    0.0000 C   0  0
   -1.6741   -3.6659    0.0000 C   0  0  2  0  0  0
   -2.8019   -4.6427    0.0000 C   0  0  2  0  0  0
    0.2302   -7.0636    0.0000 C   0  0
    1.1755   -7.3898    0.0000 O   0  0
   -0.9029   -8.0479    0.0000 O   0  0
   -0.6181   -9.5206    0.0000 C   0  0
   -1.2300    5.8900    0.0000 C   0  0
    8.2352    0.9101    0.0000 O   0  0
    8.2352   -0.5899    0.0000 S   0  0
    8.2352   -2.0899    0.0000 O   0  0
    6.9359   -1.3395    0.0000 O   0  0
    9.5344   -1.3395    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 14  1  0
 12 20  1  0
 20 21  1  0
 21  6  1  0
 20 22  1  1
 22 23  2  0
 22 24  1  0
 24 25  1  0
 20 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 33  1  0
 29 34  1  0
 34 35  1  0
 36 34  1  1
 36 37  1  0
 37 38  1  6
 37 39  1  0
 39 40  1  6
 40 41  1  0
 41 42  1  0
 41 43  2  0
 39 44  1  0
 44 45  1  1
 45 46  1  0
 44 47  1  0
 47 48  2  3
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 53 52  1  6
 53 28  1  0
 53 36  1  0
 53 54  1  0
 54 44  1  0
 54 50  1  6
 37 55  1  0
 55 56  2  0
 55 57  1  0
 57 58  1  0
  8 59  1  0
 59  3  1  0
 60 61  1  0
 61 62  1  0
 61 63  2  0
 61 64  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12198

> <plate>
PLATE 016

> <well>
E8

> <supplier_cmpd_name>
Vinblastine sulfate

> <ctcr_id>
5325

> <supplier_cmpd_id>
T1668

> <smiles>
CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.O[S](O)(=O)=O

> <pd_targets>
{LMNA,KMT2A,MEN1,GMNN,RECQL,BLM,MAPT,NPSR1,PMP22,MTOR,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,PSMB1,PSMB2,ABCB1A,PSMB5,ABCC4,BETA-TUBULIN,SLC
O1B1,MAOB,CYP3A4,ABCB1,SLCO1B3,RORC,ALOX15,KDM4E,HIF1A,HTT,ABCB1B,ABCC2,TBXAS1,ABCB11,ABCC1,TUBB5,JUN,NR5A1}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator","Unclassified protein",Enzyme,"Other cytosolic protein","Membrane receptor",Reader,"Family A G protein-coupled receptor",Kinase,Bromodomain,"Peptide rec
eptor (family A GPCR)","Protein Kinase","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Neuropeptide receptor","Atypical protein kinase PIKK family","Atypical protein kinase 
FRAP subfamily","Structural protein",Transporter,"Transcription factor",Protease,"Primary active transporter","Electrochemical transporter",Oxidoreductase,"Cytochrome P450","Nuclear receptor",Eraser,"
Threonine protease","ATP-binding cassette","SLC superfamily of solute carriers","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Lysine demethylase","Cytochrome P450 family 5","Nucle
ar hormone receptor subfamily 5","Threonine protease PBT clan","ABCB subfamily","ABCC subfamily","SLC21/SLCO family of organic anion transporting polypeptides","Cytochrome P450 family 3A","Nuclear hor
mone receptor subfamily 1 group F","Jumonji domain-containing","Cytochrome P450 family 5A","Nuclear hormone receptor subfamily 5 group A","Threonine protease T1A subfamily","Cytochrome P450 3A4","Nucl
ear hormone receptor subfamily 1 group F member 3","Cytochrome P450 5A1","Nuclear hormone receptor subfamily 5 group A member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Neuropeptide S receptor",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily",Transporters
,"Other protein targets","Peptidases and proteinases","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Catecholamine turnover","Cytochrome P450","Nuclear hormone recepto
rs","Eicosanoid turnover","Chromatin modifying enzymes",Tubulins,"PB: Threonine (T) Peptidases","ABCB subfamily","ABCC subfamily","SLCO family of organic anion transporting polypeptides","CYP3 family"
,"1F. Retinoic acid-related orphans",Lipoxygenases,"1.14.11.- Histone demethylases",CYP5,"CYP7 and CYP8 families","5A. Fushi tarazu F1-like receptors","T1: Proteasome"}

> <pathway_reactome>
{"Cell Cycle","DNA Repair","Neuronal System",Disease,"Developmental Biology","Gene expression (Transcription)",Mitotic,"DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Infecti
ous disease","Nervous system development","RNA Polymerase II Transcription","M Phase","Mitotic G1 phase and G1/S transition","Homology Directed Repair","Neurotransmitter receptors and postsynaptic sig
nal transmission","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","G1/S Transition","HDR throug
h Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Leishmania parasite growth and survival","Transcriptional Regulation by TP53"
,"Mitotic Anaphase","Activation of the pre-replicative complex","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania par
asite infection","Regulation of TP53 Activity","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflamma
tory cytokines production","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulati
on of TP53 Degradation",Hemostasis,Metabolism,"Cellular responses to external stimuli","Immune System","Metabolism of proteins","Platelet activation","signaling and aggregation","Metabolism of lipids"
,"Biological oxidations","Abacavir transport and metabolism","Cellular responses to stress","Disorders of transmembrane transporters","Innate Immune System","Post-translational protein modification","
Regulation of mitotic cell cycle","Response to elevated platelet cytosolic Ca2+","Metabolism of steroids","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators
 (SPMs)","Abacavir transmembrane transport","Cellular response to hypoxia","ABC transporter disorders","Fatty acid metabolism","Mitotic G2-G2/M phases","Toll-like Receptor Cascades",SUMOylation,"APC/C
-mediated degradation of cell cycle proteins","Platelet degranulation","Bile acid and bile salt metabolism","Amine Oxidase reactions","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by 
RUNX3","Biosynthesis of DPA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by MECP2","Defective ABCC2 causes DJS","Cytochrome P450
 - arranged by substrate type","Arachidonic acid metabolism","G2/M Transition","Toll Like Receptor 5 (TLR5) Cascade","SUMO E3 ligases SUMOylate target proteins","Activation of APC/C and APC/C:Cdc20 me
diated degradation of mitotic proteins","Recycling of bile acids and salts","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Biosynthesis of maresins","RUNX3 Regulates Immun
e Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Regulation of MECP2 expression and activity",Eicosanoids,"Synthesis of bile acids and bile salts","Synthesis of Leukotrienes (LT) and Eoxi
ns (EX)","Centrosome maturation","MyD88 cascade initiated on plasma membrane","SUMOylation of intracellular receptors","APC/C:Cdc20 mediated degradation of mitotic proteins","Biosynthesis of maresin-l
ike SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Loss of proteins required for interphase microtubule organiz
ation from the centrosome","MAP kinase activation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Loss of Nlp from mitotic centrosomes","MAP
K targets/ Nuclear events mediated by MAP kinases","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{JUN,TUBA1A,TUBB,TUBD1,TUBE1,TUBG1}

> <broad_moa>
{"microtubule inhibitor","tubulin polymerization inhibitor"}

> <synonyms>
{"Vinblastine sulfate","vincaleukoblastine,sulfate(1:1)",143-67-9,143679,1212440-53-3,1212440533,SR-05000001738,SR05000001738,MFCD08706468,SPECTRUM1500611,HMS2092C18,Pharmakon1600-01500611,Pharmakon16
0001500611,CCG-39040,CCG39040,NSC757384,NSC-757384,SR-05000001738-1,SR050000017381,SR-05000001738-2,SR050000017382,T1668,1500611,"VINBLASTINE SULFATE"}

> <pdid>
PD006244

> <targets>
{}

> <classes>
{antineoplastic,"spindle poison"}

> <pubchem_cids>
{9962911}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.2473   -8.7521    0.0000 N   0  0
    3.1332   -7.5416    0.0000 C   0  0
    4.6332   -7.5468    0.0000 S   0  0
    5.1017   -6.1218    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -7.8029    2.9887    0.0000 O   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4007    1.4818    0.0000 C   0  0
  -11.6971    0.7273    0.0000 C   0  0
  -11.6919   -0.7727    0.0000 C   0  0
  -10.3903   -1.5182    0.0000 C   0  0
   -9.0939   -0.7637    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.6747   -6.1134    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 13 26  1  0
 26 27  2  0
 27 10  1  0
  5 28  1  0
 28  2  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12199

> <plate>
PLATE 016

> <well>
E9

> <supplier_cmpd_name>
Mirabegron

> <ctcr_id>
5621

> <supplier_cmpd_id>
T1671

> <smiles>
Nc1scc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)n1

> <pd_targets>
{ADRB1,ADRB2,ADRB3}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{(S)-Mirabegron,(S)Mirabegron,"rac Mirabegron-d5","rac Mirabegrond5",1215807-38-7,1215807387,SCHEMBL805237,DTXSID80918937,HMS3652I15,HMS3744A15,BCP06891,STL453202,AKOS025401853,"Mirabegron Impurity 1 
((S)-Mirabegron)","Mirabegron Impurity 1 ((S)Mirabegron)",NCGC00389215-01,NCGC0038921501,AC-26393,AC26393,AK159772,DS-012603,DS012603,FT-0672412,FT0672412,"YM 178; YM-178;","YM 178; YM178;",T1671,S400
9,Mirabegron}

> <pdid>
PD009179

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{18319735}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    7.7318    1.1461    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 N   0  0
    1.3786    3.8595    0.0000 C   0  0
    1.8371    5.2877    0.0000 C   0  0
    3.3371    5.2929    0.0000 C   0  0
    3.8056    3.8680    0.0000 C   0  0
    5.2310    3.4009    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16  3  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12200

> <plate>
PLATE 016

> <well>
E10

> <supplier_cmpd_name>
Tipiracil hydrochloride

> <ctcr_id>
11121

> <supplier_cmpd_id>
T2366

> <smiles>
Cl.Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O

> <pd_targets>
{TYMP,DEOA}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of nucleotides","Nucleobase catabolism","Pyrimidine catabolism"}

> <broad_targets>
{}

> <broad_moa>
{"thymidine phosphorylase inhibitor"}

> <synonyms>
{"Tipiracil hydrochloride",183204-72-0,183204720,"Tipiracil HCl","Tipiracil (hydrochloride)",UNII-4H59KLQ0A4,UNII4H59KLQ0A4,4H59KLQ0A4,"183204-72-0 (HCl)","183204720 (HCl)",TAS-1-462,TAS1462,CHEMBL653
75,tipiracil.HCl,"Tipiracil hydrochloride (USAN)",Tipiracilhydrochloride,TPI,tip,T2366}

> <pdid>
PD007805

> <targets>
{"Nucleoside Antimetabolite/Analog"}

> <classes>
{"DNA Damage/DNA Repair"}

> <pubchem_cids>
{9903778}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 41  0  0  1  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0  1  0  0  0
   -5.1962    1.5000    0.0000 N   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    2.2500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    3.8873   -1.3970    0.0000 C   0  0
    4.9070   -2.4971    0.0000 O   0  0
    4.3308    0.0368    0.0000 N   0  0
    5.7940    0.3705    0.0000 C   0  0
    6.8120   -0.7312    0.0000 C   0  0
    8.2751   -0.4006    0.0000 C   0  0
    8.7203    1.0318    0.0000 C   0  0
    7.7024    2.1336    0.0000 C   0  0
    6.2393    1.8029    0.0000 C   0  0
    5.2209    2.9054    0.0000 C   0  0
    5.6653    4.3380    0.0000 F   0  0
    3.7579    2.5743    0.0000 F   0  0
    4.2026    4.0067    0.0000 F   0  0
    9.2935   -1.5030    0.0000 C   0  0
    8.8492   -2.9357    0.0000 F   0  0
   10.7565   -1.1719    0.0000 F   0  0
   10.3119   -2.6043    0.0000 F   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  6
  7  8  1  0
  9  8  1  1
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15  5  1  0
 15  9  1  0
 15 16  1  1
  6 17  1  0
 17  2  1  0
 17 18  1  1
 18 19  1  0
 19 20  1  0
 20  2  1  0
 20 21  1  1
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
 26 34  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12201

> <plate>
PLATE 016

> <well>
E11

> <supplier_cmpd_name>
Dutasteride

> <ctcr_id>
7381

> <supplier_cmpd_id>
T1499

> <smiles>
C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc5cc(ccc5C(F)(F)F)C(F)(F)F

> <pd_targets>
{SRD5A2,SRD5A1,GLRA1,ABCB11,SRD5A3}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transporter,Oxidoreductase,"Ligand-gated ion channel","Primary active transporter","Glycine receptor","ATP-binding cassette","ABCB subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels",Transporters,"1.-.-.- Oxidoreductases","Ligand-gated ion channels","ATP-binding cassette transporter family","Glycine receptors","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Metabolism of lipids","Transmission across Chemical Synapses","Metabolism of steroids","Neurotransmitter receptors and postsynaptic signal transmission","Metabolism of s
teroid hormones","Bile acid and bile salt metabolism","Androgen biosynthesis","Synthesis of bile acids and bile salts","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{SRD5A1,SRD5A2,SRD5A3}

> <broad_moa>
{"5 alpha reductase inhibitor"}

> <synonyms>
{Avodart,164656-23-9,164656239,GG-745,GG745,"GI 198745",GI-198745,GI198745,UNII-O0J6XJN02I,UNIIO0J6XJN02I,C27H30F6N2O2,O0J6XJN02I,CHEMBL1200969,Avolve,CHEBI:521033,"Dutasteride, 99","GG 745",Duagen,"A
vodart (TN)",Avidart,"Dutasteride (USAN:INN:BAN)",NCGC00164571-,NCGC00164571,S1202,Dutasteride}

> <pdid>
PD000896

> <targets>
{"5-alpha Reductase"}

> <classes>
{}

> <pubchem_cids>
{6918296}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 49 51  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   20.3081   -5.9566    0.0000 C   0  0
   19.0091   -5.2066    0.0000 N   0  0
   19.0091   -3.7066    0.0000 C   0  0
   17.7100   -2.9566    0.0000 C   0  0
   16.4110   -3.7066    0.0000 C   0  0
   16.4110   -5.2066    0.0000 C   0  0
   17.7101   -5.9566    0.0000 C   0  0
   14.9853   -5.6701    0.0000 S   0  0
   14.1036   -4.4566    0.0000 C   0  0
   14.9853   -3.2431    0.0000 N   0  0
   12.6053   -4.4535    0.0000 C   0  0
   11.8531   -5.7512    0.0000 O   0  0
   11.8568   -3.1527    0.0000 N   0  0
   10.3560   -3.1496    0.0000 C   0  0  2  0  0  0
    9.6058   -4.4486    0.0000 C   0  0
    8.1058   -4.4485    0.0000 C   0  0  2  0  0  0
    7.3559   -3.1495    0.0000 C   0  0
    8.1059   -1.8505    0.0000 C   0  0
    9.6059   -1.8505    0.0000 C   0  0  2  0  0  0
   10.3537   -0.5492    0.0000 N   0  0
    9.6014    0.7495    0.0000 C   0  0
    8.1014    0.7469    0.0000 O   0  0
   10.3492    2.0508    0.0000 C   0  0
   11.8492    2.0534    0.0000 O   0  0
    9.5969    3.3494    0.0000 N   0  0
   10.3447    4.6507    0.0000 C   0  0
    9.5947    5.9498    0.0000 N   0  0
   10.3447    7.2489    0.0000 C   0  0
   11.8447    7.2489    0.0000 C   0  0
   12.5947    5.9499    0.0000 C   0  0
   11.8447    4.6508    0.0000 C   0  0
   12.5947    8.5480    0.0000 Cl  0  0
    7.3527   -5.7467    0.0000 C   0  0
    8.1004   -7.0471    0.0000 O   0  0
    5.8519   -5.7445    0.0000 N   0  0
    5.0991   -7.0420    0.0000 C   0  0
    5.1042   -4.4442    0.0000 C   0  0
   22.8088    0.7504    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 13  1  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
 25 24  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 30 31  1  6
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 37  1  0
 40 43  1  0
 27 44  1  1
 44 45  2  0
 44 46  1  0
 46 47  1  0
 46 48  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12202

> <plate>
PLATE 016

> <well>
F2

> <supplier_cmpd_name>
Edoxaban Tosylate Monohydrate

> <ctcr_id>
11122

> <supplier_cmpd_id>
T2368

> <smiles>
Cc1ccc(cc1)S(=O)(=O)O.CN1CCc2c(C1)sc(n2)C(=O)N[C@@H]1C[C@H](CC[C@@H]1NC(=O)C(=O)Nc1ncc(cc1)Cl)C(=O)N(C)C.O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{F10}

> <broad_moa>
{"coagulation factor inhibitor"}

> <synonyms>
{"Edoxaban tosylate monohydrate",1229194-11-9,1229194119,"edoxaban tosylate hydrate",Lixiana,DU-176b,DU176b,"Edoxaban (tosylate monohydrate)",UNII-972203R4EW,UNII972203R4EW,"Edoxaban tosilate","Edoxab
an tosilate hydrate",SAVAYSA,"1229194-11-9 (tosylate hydr","1229194119 (tosylate hydr",T2368,"Edoxaban Tosylate Monohydrate"}

> <pdid>
PD009142

> <targets>
{"Factor Xa","Factor Xa",Thrombin}

> <classes>
{Metabolism,Others}

> <pubchem_cids>
{25022378}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 S   0  0
   -5.1047    0.0031    0.0000 C   0  0
   -5.8532    1.3039    0.0000 C   0  0
   -7.3533    1.3092    0.0000 C   0  0
   -8.0988    2.6109    0.0000 C   0  0
   -7.3442    3.9073    0.0000 C   0  0
   -5.8443    3.9021    0.0000 C   0  0
   -5.0988    2.6004    0.0000 C   0  0
   -5.0894    5.1991    0.0000 C   0  0  1  0  0  0
   -5.8327    6.5021    0.0000 C   0  0  1  0  0  0
   -5.0762    7.7973    0.0000 C   0  0  2  0  0  0
   -3.5762    7.7897    0.0000 C   0  0  1  0  0  0
   -2.8328    6.4869    0.0000 C   0  0  2  0  0  0
   -3.5893    5.1917    0.0000 O   0  0
   -1.3319    6.4824    0.0000 C   0  0
   -0.5772    7.7787    0.0000 O   0  0
   -2.8196    9.0849    0.0000 O   0  0
   -5.8196    9.1001    0.0000 O   0  0
   -7.3327    6.5097    0.0000 O   0  0
   -8.1078    0.0128    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9  4  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 17 15  1  1
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 21 23  1  1
 23 24  1  0
 20 25  1  6
 19 26  1  1
 18 27  1  6
 12 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12203

> <plate>
PLATE 016

> <well>
F3

> <supplier_cmpd_name>
Ipragliflozin

> <ctcr_id>
11123

> <supplier_cmpd_id>
T2385

> <smiles>
c1ccc2c(c1)cc(s2)Cc1c(ccc(c1)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)F

> <pd_targets>
{SLC5A1,SLC5A2}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC05 family of sodium-dependent glucose transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC5 family of sodium-dependent glucose transporters","Hexose transporter family"}

> <pathway_reactome>
{Disease,"Disorders of transmembrane transporters","SLC transporter disorders","Defective SLC5A1 causes congenital glucose/galactose malabsorption (GGM)","Defective SLC5A2 causes renal glucosuria (GLY
S1)"}

> <broad_targets>
{SLC5A2}

> <broad_moa>
{"sodium/glucose cotransporter inhibitor"}

> <synonyms>
{Ipragliflozin,761423-87-4,761423874,suglat,ASP1941,ASP-1941,UNII-3N2N8OOR7X,UNII3N2N8OOR7X,"Ipragliflozin (ASP1941)","Ipragliflozin (INN)",3N2N8OOR7X,CHEMBL2018096,"ASP 1941",ipragliflozin-L-proline,
ipragliflozinLproline,Tube104,SCHEMBL337645,C21H21FO5S,GTPL9394,CHEBI:134724,AMY38779,EX-,EX,T2385}

> <pdid>
PD056035

> <targets>
{SGLT2}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{10453870}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    7.0503  -11.0244    0.0000 C   0  0
    5.5827  -10.7143    0.0000 C   0  0
    5.1163   -9.2878    0.0000 C   0  0
    3.6479   -8.9775    0.0000 S   0  0
    2.6459  -10.0938    0.0000 O   0  0
    4.1134  -10.4035    0.0000 O   0  0
    3.1815   -7.5510    0.0000 N   0  0
    1.7131   -7.2408    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -2.6917   -6.3197    0.0000 F   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 Cl  0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    2.2449   -4.6977    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 16  1  0
 24 19  1  0
 22 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 25  1  0
 13 32  2  0
 32  8  1  0
 32 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12204

> <plate>
PLATE 016

> <well>
F4

> <supplier_cmpd_name>
Vemurafenib

> <ctcr_id>
503

> <supplier_cmpd_id>
T2382

> <smiles>
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)c4ccc(Cl)cc4)c1F

> <pd_targets>
{BRAF,MAP2K1,MAP2K2,ARAF,CHRM1,RAF1,KDR,CHRM3,MAP3K20,CHRM2,FECH,KRAS}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein",Kinase,"Family A G protein-coupled receptor","Protein Kinase","Small molecule receptor (family A GPCR)","TKL protein kinase group","STE protein kinas
e group","Monoamine receptor","TK protein kinase group","TKL protein kinase RAF family","STE protein kinase STE7 family","Acetylcholine receptor","Tyrosine protein kinase VEGFR family","TKL protein ki
nase MLK family","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","G protein-coupled receptors","3.6.5.2 Small monomeric GTPases","Receptor kinases","Acetylcholine receptors (muscarinic)","RAS subfamily","TKL: Tyrosine kinase
-like","TK: Tyrosine kinase","RAF family","Receptor tyrosine kinases (RTKs)","Mixed Lineage Kinase (MLK) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","MLK subfamil
y"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Neuronal System","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GP
CR","MAPK family signaling cascades","Metabolism of porphyrins","Transmission across Chemical Synapses","Signaling by NTRKs","Oncogenic MAPK signaling","GPCR ligand binding","MAPK1/MAPK3 signaling","S
ignaling by VEGF","Heme biosynthesis","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by NTRK1 (TRKA)","Signaling by RAS mutants","Class A/1 (Rhodopsin-like receptors)","R
AF/MAP kinase cascade","VEGFA-VEGFR2 Pathway","Activation of NMDA receptors and postsynaptic events","Signalling to ERKs","Signaling downstream of RAS mutants","Amine ligand-binding receptors","Negati
ve regulation of MAPK pathway","VEGFR2 mediated cell proliferation","Post NMDA receptor activation events","Prolonged ERK activation events","Muscarinic acetylcholine receptors","Negative feedback reg
ulation of MAPK pathway","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","ARMS-mediated activation","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{BRAF,RAF1}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{Vemurafenib,918504-65-1,918504651,PLX4032,Zelboraf,1029872-54-5,1029872545,PLX-4032,RG7204,"PLX 4032","RG 7204","Vemurafenib (PLX4032, RG7204)",RO5185426,"RO 5185426",UNII-207SMY3FQT,UNII207SMY3FQT,"
Vemurafenib (PLX4032)",RG-7204,207SMY3FQT,CHEBI:63637,MFCD18074504,NSC761431,Ve,T2382,761431,S1267,"NSC 761431",vemurafenib}

> <pdid>
PD003414

> <targets>
{Raf,"B-RafV600E kinase Inhibitor",Autophagy}

> <classes>
{BRAF inhibitor,Autophagy,MAPK/ERK Pathway}

> <pubchem_cids>
{42611257}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
  -14.8054    1.5994    0.0000 C   0  0
  -14.3471    0.1711    0.0000 N   0  0
  -15.3549   -0.9399    0.0000 C   0  0
  -14.8966   -2.3682    0.0000 C   0  0
  -13.4306   -2.6856    0.0000 N   0  0
  -12.9691   -4.1137    0.0000 C   0  0
  -11.5018   -4.4291    0.0000 C   0  0
  -10.4979   -3.3146    0.0000 C   0  0
   -9.0307   -3.6268    0.0000 C   0  0
   -8.5674   -5.0535    0.0000 C   0  0
   -7.1001   -5.3688    0.0000 N   0  0
   -6.6386   -6.7970    0.0000 C   0  0
   -7.6445   -7.9097    0.0000 O   0  0
   -5.1713   -7.1123    0.0000 C   0  0
   -4.7081   -8.5390    0.0000 C   0  0
   -3.2409   -8.8512    0.0000 C   0  0
   -2.2370   -7.7366    0.0000 C   0  0
   -0.7698   -8.0488    0.0000 C   0  0
   -2.7002   -6.3100    0.0000 C   0  0
   -4.1674   -5.9978    0.0000 C   0  0
   -1.6958   -5.1948    0.0000 C   0  0
   -0.6913   -4.0797    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -9.5715   -6.1680    0.0000 C   0  0
  -11.0386   -5.8558    0.0000 C   0  0
  -12.0431   -6.9709    0.0000 C   0  0
  -11.5808   -8.3979    0.0000 F   0  0
  -13.5102   -6.6582    0.0000 F   0  0
  -13.0476   -8.0849    0.0000 F   0  0
  -12.4228   -1.5745    0.0000 C   0  0
  -12.8811   -0.1462    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
 19 21  1  0
 21 22  3  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 23  1  0
 31 26  1  0
 10 32  1  0
 32 33  2  0
 33  7  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
  5 38  1  0
 38 39  1  0
 39  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12205

> <plate>
PLATE 016

> <well>
F5

> <supplier_cmpd_name>
Ponatinib

> <ctcr_id>
2107

> <supplier_cmpd_id>
T2372

> <smiles>
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc2C(F)(F)F)CC1

> <pd_targets>
{FGFR3,FGFR4,FGFR2,PDGFRA,ABL1,KIT,SRC,BCR,FGFR1,RIPK2,KDR,RET,FLT1,ABL2,LYN,PDGFRB,CDK8,CDK19,RIPK1,GSK3B,RIPK3,CCDC6,FLT3,TEK,LCK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Atypical protein kinase group","TKL protein kinase group","CMGC protein kinase group","Tyrosine protein kinase FGFR family","Tyrosine protein
 kinase PDGFR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Src family","Atypical protein kinase BCR family","TKL protein kinase RIPK family","Tyrosine protein kinase VEGFR fam
ily","Tyrosine protein kinase Ret family","CMGC protein kinase CDK family","CMGC protein kinase GSK family","Tyrosine protein kinase Tie family","CMGC protein kinase CDK8 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Cyclin-de
pendent kinase (CDK) family","Glycogen synthase kinase (GSK) family","BCR family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Receptor interacting protein kinase (RIPK)
 family","CDK8 subfamily","GSK subfamily","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Src family","Type IV RTKs: 
VEGF (vascular endothelial growth factor) receptor family","Type XIV RTKs: RET","Type XII RTKs: TIE family of angiopoietin receptors"}

> <pathway_reactome>
{Disease,"Signal Transduction","Immune System","Developmental Biology",Metabolism,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kin
ases","Infectious disease","Innate Immune System","Nervous system development","Intracellular signaling by second messengers","Metabolism of lipids","MAPK family signaling cascades","Signaling by FGFR
 in disease","Signaling by FGFR","Signaling by PDGFR in disease","Leishmania infection","Signaling by KIT in disease","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by VEGF","Axon guida
nce","PIP3 activates AKT signaling","Signaling by NOTCH1 in Cancer","Regulation of lipid metabolism by PPARalpha","SARS-CoV Infections","Signaling by Insulin receptor","MAPK1/MAPK3 signaling","HIV Inf
ection","Signaling by FGFR3 in disease","Signaling by FGFR4","Signaling by FGFR2 in disease","Drug resistance of PDGFR mutants","Parasite infection","Drug resistance of KIT mutants","Signaling by NTRK
1 (TRKA)","Signaling by FGFR1 in disease","Toll Like Receptor 5 (TLR5) Cascade","VEGFA-VEGFR2 Pathway","RET signaling","VEGF ligand-receptor interactions","Leishmania parasite growth and survival","Ne
gative regulation of the PI3K/AKT network","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","PPARA activates gene expression","Toll Like Receptor 4 (TLR4) Cascade","SARS-CoV-1 Infection","Insuli
n receptor signalling cascade","RAF/MAP kinase cascade","Host Interactions of HIV factors","Signaling by FGFR3 point mutants in cancer","Downstream signaling of activated FGFR4","FGFR2 mutant receptor
 activation","Imatinib-resistant PDGFR mutants","Leishmania phagocytosis","Dasatinib-resistant KIT mutants","Signalling to ERKs","FGFR1 mutant receptor activation","MyD88 cascade initiated on plasma m
embrane","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization","Anti-inflammatory response favouring Leishmania parasite infection",PI5P,"PP2A and IER3 Regulate P
I3K/AKT Signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","MyD88-independent TLR4 cascade","SARS-CoV-1 Genome Replication and Transcription","IRS-mediated signalling","The role of N
ef in HIV-1 replication and disease pathogenesis","FGFR3 mutant receptor activation","FRS-mediated FGFR4 signaling","Activated point mutants of FGFR2","FCGR3A-mediated phagocytosis","Signalling to RAS
","Signaling by activated point mutants of FGFR1","MAP kinase activation","FCGR3A-mediated IL10 synthesis","TRIF(TICAM1)-mediated TLR4 signaling","Replication of the SARS-CoV-1 genome","PI3K Cascade",
"Signaling by cytosolic FGFR1 fusion mutants","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signaling by activated point mutants of FGFR3","p38MAPK 
events","activated TAK1 mediates p38 MAPK activation","IKK complex recruitment mediated by RIP1","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
{ABL1,BCR,FGFR1,FGFR2,FGFR3,FGFR4,FLT3,KDR,KIT,LCK,LYN,PDGFRA,RET,SRC,TEK}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","FLT3 inhibitor","PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{D09950,Q-4579,Q4579,AB01565847_03,AB0156584703,AB01565847-03,"AB01565847 03",Q198728,PONATINIB,943319-70-8,943319708,AP24534,"Ponatinib (AP24534)","AP 24534",Iclusig,AP-24534,UNII-4340891KFS,UNII4340
891KFS,AP24534(Ponatinib),CHEMBL1171837,CHEBI:78543,"943319-70-8 (free base)","943319708 (free base)",4340891KFS,C29H27F3N6O,"Ponatinib (USAN:INN)",T2372,758487,Ponatinib,S1490}

> <pdid>
PD004100

> <targets>
{"FGFR | FLT-3 | Src-bcr-Abl | VEGFR-",Flt,FGFR,VEGFR,Bcr-Abl,PDGFR,Autophagy,Src}

> <classes>
{Bcr-Abl inhibitor,Angiogenesis,Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{24826799}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4007    1.4818    0.0000 C   0  0
  -11.6971    0.7273    0.0000 C   0  0
  -11.6919   -0.7727    0.0000 C   0  0
  -12.9883   -1.5272    0.0000 F   0  0
  -10.3903   -1.5182    0.0000 C   0  0
   -9.0939   -0.7637    0.0000 C   0  0
   -6.4964   -0.7598    0.0000 C   0  0
   -7.7931   -1.5140    0.0000 C   0  0
   -7.7884   -3.0140    0.0000 C   0  0
   -6.4871   -3.7599    0.0000 N   0  0
   -6.4824   -5.2599    0.0000 C   0  0
   -5.1904   -3.0059    0.0000 C   0  0
   -5.1950   -1.5059    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 16  1  0
 14 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 23  1  0
  9 30  1  0
 30 31  2  0
 31  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12206

> <plate>
PLATE 016

> <well>
F6

> <supplier_cmpd_name>
Pimavanserin

> <ctcr_id>
11124

> <supplier_cmpd_id>
T2076

> <smiles>
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1

> <pd_targets>
{HTR2C,HTR2A}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Serotonin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Serotonin receptors"}

> <broad_targets>
{DRD2,HTR2A}

> <broad_moa>
{"serotonin receptor inverse agonist"}

> <synonyms>
{Pimavanserin,706779-91-1,706779911,"706779 91 1",ACP-103,ACP103,"ACP 103",1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methylpiperidin-4-yl)urea,1(4Fluorobenzyl)3(4isobutoxybenzyl)1(1methylpiperidin
4yl)urea,"1 (4 Fluorobenzyl) 3 (4 isobutoxybenzyl) 1 (1 methylpiperidin 4 yl)urea",UNII-JZ963P0DIK,UNIIJZ963P0DIK,"UNII JZ963P0DIK","Pimavanserin free base",JZ963P0DIK,"706779-91-1 (free base)","70677
9911 (free base)","706779 91 1 (free base)","Pimavanserin (INN)",706782-28-7,706782287,"706782 28 7",Pimanavserin,methyltrimeth,T2076}

> <pdid>
PD008625

> <targets>
{5-HT2A}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{10071196}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 45  0  0  1  0            999 V2000
   14.2784   -3.0066    0.0000 Na  0  3
    3.8858   -0.7535    0.0000 C   0  0
    3.8860    0.7465    0.0000 C   0  0
    2.5870   -0.0036    0.0000 C   0  0
    2.5868    1.4962    0.0000 O   0  0
    5.1860    1.4964    0.0000 C   0  0
    5.1866    2.9964    0.0000 C   0  0
    6.4859    3.7459    0.0000 C   0  0
    7.7847    2.9954    0.0000 C   0  0
    7.7841    1.4954    0.0000 C   0  0
    6.4848    0.7458    0.0000 C   0  0
    6.4872   -0.7550    0.0000 C   0  0
    7.7877   -1.5041    0.0000 C   0  0
    7.7902   -3.0050    0.0000 C   0  0  1  0  0  0
    9.0907   -3.7541    0.0000 S   0  0
    9.0932   -5.2549    0.0000 C   0  0
   10.3937   -6.0040    0.0000 C   0  0
   11.7784   -6.0690    0.0000 C   0  0
   11.0269   -4.7708    0.0000 C   0  0
   10.3957   -7.5052    0.0000 C   0  0
    9.0974   -8.2582    0.0000 C   0  0
    7.7971   -7.5103    0.0000 O   0  5
    9.0994   -9.7582    0.0000 O   0  0
    6.4915   -3.7571    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 Cl  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    5.1925   -3.0070    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  1  0
 14 13  1  1
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 17  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 14 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 39 40  1  0
 40 34  1  0
 40 41  2  0
 41 31  1  0
 28 42  2  0
 42 24  1  0
M  CHG  2   1   1  22  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12207

> <plate>
PLATE 016

> <well>
F7

> <supplier_cmpd_name>
Montelukast sodium

> <ctcr_id>
5120

> <supplier_cmpd_id>
T1677L

> <smiles>
[Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC2)CC([O-])=O)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"MONTELUKAST SODIUM",151767-02-1,151767021,Singulair,Montair,"Montelukast (sodium)",MK-0476,MK0476,UNII-U1O3J18SFL,UNIIU1O3J18SFL,"MONTELUKAST Na",MK-476,MK476,U1O3J18SFL,CHEBI:6993,"151767-02-1 (sod
ium)","151767021 (sodium)","Montelukast sodium salt",DSSTox_CID_26450,DSSToxCID26450,DSSTox-CID-26450,"DSSTox CID 26450",DSSTox_RID_81624,DSSToxRID81624,DSSTox-RID-81624,"DSSTox RID 81624",DSSTox_GSID
_464,DSSToxGSID464,DSSTox-GSID-464,"DSSTox GSID 464",T1677L,SAM001246657,"Montelukast sodium",CPD000469188}

> <pdid>

> <targets>
{Leukotriene Receptor}

> <classes>
{GPCR/G Protein}

> <pubchem_cids>
{23663996}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5532   -4.4223    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.7622   -9.1698    0.0000 C   0  0
   -1.2990  -10.5965    0.0000 C   0  0
   -2.3028  -11.7111    0.0000 C   0  0
   -3.7700  -11.3990    0.0000 C   0  0
   -4.7767  -12.5121    0.0000 C   0  0
   -6.2443  -12.1977    0.0000 C   0  0
   -7.2510  -13.3108    0.0000 C   0  0
   -6.7902  -14.7383    0.0000 O   0  0
   -8.7185  -12.9965    0.0000 N   0  0
   -9.7247  -14.1089    0.0000 O   0  0
   -4.2333   -9.9723    0.0000 C   0  0
   -3.2294   -8.8578    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10  2  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 18 25  1  0
 25 26  2  0
 26 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12208

> <plate>
PLATE 016

> <well>
F8

> <supplier_cmpd_name>
Panobinostat

> <ctcr_id>
7451

> <supplier_cmpd_id>
T2383

> <smiles>
Cc1[nH]c2ccccc2c1CCNCc3ccc(\C=C\C(=O)NO)cc3

> <pd_targets>
{HDAC7,HDAC5,HDAC6,HDAC8,HDAC9,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,BRD4,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,Reader,"Histone deacetylase",Bromodomain,"HDAC class IIa","HDAC class IIb","HDAC class I","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription",Mitotic,"Disorders of Devel
opmental Biology","Infectious disease","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","M Phase","Disorders of Nervous System Development","SARS-CoV Infections","Signaling by NOTCH1 HD
+PEST Domain Mutants in Cancer","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Pervasive developmental disorders","Transcriptional Regulation by TP53","Potential therapeutics 
for SARS","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX2 regulates bone development","Mitotic Anaphase","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","RU
NX2 regulates osteoblast differentiation","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability 
to the NCoR/SMRT complex","RUNX2 regulates chondrocyte maturation"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC4,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{AM808102,AS-17046,AS17046,HY-10224,HY10224,QC-10419,QC10419,SMR004702978,Panobinostat,404950-80-7,404950807,LBH589,LBH-589,Farydak,Faridak,"LBH 589","Panobinostat (LBH589)",NVP-LBH-589,NVPLBH589,UNII
-9647FM7Y3Z,UNII9647FM7Y3Z,LBH-589B,LBH589B,CHEBI:85990,9647FM7Y3Z,"404950-80-7 (free base)","404950807 (free base)",NVP-LBH589,"Farydak (TN)",T2383,761190,S1030}

> <pdid>
PD003575

> <targets>
{HDAC,Apoptosis,Autophagy,HIV}

> <classes>
{Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{6918837}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 40  0  0  1  0            999 V2000
   -0.4617  -12.2139    0.0000 C   0  0
    0.2911  -10.9165    0.0000 N   0  0
   -0.4566   -9.6161    0.0000 C   0  0
    1.7919  -10.9187    0.0000 C   0  0
    2.5396  -12.2190    0.0000 O   0  0
    2.5450   -9.6205    0.0000 C   0  0  2  0  0  0
    4.0450   -9.6205    0.0000 C   0  0
    4.7951   -8.3215    0.0000 C   0  0
    4.0452   -7.0225    0.0000 C   0  0  2  0  0  0
    4.7983   -5.7243    0.0000 N   0  0
    6.2992   -5.7266    0.0000 C   0  0
    7.0468   -7.0270    0.0000 O   0  0
    7.0524   -4.4284    0.0000 C   0  0
    6.3047   -3.1280    0.0000 O   0  0
    8.5532   -4.4307    0.0000 N   0  0
    9.3064   -3.1325    0.0000 C   0  0
   10.8064   -3.1326    0.0000 C   0  0
   11.5565   -1.8336    0.0000 C   0  0
   10.8067   -0.5345    0.0000 C   0  0
   11.5568    0.7645    0.0000 Cl  0  0
    9.3067   -0.5344    0.0000 C   0  0
    8.5565   -1.8333    0.0000 N   0  0
    2.5451   -7.0223    0.0000 C   0  0  2  0  0  0
    1.7951   -8.3214    0.0000 C   0  0
    1.7974   -5.7210    0.0000 N   0  0
    2.5497   -4.4224    0.0000 C   0  0
    4.0497   -4.4250    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  6  4  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 16  1  0
  9 23  1  0
 23 24  1  0
 24  6  1  0
 23 25  1  6
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 30  2  0
 36 37  1  0
 37 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12209

> <plate>
PLATE 016

> <well>
F9

> <supplier_cmpd_name>
Edoxaban

> <ctcr_id>
7908

> <supplier_cmpd_id>
T2368L

> <smiles>
CN(C)C(=O)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](C1)NC(=O)c3nc4CCN(C)Cc4s3

> <pd_targets>
{F10}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease PA clan","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PA: Serine (S) Peptidases","S1: Chymotrypsin"}

> <pathway_reactome>
{Disease,"Diseases of hemostasis","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Defective factor IX causes hemophilia B","Defective F9 variant does not activate FX"}

> <broad_targets>
{F10}

> <broad_moa>
{"coagulation factor inhibitor"}

> <synonyms>
{25552928,1255529-28-2,1255529282,SCHEMBL716662,CHEMBL4303203,MFCD27987163,ZINC114447089,AS-52088,AS52088,CS-0055711,CS0055711,SW219211-1,SW2192111,S7280,Edoxaban}

> <pdid>
PD009142

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{49822384}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 43  0  0  0  0            999 V2000
    3.9068   -0.7607    0.0000 C   0  0
    2.6046   -1.5052    0.0000 O   0  0
    2.5973   -3.0060    0.0000 C   0  0
    3.8942   -3.7597    0.0000 C   0  0
    3.8899   -5.2597    0.0000 C   0  0
    2.5887   -6.0060    0.0000 C   0  0
    1.2918   -5.2523    0.0000 C   0  0
    1.2961   -3.7523    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 N   0  0
   -5.1903   -1.4821    0.0000 C   0  0
   -6.4841   -0.7230    0.0000 C   0  0
   -6.4738    0.7769    0.0000 C   0  0
   -5.1696    1.5179    0.0000 C   0  0
   -3.8758    0.7590    0.0000 C   0  0
   -2.5693    1.4977    0.0000 N   0  0
   -1.2759    0.7365    0.0000 C   0  0
   -1.2888   -0.7634    0.0000 O   0  0
    0.0306    1.4752    0.0000 C   0  0
    1.3233    0.7144    0.0000 C   0  0
   -3.8861   -0.7410    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
   -5.2096   -5.9864    0.0000 C   0  0
   -5.2157   -7.4863    0.0000 F   0  0
   -6.5058   -5.2315    0.0000 F   0  0
   -6.5115   -6.7312    0.0000 F   0  0
    5.1874   -6.0137    0.0000 N   0  0
    6.4899   -5.2696    0.0000 C   0  0
    7.7856   -6.0253    0.0000 C   0  0
    7.7789   -7.5253    0.0000 N   0  0
    6.4766   -8.2695    0.0000 C   0  0
    5.1809   -7.5138    0.0000 C   0  0
    9.0738   -8.2841    0.0000 C   0  0
    9.0650   -9.7841    0.0000 O   0  0
   10.3774   -7.5422    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 20 26  2  0
 26 16  1  0
 14 27  2  0
 27 10  1  0
 13 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
  5 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
 35 38  1  0
 38 39  2  0
 38 40  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12210

> <plate>
PLATE 016

> <well>
F10

> <supplier_cmpd_name>
Rociletinib

> <ctcr_id>
5014

> <supplier_cmpd_id>
T2369

> <smiles>
COc1cc(ccc1Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)N4CCN(CC4)C(=O)C

> <pd_targets>
{EGFR,ALK,ERBB2,ERBB3,ERBB4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase EGFR family","TKL protein kinase STKR family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XIX RTKs: Leukocyte tyr
osine kinase (LTK) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","Intracellular signaling by second messengers","GPCR downstream signalling","PIP3 activates AKT signaling","G alpha (q) signalling events","Negative regulati
on of the PI3K/AKT network","Gastrin-CREB signalling pathway via PKC and MAPK",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","EGFR Transactivation by Gastrin"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{NX41,Rociletinib,1374640-70-6,1374640706,CO-1686,CO1686,AVL-301,AVL301,CNX-419,CNX419,"CO-1686 (AVL-301)","CO1686 (AVL301)",UNII-72AH61702G,UNII72AH61702G,"Rociletinib (CO-1686, AVL-301)","Rociletini
b (CO1686, AVL301)",72AH61702G,CS-1631,CS1631,"Rociletinib (USAN:INN)","CO 1686",Tube721,"Rociletinib (USAN/INN)","Rociletinib; CO-1686","Rociletinib; CO1686",T2369,S7284}

> <pdid>
PD010366

> <targets>
{EGFR}

> <classes>
{Protein Tyrosine Kinase,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{57335384}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.8805   -1.4410    0.0000 O   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -2.5536   -4.4230    0.0000 C   0  0
   -1.7031   -5.6606    0.0000 C   0  0
   -2.3532   -7.0124    0.0000 C   0  0
   -3.8489   -7.1253    0.0000 C   0  0
   -4.4991   -8.4771    0.0000 O   0  0
   -4.6946   -5.8864    0.0000 N   0  0
   -4.0444   -4.5346    0.0000 C   0  0
   -4.8897   -3.2954    0.0000 O   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6924   -4.0811    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 10  1  0
 16 17  2  0
  9 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  1  0
 20  6  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12211

> <plate>
PLATE 016

> <well>
F11

> <supplier_cmpd_name>
Pomalidomide

> <ctcr_id>
686

> <supplier_cmpd_id>
T2384

> <smiles>
Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

> <pd_targets>
{GAPC,IL1B,CRBN,IL6,MDC1,TNF,CSF2,CCL3,IKZF3,IKZF1,CUL4A,DDB1,RBX1,PTGS2}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Unclassified protein",Oxidoreductase}

> <pathway_chembl>
{Enzymes,"E3 ubiquitin ligase components","Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Disease,"DNA Repair","Immune System","Gene expression (Transcription)","Signal Transduction",Metabolism,"Infectious disease","DNA Double-Strand Break Repair","Cytokine Signaling in Immune system","RN
A Polymerase II Transcription","Signaling by GPCR","Metabolism of lipids","Leishmania infection","SARS-CoV Infections","Homology Directed Repair","Signaling by Interleukins","Generic Transcription Pat
hway","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Cell recruitment (pro-inflammatory response)","Potential therapeutics for SARS","Leishmania parasite growth and
 survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interleukin-10 signaling","Transcriptional regulation by RUNX1","Class A/1 (Rhodopsin-like receptors)","Biosyn
thesis of DPA-derived SPMs","Purinergic signaling in leishmaniasis infection","Anti-inflammatory response favouring Leishmania parasite infection","Processing of DNA double-strand break ends","RUNX1 r
egulates transcription of genes involved in differentiation of myeloid cells","Peptide ligand-binding receptors","Biosynthesis of DPAn-3 SPMs","ADORA2B mediated anti-inflammatory cytokines production"
,"Chemokine receptors bind chemokines"}

> <broad_targets>
{}

> <broad_moa>
{"angiogenesis inhibitor","tumor necrosis factor production inhibitor"}

> <synonyms>
{C404,Pomalidomide,19171-19-8,19171198,"4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione","4amino2(2,6dioxopiperidin3yl)isoindoline1,3dione",Actimid,CC-4047,CC4047,Pomalyst,Imnovid,"4-Amino-2-
(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione","4Amino2(2,6dioxo3piperidyl)isoindoline1,3dione",4-Aminothalidomide,4Aminothalidomide,"Pomalidomide (CC-4047)","Pomalidomide (CC4047)",3-Amino-N-(2,3Amino
N(2,6-dioxo-3-piperi,6dioxo3piperi,T2384,775351,S1567}

> <pdid>
PD004117

> <targets>
{TNF-alpha,COX,Apoptosis,Ligand for E3 Ligase}

> <classes>
{Apoptosis,PROTAC}

> <pubchem_cids>
{134780}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    9.9949    2.8884    0.0000 C   0  0
    9.3803    1.5201    0.0000 C   0  0
    7.8873    1.3671    0.0000 S   0  0
    7.0092    2.5832    0.0000 O   0  0
    8.5012    2.7357    0.0000 O   0  0
    7.2749    0.0036    0.0000 N   0  0
    5.8727   -0.5294    0.0000 C   0  0
    6.4440   -1.8462    0.0000 C   0  0
    7.3224   -3.0632    0.0000 C   0  0
    8.8156   -2.9119    0.0000 C   0  0
   10.3080   -2.7606    0.0000 N   0  0
    7.8079   -1.3985    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   12.8095   -0.9528    0.0000 O   0  0
   14.1088   -0.2033    0.0000 P   0  0
   15.4080   -0.9528    0.0000 O   0  0
   14.1088    1.2967    0.0000 O   0  0
   14.1088   -1.7033    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  3  0
  8 12  1  0
 12  6  1  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 18  1  0
 26 22  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 28 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12212

> <plate>
PLATE 016

> <well>
G2

> <supplier_cmpd_name>
Baricitinib Phosphate

> <ctcr_id>
202

> <supplier_cmpd_id>
T2360

> <smiles>
CCS(=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3ncnc4[nH]ccc34.OP(=O)(O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NCB424ANALOGU,"Baricitinib phosphate",1187595-84-1,1187595841,"Baricitinib (phosphate)","Baricitinib phosphate salt","1187595-84-1 (phosphate)","1187595841 (phosphate)",UNII-XIB47S8NNB,UNIIXIB47S8NNB
,XIB47S8NNB,INCB-28050,INCB28050,SCHEMBL871037,DTXSID30657980,SYN1117,C16H17N7O2S.H3PO4,BCP15527,HY-1531,HY1531,T2360,SY-INCB424-Analogue,Baricitinib Phosphate,INCB424-Analogue}

> <pdid>

> <targets>
{JAK,JAK2,JAK1}

> <classes>
{}

> <pubchem_cids>
{44231848}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 44  0  0  1  0            999 V2000
    3.5460   -2.4706    0.0000 O   0  0
    2.7117   -1.2364    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -2.5981    0.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7272    1.1906    0.0000 C   0  0
    3.6011   -0.0285    0.0000 C   0  0  1  0  0  0
    5.0045   -0.5307    0.0000 O   0  0
    4.9799   -2.0305    0.0000 C   0  0  1  0  0  0
    6.1795   -2.9323    0.0000 C   0  0
    6.1102   -4.4258    0.0000 C   0  0
    7.3736   -5.2344    0.0000 C   0  0
    8.7056   -4.5446    0.0000 C   0  0
    8.7742   -3.0461    0.0000 C   0  0
    7.5108   -2.2375    0.0000 C   0  0
    1.3949   -1.7454    0.0000 C   0  0
    1.8092   -2.4288    0.0000 C   0  0
    0.3208   -2.2427    0.0000 O   0  0
    2.3922   -3.8118    0.0000 C   0  0
    1.4867   -5.0087    0.0000 O   0  0
    2.0696   -6.3917    0.0000 C   0  0
    3.5580   -6.5778    0.0000 O   0  0
    1.1641   -7.5886    0.0000 C   0  0
    1.7467   -8.9709    0.0000 C   0  0
   -0.3243   -7.4025    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13  7  1  0
  8 14  1  0
 14 15  1  0
  5 15  1  1
  7 16  1  6
  6 17  1  0
 17 18  1  6
 17 19  1  0
 19  3  1  0
  4 20  1  6
 21 20  1  1
 21  2  1  0
 21 22  1  0
 22 23  1  0
 23  1  1  0
 23 24  1  1
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
  3 30  1  6
  2 31  1  6
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12213

> <plate>
PLATE 016

> <well>
G3

> <supplier_cmpd_name>
Ciclesonide

> <ctcr_id>
11125

> <supplier_cmpd_id>
T2526

> <smiles>
O1[C@]2([C@@]3([C@H]([C@H]4[C@@H]([C@@]5(C(=CC(=O)C=C5)CC4)C)[C@@H](O)C3)C[C@H]2O[C@H]1C1CCCCC1)C)C(=O)COC(=O)C(C)C

> <pd_targets>
{NR3C1,REP}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Nuclear receptor",Transferase,"Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member
 1"}

> <pathway_chembl>
{Receptors,"Other protein targets","Nuclear hormone receptors","Anti-infective targets","Steroid hormone receptors","Viral protein targets","3C. 3-Ketosteroid receptors","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Infectious disease","Generic Transcription Pathway","SARS-CoV Infections","FOXO-mediated transcription","SARS-CoV-2 Infect
ion","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","SARS-CoV-2 Genome Replication and Transcription","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{NR3C1,SERPINA6}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{Osonase,Osonide,Ciclesonide,Omnaris,Alvesco,Zetonna,126544-47-6,126544476,RPR251526,UNII-S59502J185,UNIIS59502J185,RPR-251526,S59502J185,141845-82-1,141845821,Omnair,"RPR 251526","Alvesco HFA","Omnar
is HFA","Alvesco (TN)","Omnaris (TN)","Ciclesonide (USAN:INN)",BTR-15K,BTR15K,Cicleso,T2526}

> <pdid>
PD009509

> <targets>
{"Glucocorticoid Receptor"}

> <classes>
{Metabolism}

> <pubchem_cids>
{6918155}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0
   -6.4972   -0.7365    0.0000 C   0  0
   -7.7988   -1.4820    0.0000 Cl  0  0
   -6.4920    0.7635    0.0000 N   0  0
   -5.1903    1.5090    0.0000 C   0  0
   -5.1821    3.0099    0.0000 S   0  0
   -3.8787    3.7539    0.0000 C   0  0
   -3.8704    5.2547    0.0000 C   0  0
   -5.1655    6.0115    0.0000 O   0  0
   -2.5677    5.9984    0.0000 O   0  0
   -3.8939    0.7546    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 13 19  2  0
 19  8  1  0
  6 20  2  0
 20  2  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12214

> <plate>
PLATE 016

> <well>
G4

> <supplier_cmpd_name>
Pirinixic Acid

> <ctcr_id>
5004

> <supplier_cmpd_id>
T2269

> <smiles>
Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C

> <pd_targets>
{HPGD,AKR1B1,PPARG,SMN1,CYP3A4,RXRA,PPARA,KDM4E,ALDH1A1,PPARD,ALD,ABCB11,KMT2A,MEN1,RXRB,RXRG,CYP2D6,ALOX15,ABCC4}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator",Transporter,Oxidoreductase,"Nuclear receptor",Reader,"Cytochrome P450",Eraser,"Primary active transporter","Nuclear hormone receptor subfamily 1",
"Methyl-lysine/arginine binding protein","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 2","Lysine demethylase","ATP-binding cassette",Bromodomain,"Cytochrome P450 family 2","Nuclear h
ormone receptor subfamily 1 group C","Tudor domain","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 2 group B","Jumonji domain-containing","ABCB subfamily","Cytochrome P450 family 2D",
"ABCC subfamily","Nuclear hormone receptor subfamily 1 group C member 3","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 2 group B member 1","Nuclear hormone receptor subfamily 1 group C mem
ber 1","Nuclear hormone receptor subfamily 1 group C member 2","Nuclear hormone receptor subfamily 2 group B member 2","Nuclear hormone receptor subfamily 2 group B member 3","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Eicosanoid turnover","1.-.-.- Oxidoreductases","Nuclear hormone receptors","Cytochrome P450","Chromatin modifying enzymes","ATP-binding cassette transporter family","P
rostaglandin synthases","1C. Peroxisome proliferator-activated receptors","CYP3 family","2B. Retinoid X receptors","1.14.11.- Histone demethylases","ABCB subfamily","CYP2 family: drug metabolising sub
set",Lipoxygenases,"ABCC subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of RNA",Hemostasis,"Metabolism of lipids","RNA Polymerase II Transcription","Metabolism of non-coding RNA","Biological oxidations","The citric
 acid (TCA) cycle and respiratory electron transport","Platelet activation","signaling and aggregation","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Generic Tr
anscription Pathway","snRNP Assembly","Phase I - Functionalization of compounds","Pyruvate metabolism and Citric Acid (TCA) cycle","Response to elevated platelet cytosolic Ca2+","Biosynthesis of DHA-d
erived SPMs","Metabolism of steroid hormones","Transcriptional Regulation by MECP2","Bile acid and bile salt metabolism","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Ethanol oxidation","
Pyruvate metabolism","Nuclear Receptor transcription pathway","Cytochrome P450 - arranged by substrate type","Biosynthesis of DPA-derived SPMs","Platelet degranulation","Biosynthesis of D-series resol
vins","Pregnenolone biosynthesis","MECP2 regulates transcription factors","Biosynthesis of maresins","Synthesis of bile acids and bile salts","Activation of gene expression by SREBF (SREBP)","Regulati
on of pyruvate dehydrogenase (PDH) complex",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresin-like SPMs","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Synthesis 
of bile acids and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{PPARA}

> <broad_moa>
{"PPAR receptor agonist"}

> <synonyms>
{"Pirinixic acid",50892-23-4,50892234,WY-14643,WY14643,"(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid","(4Chloro6(2,3xylidino)2pyrimidinylthio)acetic acid","WY-14,643","WY14,643","Wy 14643"
,"WY-14643 (Pirinixic Acid)","WY14643 (Pirinixic Acid)","Wyeth 14,643",UNII-86C4MRT55A,UNII86C4MRT55A,NSC310038,NSC-310038,((4-Chloro-6-((2,((4Chloro6((2,3-dimethylphe,3dimethylphe,T2269,S8029,1505106
,"Pirinixic Acid","PIRINIXIC ACID"}

> <pdid>
PD000627

> <targets>
{}

> <classes>
{"agonist of peroxisome proliferator activator receptors"}

> <pubchem_cids>
{5694}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    2.5988   -1.5004    0.0000 C   0  0
    3.8978   -2.2504    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 S   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.8201    4.6575    0.0000 C   0  0  2  0  0  0
   -6.3124    4.8094    0.0000 C   0  0
   -3.9423    5.8748    0.0000 C   0  0  1  0  0  0
   -4.5567    7.2441    0.0000 C   0  0
   -3.6789    8.4614    0.0000 N   0  0
   -4.1574    9.8696    0.0000 N   0  0
   -2.9452   10.7531    0.0000 C   0  0
   -1.7303    9.8733    0.0000 N   0  0
   -2.1917    8.4460    0.0000 C   0  0
   -3.0644    7.0911    0.0000 O   0  0
   -2.4492    5.7228    0.0000 C   0  0
   -1.8347    4.3545    0.0000 C   0  0
   -0.3424    4.2025    0.0000 C   0  0
    0.5353    5.4189    0.0000 C   0  0
   -0.0792    6.7872    0.0000 C   0  0
   -1.5715    6.9392    0.0000 C   0  0
    0.7985    8.0036    0.0000 F   0  0
   -2.4198    3.5435    0.0000 F   0  0
  1  2  3  0
  1  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13  9  2  0
 11 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 18  1  0
 16 23  1  1
 16 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 28 30  1  0
 25 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12215

> <plate>
PLATE 016

> <well>
G5

> <supplier_cmpd_name>
Isavuconazole

> <ctcr_id>
11126

> <supplier_cmpd_id>
T2305

> <smiles>
C(#N)c1ccc(cc1)c1nc(sc1)[C@H](C)[C@@](Cn1ncnc1)(O)c1c(ccc(c1)F)F

> <pd_targets>
{KCNH2,ERG11,CACNA1C,KCNJ6,KCNJ9,KCNJ11,KCNA5,KCND3,KCNQ1,SCN5A}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Voltage-gated ion channel","Cytochrome P450","Potassium channels","Cytochrome P450 family 51","Voltage-gated potassium channel","Cytochrome P450 family 51A","Cytochrome P450 51A
1","Voltage-gated calcium channel","Voltage-gated sodium channel","Inwardly rectifying potassium channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Potassium channels","Voltage-gated potassium channels","Voltage-gated calcium channels","Voltage-gated sodium channels","Inwardly rectifying potassium cha
nnels"}

> <pathway_reactome>
{"Muscle contraction","Cardiac conduction","Phase 3 - rapid repolarisation","Developmental Biology","Neuronal System",Disease,"Nervous system development","Transmission across Chemical Synapses","Diso
rders of transmembrane transporters","Potassium Channels","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","ABC transporter disorders","Voltage gated Potassium channel
s","Phase 1 - inactivation of fast Na+ channels","Phase 2 - plateau phase","NCAM signaling for neurite out-growth","GABA receptor activation","Defective ABCC8 can cause hypo- and hyper-glycemias","L1C
AM interactions","NCAM1 interactions","GABA B receptor activation","Interaction between L1 and Ankyrins","Activation of GABAB receptors","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma sub
units"}

> <broad_targets>
{}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{Isavuconazole,241479-67-4,241479674,isavuconazol,"BAL 4815",BAL-4815,BAL4815,UNII-60UTO373KE,UNII60UTO373KE,"Isavuconazole (INN)",60UTO373KE,CHEBI:85979,1286730-05-9,1286730059,"Isavuconazole(BAL-481
5; RO-0094815)","Isavuconazole(BAL4815; RO0094815)",RO-0094815,RO0094815,Bal4815,isavuconazolum,"RO 0094815",BAL-8557(pro-drug),BAL8557(prodrug),SCHE,T2305}

> <pdid>
PD052298

> <targets>
{Antifungal}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{6918485}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 35  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -5.1953    1.5031    0.0000 O   0  0
   -5.1932    3.0039    0.0000 C   0  0
   -6.4914    3.7570    0.0000 C   0  0
   -6.4893    5.2578    0.0000 C   0  0
   -7.7875    6.0109    0.0000 C   0  0
   -7.7854    7.5117    0.0000 N   0  0
   -9.0818    8.2663    0.0000 C   0  0
   -9.0766    9.7663    0.0000 C   0  0
   -7.7750   10.5118    0.0000 N   0  0
   -6.4785    9.7573    0.0000 C   0  0
   -6.4837    8.2573    0.0000 C   0  0
   -7.7698   12.0125    0.0000 C   0  0
   -6.4670   12.7561    0.0000 C   0  0
   -6.4594   14.2561    0.0000 C   0  0
   -7.7547   15.0126    0.0000 C   0  0
   -9.0575   14.2691    0.0000 C   0  0
   -9.0650   12.7692    0.0000 C   0  0
  -10.4931   12.3128    0.0000 C   0  0
  -11.3686   13.5308    0.0000 C   0  0
  -10.4809   14.7399    0.0000 S   0  0
    2.5981    1.5000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  1  0
  2 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12216

> <plate>
PLATE 016

> <well>
G6

> <supplier_cmpd_name>
Brexpiprazole

> <ctcr_id>
11127

> <supplier_cmpd_id>
T2306

> <smiles>
c1c(nc2c(c1)ccc(c2)OCCCCN1CCN(CC1)c1cccc2c1ccs2)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{913611-97-9,913611979,"913611 97 9",OPC-34712,OPC34712,"OPC 34712",7-(4-(4-(Benzo(b)thiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(1H)-one,7(4(4(Benzo(b)thiophen4yl)piperazin1yl)butoxy)quinolin2(1H)o
ne,"7 (4 (4 (Benzo(b)thiophen 4 yl)piperazin 1 yl)butoxy)quinolin 2(1H) one",UNII-2J3YBM1K8C,UNII2J3YBM1K8C,"UNII 2J3YBM1K8C",2J3YBM1K8C,7-(4-(4-(1-Benzothiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(
1H)-one,7(4(4(1Benzothiophen4yl)piperazin1yl)butoxy)quinolin2(1H)one,"7 (4 (4 (1 Benzothiophen 4 yl)piperazin 1 yl)butoxy)quinolin 2(1H) one",7-(4-(4-(1-benzothiophe,7(4(4(1benzothiophe,"7 (4 (4 (1 be
nzothiophe",T2306,Brexpiprazole}

> <pdid>

> <targets>
{5-HT1A,5-HT2A,¦Á1B-adrenergic receptor,¦Á2C receptors,D2L,5-HT Receptor,Dopamine Receptor}

> <classes>
{GPCR/G Protein,Neuroscience,Neuronal Signaling}

> <pubchem_cids>
{11978813}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 73 76  0  0  0  0            999 V2000
  -10.7377    1.1027    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    6.2500   -5.8600    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    3.4300    0.8000    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    0.8000    1.1200    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -8.4778    1.8763    0.0000 O   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    1.5337    5.1698    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    3.5827    8.5707    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    6.6527    6.0529    0.0000 O   0  0
    6.9056    4.5744    0.0000 C   0  0
    6.1416    9.0153    0.0000 O   0  0
    5.8843   10.4939    0.0000 C   0  0
    4.4758   11.0097    0.0000 O   0  0
    7.0356   11.4568    0.0000 C   0  0
    8.1867   12.4185    0.0000 C   0  0
    6.7783   12.9354    0.0000 C   0  0
    7.9290   13.8977    0.0000 O   0  0
    8.4448   10.9407    0.0000 C   0  0
    9.5964   11.9019    0.0000 O   0  0
    3.8662    2.2352    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    4.0182   -3.2790    0.0000 O   0  0
    3.1659   -2.0447    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  2  0
 39 41  1  0
 41  2  1  0
 41 42  1  0
 42  5  1  0
 41 43  1  0
 27 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 47  1  0
 51 53  1  0
 53 54  1  0
 50 55  1  0
 55 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  0
 58 60  1  0
 60 61  1  0
 58 62  1  0
 62 63  1  0
 23 64  1  0
 21 65  1  0
 20 66  1  0
 19 67  1  0
 67 68  1  0
 16 69  1  0
 14 70  1  0
  8 71  1  0
  7 72  1  0
 72 73  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12217

> <plate>
PLATE 016

> <well>
G7

> <supplier_cmpd_name>
Temsirolimus

> <ctcr_id>
4859

> <supplier_cmpd_id>
T2145

> <smiles>
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC

> <pd_targets>
{MTOR,ABCC2,ABCC3,ABCC4,ABCB11,FKBP1A}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Primary active transporter",Isomerase,"Protein Kinase","ATP-binding cassette","Atypical protein kinase group","ABCC subfamily","ABCB subfamily","Atypical protein kinase PIK
K family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Peptidyl-prolyl cis/trans isomerases",Atypical,"ABCC subfamily","ABCB subfamily","Phosphatidyl inositol 3' kinas
e-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,Metabolism,Hemostasis,"RNA Polymerase II Transcription","Disorders of transmembrane transporters","Metabolism of lipids","Platelet activation","signaling and
 aggregation","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","ABC transporter disorders","Metabolism of steroids","Response to eleva
ted platelet cytosolic Ca2+","Signaling by TGF-beta Receptor Complex in Cancer","Transcriptional Regulation by TP53","Defective ABCC2 causes DJS","Bile acid and bile salt metabolism","Platelet degranu
lation","Loss of Function of TGFBR1 in Cancer","Regulation of TP53 Activity","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","TGFBR1 LBD Mutants in Cancer","Regulation of 
TP53 Expression and Degradation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{Temsirolimus,162635-04-3,162635043,"162635 04 3",LSM-4295,LSM4295,"LSM 4295",FT-0674847,FT0674847,"FT 0674847",Q27165485,TEMSIROLIMUS}

> <pdid>
PD003551

> <targets>
{mTOR}

> <classes>
{}

> <pubchem_cids>
{148191}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 35  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0134   -5.9950    0.0000 F   0  0
   -5.1939   -3.0126    0.0000 C   0  0
   -6.4955   -2.2672    0.0000 N   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0  2  0  0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.4947    0.7442    0.0000 N   0  0
    8.9987   -0.7528    0.0000 C   0  0
    7.6987   -1.5028    0.0000 C   0  0
    6.3987   -0.7528    0.0000 C   0  0
    5.0994   -1.5024    0.0000 O   0  0
    6.3987    0.7472    0.0000 O   0  0
   10.2987   -1.5028    0.0000 C   0  0
   11.5980   -0.7532    0.0000 O   0  0
   10.2987   -3.0028    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  2  1  0
  8  9  2  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 12 18  1  0
 18 19  3  0
  6 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 24 26  1  6
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 27 32  1  0
 32 33  2  0
 32 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12218

> <plate>
PLATE 016

> <well>
G8

> <supplier_cmpd_name>
Trelagliptin succinate

> <ctcr_id>
11128

> <supplier_cmpd_id>
T2296

> <smiles>
Cn1c(=O)cc(n(c1=O)Cc1c(ccc(c1)F)C#N)N1CCC[C@H](C1)N.C(CC(=O)O)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"TRELAGLIPTIN SUCCINATE",1029877-94-8,1029877948,"Trelagliptin (succinate)","SYR 111472 succinate","SYR111472 SUCCINATE","SYR 472","1029877-94-8 (succinate)","1029877948 (succinate)",UNII-4118932Z90,
UNII4118932Z90,"SYR-472 succinate","SYR472 succinate",4118932Z90,"Trelagliptin succinate (USAN)",MFCD,T2296,"Trelagliptin succinate"}

> <pdid>

> <targets>
{DPP-4}

> <classes>
{Proteases/Proteasome}

> <pubchem_cids>
{44183569}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 37  0  0  1  0            999 V2000
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 N   0  0
    9.0964    0.7636    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2960    5.2539    0.0000 C   0  0
    2.5925    6.0085    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    1.2804    9.7540    0.0000 F   0  0
   -0.0108    7.4995    0.0000 C   0  0
   -1.3124    8.2450    0.0000 Cl  0  0
   -0.0056    5.9995    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0  1  0  0  0
   -1.4469   -5.2298    0.0000 C   0  0
   -2.9152   -5.5365    0.0000 C   0  0
   -3.6607   -4.2349    0.0000 O   0  0
   -2.6531   -3.1237    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 15  1  0
 13 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 12  1  0
 26 27  1  0
 27 28  2  0
 28 10  1  0
 28 29  1  0
 30 29  1  1
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12219

> <plate>
PLATE 016

> <well>
G9

> <supplier_cmpd_name>
Afatinib

> <ctcr_id>
1768

> <supplier_cmpd_id>
T2303

> <smiles>
CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]4CCOC4

> <pd_targets>
{PHKG1,PHKG2,MAPK14,MAP2K5,TXK,EPHA6,BLK,MAPK9,DYRK2,EPHB6,ABL1,EGFR,ERBB2,STK10,FLT3,MET,AXL,CSNK1E,ERBB3,MAPK10,HIPK4,ERBB4,SLK,RPS6KA6,STK17A,GAK,SBK1,FRK,HCK,CIT,DYRK1A,DYRK1B,SRC,LCK,MKNK2,MKNK1,
IRAK1,RIPK2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","CAMK protein kinase group","CMGC protein kinase group","STE protein kinase group","TK protein kinase group","CK1 protein kinase group","AGC prot
ein kinase group","Other protein kinase group","TKL protein kinase group","CAMK protein kinase PHk family","CMGC protein kinase MAPK family","STE protein kinase STE7 family","Tyrosine protein kinase T
ec family","Tyrosine protein kinase Eph family","Tyrosine protein kinase Src family","CMGC protein kinase DYRK family","Tyrosine protein kinase Abl family","Tyrosine protein kinase EGFR family","STE p
rotein kinase STE20 family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Axl family","CK1 protein kinase CK1 family","AGC protein kinase RSK fam
ily","CAMK protein kinase DAPK family","Other protein kinase NAK family","Other protein kinase NKF1 family","AGC protein kinase DMPK family","CAMK protein kinase MAPKAPK family","TKL protein kinase IR
AK family","TKL protein kinase RIPK family","CMGC protein kinase p38 subfamily","CMGC protein kinase JNK subfamily","CMGC protein kinase Dyrk2 subfamily","STE protein kinase SLK subfamily","CMGC prote
in kinase HIPK subfamily","AGC protein kinase RSK subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase Dyrk1 subfamily","CAMK protein kinase MNK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7",
"Sterile 11","Sterile 20 kinases","Receptor kinases","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","Phosphorylase kinase (PHK) family","Mitogen-activated protein kinases (MAP kinases
)","STE7 family","TK: Tyrosine kinase","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE20 family","Casein kinase 1 (CK1) family","RSK family","Death-associated kinas
e (DAPK) family","Other protein kinases","DMPK family","MAPK-Activated Protein Kinase (MAPKAPK) family","TKL: Tyrosine kinase-like","p38 subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor ty
rosine kinases (RTKs)","JNK subfamily","Dyrk2 subfamily","SLK subfamily","HIPK subfamily","RSK subfamily","Numb-associated kinase (NAK) family","NKF1 family","Other DMPK family kinases","Dyrk1 subfami
ly","MKN subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Receptor interacting protein kinase (RIPK) family","Tec family","Type XIII RTKs: Ephrin receptor family","Src family","Abl
 family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XI RTK
s: TAM (TYRO3-","AXL- and MER-TK) receptor family"}

> <pathway_reactome>
{Metabolism,"Immune System","Signal Transduction","Developmental Biology","Gene expression (Transcription)",Disease,"Cell Cycle","Neuronal System","Vesicle-mediated transport","Metabolism of carbohydr
ates","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Nervous system development","RNA Polymerase II Transcription","Infectious disease","Signaling by GPCR",Mitotic,"Intracellular sig
naling by second messengers","Transmission across Chemical Synapses","Membrane Trafficking","Signaling by Rho GTPases","Glycogen metabolism","Toll-like Receptor Cascades","Signaling by NTRKs","Fc epsi
lon receptor (FCERI) signaling","Axon guidance","Generic Transcription Pathway","Leishmania infection","GPCR downstream signalling","Neutrophil degranulation","Signaling by Insulin receptor","Signalin
g by VEGF","Mitotic G2-G2/M phases","PIP3 activates AKT signaling","Neurotransmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","HIV Infection","RHO GTPase E
ffectors","Mitotic G1 phase and G1/S transition","Signaling by FGFR","Glycogen breakdown (glycogenolysis)","Toll Like Receptor 5 (TLR5) Cascade","Signaling by NTRK1 (TRKA)","FCERI mediated Ca+2 mobili
zation","EPH-Ephrin signaling","Transcriptional regulation by RUNX1","Transcriptional Regulation by TP53","Parasite infection","G alpha (q) signalling events","Semaphorin interactions","Insulin recept
or signalling cascade","VEGFA-VEGFR2 Pathway","G2/M Transition","Negative regulation of the PI3K/AKT network","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesi
s","PTEN Regulation","Host Interactions of HIV factors","RHO GTPases activate CIT","G0 and Early G1","Signaling by FGFR4","MyD88 cascade initiated on plasma membrane","Signalling to ERK5","EPHA-mediat
ed growth cone collapse","RUNX1 regulates transcription of genes involved in BCR signaling","Regulation of TP53 Activity","EPHB-mediated forward signaling","Leishmania phagocytosis","Gastrin-CREB sign
alling pathway via PKC and MAPK","Sema4D in semaphorin signaling","IRS-mediated signalling","Centrosome maturation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Post NMDA receptor activation even
ts","Regulation of PTEN stability and activity","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","Negative regulation of FGFR4 signaling","MAP kinase activation","R
egulation of TP53 Activity through Phosphorylation","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","PI3K Cascade","Sema4D med
iated inhibition of cell attachment and migration","Loss of proteins required for interphase microtubule organization from the centrosome","CREB1 phosphorylation through NMDA receptor-mediated activat
ion of RAS signaling","Nef and signal transduction","Signalling to RAS","Long-term potentiation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Spry 
regulation of FGF signaling","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","RSK activation","p38MAPK events","Nef Mediated CD4 Down-regulation","activat
ed TAK1 mediates p38 MAPK activation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{EGFR,ERBB2,ERBB4}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{SCHEMBL185621,ANW-73780,ANW73780,ANW-74863,ANW74863,NCGC00185000-02,NCGC0018500002,NCGC00185000-03,NCGC0018500003,Q27166502,T2303,Afatinib,BIBW2992}

> <pdid>
PD003240

> <targets>
{EGFR(HER),HER2,EGFR}

> <classes>
{}

> <pubchem_cids>
{57519523}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 61 68  0  0  0  0            999 V2000
   -7.7568   -4.4434    0.0000 C   0  0
   -7.8049   -5.9426    0.0000 C   0  0
   -9.0926   -6.7120    0.0000 C   0  0
   -6.4995   -5.2037    0.0000 C   0  0
   -5.2069   -5.9647    0.0000 C   0  0
   -5.2196   -7.4647    0.0000 C   0  0
   -6.5250   -8.2036    0.0000 C   0  0
   -7.8177   -7.4425    0.0000 C   0  0
   -6.5378   -9.7042    0.0000 C   0  0
   -5.2464  -10.4674    0.0000 C   0  0
   -5.2616  -11.9674    0.0000 C   0  0
   -6.5681  -12.7042    0.0000 C   0  0
   -6.5833  -14.2041    0.0000 Cl  0  0
   -7.8595  -11.9411    0.0000 C   0  0
   -7.8444  -10.4412    0.0000 C   0  0
   -3.9247   -8.2235    0.0000 C   0  0
   -2.6197   -7.4823    0.0000 N   0  0
   -1.3244   -8.2389    0.0000 C   0  0
   -0.0216   -7.4954    0.0000 C   0  0
   -0.0140   -5.9954    0.0000 N   0  0
   -1.3093   -5.2389    0.0000 C   0  0
   -2.6121   -5.9823    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1954   -3.0153    0.0000 C   0  0
    5.2033   -1.5153    0.0000 O   0  0
    6.4915   -3.7721    0.0000 N   0  0
    7.7954   -3.0289    0.0000 S   0  0
    6.5004   -2.2719    0.0000 O   0  0
    7.8032   -1.5289    0.0000 O   0  0
    9.0914   -3.7857    0.0000 C   0  0
    9.0841   -5.2857    0.0000 C   0  0
   10.3794   -6.0420    0.0000 C   0  0
   11.6821   -5.2984    0.0000 C   0  0
   12.9766   -6.0579    0.0000 N   0  0
   12.9671   -7.5587    0.0000 C   0  0
   14.2616   -8.3181    0.0000 C   0  0
   14.2543   -9.8181    0.0000 C   0  0
   15.5496  -10.5745    0.0000 C   0  0
   16.8523   -9.8309    0.0000 O   0  0
   16.8597   -8.3310    0.0000 C   0  0
   15.5644   -7.5746    0.0000 C   0  0
   11.6895   -3.7984    0.0000 C   0  0
   10.3941   -3.0421    0.0000 C   0  0
   12.9914   -3.0517    0.0000 N   0  3
   12.9966   -1.5517    0.0000 O   0  0
   14.2880   -3.8058    0.0000 O   0  5
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  2  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
  6 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  2  0
 30 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 39  1  0
 36 45  1  0
 45 46  2  0
 46 33  1  0
 45 47  1  0
 47 48  2  0
 47 49  1  0
 26 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  2  0
 53 54  1  0
 54 55  2  0
 55 56  1  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 59 55  1  0
 59 60  2  0
 60 52  1  0
 50 61  2  0
 61 23  1  0
M  CHG  2  47   1  49  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12220

> <plate>
PLATE 016

> <well>
G10

> <supplier_cmpd_name>
ABT-199

> <ctcr_id>
2664

> <supplier_cmpd_id>
T2119

> <smiles>
CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3)c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c(c5)[N+](=O)[O-])c(Oc7cnc8[nH]ccc8c7)c4

> <pd_targets>
{BCL2,BCL2L1,BCL2L2,MCL1}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{"Immune System",Disease,"Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Nucleotide-binding domain","le
ucine rich repeat containing receptor (NLR) signaling pathways","FLT3 signaling in disease","Signaling by Interleukins",Inflammasomes,"Signaling by FLT3 ITD and TKD mutants","Interleukin-4 and Interle
ukin-13 signaling","The NLRP1 inflammasome","STAT5 activation downstream of FLT3 ITD mutants"}

> <broad_targets>
{BCL2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{HY-15531,HY15531,QC-11704,QC11704,Venetoclax,ABT-199,ABT199,1257044-40-8,1257044408,Venclexta,GDC-0199,GDC0199,"ABT 199",UNII-N54AIC43PW,UNIIN54AIC43PW,"GDC 0199",RG7601,"Venetoclax; Abt-199","Veneto
clax; Abt199","Venetoclax (ABT199)",RG-7601,N54AIC43PW,"ABT-199 (GDC-0199)","ABT199 (GDC0199)","Venetoclax (ABT-199)",venclyxto,BDBM189459,T2119,766270,16233,S8048}

> <pdid>
PD003393

> <targets>
{Bcl-2,Autophagy,Bcl-2 Family}

> <classes>
{Apoptosis,Autophagy}

> <pubchem_cids>
{49846579}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 35  0  0  0  0            999 V2000
    7.7854    3.0107    0.0000 C   0  0
    7.7912    1.5107    0.0000 C   0  0
    6.9269    1.0077    0.0000 C   0  0
    9.0933    0.7644    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4973    0.2591    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   10.4003   -1.4841    0.0000 B   0  0
   11.6994   -0.7342    0.0000 O   0  0
   12.9984   -1.4841    0.0000 C   0  0
   14.2974   -0.7341    0.0000 O   0  0
   12.9985   -2.9841    0.0000 C   0  0
   11.6994   -3.7342    0.0000 C   0  0
   12.9994   -4.4426    0.0000 C   0  0
   14.2994   -3.6927    0.0000 C   0  0
   15.5987   -4.4424    0.0000 O   0  0
   14.2996   -2.1927    0.0000 O   0  0
   10.4004   -2.9842    0.0000 O   0  0
   10.3993   -4.4430    0.0000 C   0  0
   10.3982   -5.9430    0.0000 O   0  0
    9.1006   -3.6924    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19 13  1  0
 19 20  1  0
  5 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 26 31  1  0
 31 21  1  0
 26 32  1  0
 32 33  2  0
 32 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12221

> <plate>
PLATE 016

> <well>
G11

> <supplier_cmpd_name>
Ixazomib Citrate

> <ctcr_id>
7194

> <supplier_cmpd_id>
T2016

> <smiles>
CC(C)CC(NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B2OC(=O)CC(CC(=O)O)(O2)C(=O)O

> <pd_targets>
{PSMB2,PSMB1,PSMB5,ADRM1,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB3,PSMB4,PSMB6,PSMB7,PSMB8,PSMB9,PSMC1,PSMC2,PSMC3,PSMC4,PSMC5,PSMC6,PSMD1,PSMD11,PSMD12,PSMD13,PSMD14,PSMD2,P
SMD3,PSMD4,PSMD6,PSMD7,PSMD8,SEM1}

> <pathway_gtopdb>
{Enzyme,Protease,"Threonine protease","Metallo protease","Threonine protease PBT clan","Metallo protease MP clan","Threonine protease T1A subfamily","Metallo protease M67 family","Metallo protease M67
A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PB: Threonine (T) Peptidases","T1: Proteasome"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Regulation of mitotic cell cycle","APC/C-mediated degradation of cell cycle proteins","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","APC/C:Cdc20
 mediated degradation of mitotic proteins","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin
 A"}

> <broad_targets>
{}

> <broad_moa>
{"proteasome inhibitor"}

> <synonyms>
{1201902-80-8,1201902808,MLN9708,MLN-9708,"MLN 9708",CHEMBL1813256,"1239908-20-3 (citrate)","1239908203 (citrate)","ixazomib citrate 1,3,2-dioxaborinane","ixazomib citrate 1,3,2dioxaborinane",133876-9
2-3,133876923,"Ixazomib Citrate (MLN9708)",cc-436,cc436,C20H23BCl2N2O9,SCHEMBL4415508,"MLN9708 (Ixazomib citrate))",DTXSID10152721,Ixazom,758254,S2181,"Ixazomib citrate"}

> <pdid>
PD010838

> <targets>
{Proteasome}

> <classes>
{}

> <pubchem_cids>
{49867936}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  1  0            999 V2000
    0.8666  -11.4271    0.0000 C   0  0
    2.3666  -11.4344    0.0000 C   0  0
    3.1242  -10.1388    0.0000 C   0  0
    4.6242  -10.1440    0.0000 C   0  0
    5.3787   -8.8476    0.0000 C   0  0
    4.6332   -7.5460    0.0000 C   0  0
    5.1017   -6.1218    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.6747   -6.1134    0.0000 C   0  0
    3.1332   -7.5408    0.0000 C   0  0
    2.3787   -8.8372    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 O   0  0
    0.0000    3.0000    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    3.8976   -0.7553    0.0000 O   0  0
    5.3728  -11.4449    0.0000 C   0  0
    6.8728  -11.4479    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
 10 11  2  0
 11  3  1  0
  8 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 15  1  0
 23 26  1  0
 14 27  1  1
  4 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12222

> <plate>
PLATE 016

> <well>
H2

> <supplier_cmpd_name>
Indacaterol

> <ctcr_id>
11129

> <supplier_cmpd_id>
T2320

> <smiles>
CCc1c(cc2CC(Cc2c1)NC[C@@H](c1c2ccc(=O)[nH]c2c(cc1)O)O)CC

> <pd_targets>
{ADRB1,ADRB2,DRD3}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor","Dopamine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors,"Dopamine receptors"}

> <pathway_reactome>
{Disease,"Signal Transduction","Infectious disease","Signaling by GPCR","Leishmania infection","GPCR ligand binding","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","A
nti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","ADORA2B mediated anti-inflammatory cytokines production","Dopamine receptors"}

> <broad_targets>
{ADRB1,ADRB2}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{Indacaterol,312753-06-3,312753063,QAB-149,QAB149,Arcapta,"QAB 149",Onbrez,UNII-8OR09251MQ,UNII8OR09251MQ,753498-25-8,753498258,CHEMBL1095777,CHEBI:68575,8OR09251MQ,"312753-06-3 (free base)","31275306
3 (free base)","Indacaterol (USAN/INN)","Indacaterol (USAN:INN:BAN)",1000160-87-1,1000160871,QABI49,SCHEMBL48098,c,T2320}

> <pdid>
PD009338

> <targets>
{¦Â-adrenoceptor,Adrenergic Receptor}

> <classes>
{GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{6918554}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    5.1972   -1.5121    0.0000 O   0  0
    6.4998   -0.7667    0.0000 C   0  0
    6.5050    0.7333    0.0000 N   0  0
    7.7965   -1.5208    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  6 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12223

> <plate>
PLATE 016

> <well>
H3

> <supplier_cmpd_name>
Felbamate

> <ctcr_id>
1328

> <supplier_cmpd_id>
T1946

> <smiles>
NC(=O)OCC(COC(N)=O)c1ccccc1

> <pd_targets>
{SMN1,CYP2D6,NPSR1,PKM,CHRM1,CYP1A2,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Membrane receptor","Ion channel",Reader,"Cytochrome P450","Family A G protein-coupled receptor","Ligand-gated ion channel","Methyl-lysine/arginine binding protein","Cyt
ochrome P450 family 2","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Ionotropic glutamate receptor","Tudor domain","Cytochrome P450 family 2D
","Short peptide receptor (family A GPCR)","Monoamine receptor","Cytochrome P450 family 1A","NMDA receptor","Cytochrome P450 2D6","Neuropeptide receptor","Acetylcholine receptor","Cytochrome P450 1A1"
}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Cytochrome P450","G protein-coupled receptors","2.7.1.40 Pyruvate kinases","Ligand-gated ion channels","CYP2 family: drug metabolising subset","Neuropeptide S recept
or","Acetylcholine receptors (muscarinic)","CYP1 family","Ionotropic glutamate receptors"}

> <pathway_reactome>
{"Metabolism of RNA",Metabolism,Disease,"Signal Transduction","Neuronal System","Metabolism of non-coding RNA","Biological oxidations","Infectious disease","Metabolism of carbohydrates","Signaling by 
GPCR","Transmission across Chemical Synapses","snRNP Assembly","Phase I - Functionalization of compounds","Leishmania infection","Glucose metabolism","GPCR ligand binding","Neurotransmitter receptors 
and postsynaptic signal transmission","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival",Glycolysis,"Class A/1 (Rhodopsin-like receptors)","Activation of NMDA rec
eptors and postsynaptic events",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Post NMDA receptor activation events","CYP2E1 reactio
ns","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CREB1 phosphorylation through NMD
A receptor-mediated activation of RAS signaling","Long-term potentiation","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B}

> <broad_moa>
{"glutamate receptor antagonist"}

> <synonyms>
{felbamate,25451-15-4,25451154,"25451 15 4",Felbatol,"2-Phenylpropane-1,3-diyl dicarbamate","2Phenylpropane1,3diyl dicarbamate","2 Phenylpropane 1,3 diyl dicarbamate","2-Phenyl-1,3-propanediol dicarba
mate","2Phenyl1,3propanediol dicarbamate","2 P",T1946,1505600,Felbamate,FELBAMATE}

> <pdid>
PD002715

> <targets>
{}

> <classes>
{antiepileptic,anticonvulsant}

> <pubchem_cids>
{3331}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 23  0  0  1  0            999 V2000
   12.9995   -1.4792    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   11.6963    0.7681    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0  2  0  0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4964    0.7591    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
    9.0933    0.7644    0.0000 B   0  0
    7.7919    1.5103    0.0000 O   0  0
   10.3897    1.5189    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19 13  1  0
 19 20  1  0
  5 21  1  0
 21 22  1  0
 21 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12224

> <plate>
PLATE 016

> <well>
H4

> <supplier_cmpd_name>
Ixazomib

> <ctcr_id>
7488

> <supplier_cmpd_id>
T2122

> <smiles>
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O

> <pd_targets>
{PSMB5,PSMB1,PSMB2,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB3,PSMB4,PSMB6,PSMB7,PSMB8,PSMB9,NFKB1,NFKB2,RELA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Protease,"Threonine protease","Threonine protease PBT clan","Threonine protease T1A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PB: Threonine (T) Peptidases","T1: Proteasome"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Regulation of mitotic cell cycle","APC/C-mediated degradation of cell cycle proteins","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","APC/C:Cdc20
 mediated degradation of mitotic proteins","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin
 A"}

> <broad_targets>
{}

> <broad_moa>
{"proteasome inhibitor"}

> <synonyms>
{BRD-K78659596-001-01-3,BRDK78659596001013,S-7673,S7673,J-001749,J001749,Ixazomib,1072833-77-2,1072833772,MLN2238,MLN-2238,"MLN 2238","(R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutylboronic a
cid","(R)1(2(2,5dichlorobenzamido)acetamido)3methylbutylboronic acid","(R)-(1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)boronic acid","(R)(1(2(2,5dichlorobenzamido)acetamido)3methylbutyl)boro
nic acid",UNII-71050168A2,UNII71050168A2,S2180}

> <pdid>
PD003323

> <targets>
{Proteasome}

> <classes>
{}

> <pubchem_cids>
{25183872}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2494    0.0000 O   0  0
   -2.6016   -2.9971    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2494    0.0000 O   0  0
   -2.6017    2.9971    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    3.8971    0.7500    0.0000 C   0  0
    3.8971   -0.7500    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  5 11  1  0
  3 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  2 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19  1  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12225

> <plate>
PLATE 016

> <well>
H5

> <supplier_cmpd_name>
Menadiol Diacetate

> <ctcr_id>
11130

> <supplier_cmpd_id>
T2570

> <smiles>
c12c(c(cc(c1OC(=O)C)C)OC(=O)C)cccc2

> <pd_targets>
{HTT}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by MECP2","Regulation of MECP2 expression and activity"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Acetomenaphthone,"Vitamin K4","Menadiol diacetate",573-20-6,573206,Kapilin,"2-Methylnaphthalene-1,4-diyl diacetate","2Methylnaphthalene1,4diyl diacetate",Adaprin,Kapilon,Kayvite,Pafavit,"Prokayvit or
al","Kativ powder","Vitamin K diacetate",Davitamon-K,DavitamonK,"Vitavel K",Davitamon-K-ora,DavitamonKora,T2570,"Menadiol Diacetate"}

> <pdid>
PD014411

> <targets>
{VK4,Apoptosis,Endogenous Metabolite}

> <classes>
{Metabolism,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{11310}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 33  0  0  0  0            999 V2000
    2.5608  -12.0027    0.0000 O   0  0
    2.5691  -10.5028    0.0000 C   0  0
    3.8725   -9.7587    0.0000 C   0  0
    3.8808   -8.2579    0.0000 N   0  0
    5.1824   -7.5124    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8978    3.7504    0.0000 C   0  0
    3.8987    5.2504    0.0000 F   0  0
    5.1966    3.0000    0.0000 F   0  0
    5.1972    4.4998    0.0000 F   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
   10.1978   -3.3762    0.0000 Cl  0  0
    7.6978   -3.3762    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 13 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 23 28  2  0
 28 12  1  0
  7 29  1  0
 29 30  1  0
 30  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12226

> <plate>
PLATE 016

> <well>
H6

> <supplier_cmpd_name>
Flupenthixol dihydrochloride

> <ctcr_id>
11131

> <supplier_cmpd_id>
T2564

> <smiles>
OCCN1CCN(CCC=C2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3)CC1.Cl.Cl

> <pd_targets>
{CYP3A4,SIGMAR1,CYP2D6,DRD2,KCNK2,HTR2C,DRD5,ADRA2C,HTR1A,SLC22A1,CYP1A2,DRD3,NFKB1,THPO,TP53,MAPK1,CYP2C19,CHRM1,TSHR,HTR2A,WDR48,GMNN,PMP22,KMT2A,MEN1,LMNA,NFO,HTT,USP1,RORC,ALD,MAPT,DRD1,DRD4,FFP,M
TOR,ADRA1A}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel",Transporter,"Other cytosolic protein","Unclassified protein","Transcription factor","Cytochrome P450","Family A G protein-coupled receptor","Voltage-gated ion
 channel","Electrochemical transporter",Kinase,"Cytochrome P450 family 3","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Potassium channels","SLC superfamily of solute carriers"
,"Cytochrome P450 family 1","Protein Kinase","Peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Monoamine receptor","Two-pore domain potassium channel","SLC22 
family of organic cation and anion transporters","Cytochrome P450 family 1A","CMGC protein kinase group","Cytochrome P450 family 2C","Glycohormone receptor","Cytochrome P450 3A4","Cytochrome P450 2D6"
,"Dopamine receptor","Serotonin receptor","Adrenergic receptor","Cytochrome P450 1A1","CMGC protein kinase MAPK family","Cytochrome P450 2C19","Acetylcholine receptor","CMGC protein kinase ERK1","Epig
enetic regulator","Other nuclear protein",Reader,Hydrolase,Protease,"Nuclear receptor",Transferase,Bromodomain,"Cysteine protease","Nuclear hormone receptor subfamily 1","Cysteine protease CA clan","N
uclear hormone receptor subfamily 1 group F","Atypical protein kinase group","Cysteine protease C19 family","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family
","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,"Ion channels",Transporters,"Cytochrome P450","Sigma receptors","G protein-coupled receptors","Voltage-gated ion channels","SLC superfamily of solute carrier
s","Kinases (EC 2.7.x.x)","CYP3 family","CYP2 family: drug metabolising subset","Dopamine receptors","Potassium channels","5-Hydroxytryptamine receptors",Adrenoceptors,"SLC22 family of organic cation 
and anion transporters","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors (muscarinic)","Glycoprotein hormone receptors","Two P domain potassium channels","Organic
 cation transporters (OCT)","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily","Nuclear hormone receptors","1F. Retinoic acid-related orphans",Atypical,"Phosphatidyl inositol 3' kinase-
related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Neuronal System","Transport of small molecules","Immune System",Hemostasis,"Cell Cycle","Metabolism of lipids","Infectious disease","Biological oxidations","
Signaling by GPCR","Potassium Channels","SLC-mediated transmembrane transport","Cytokine Signaling in Immune system","Platelet activation","signaling and aggregation","Cell Cycle Checkpoints","Innate 
Immune System","Biosynthesis of specialized proresolving mediators (SPMs)","SARS-CoV Infections","Phase I - Functionalization of compounds","GPCR ligand binding","Tandem pore domain potassium channels
","Leishmania infection","Transport of bile salts and organic acids","metal ions and amine compounds","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","G1/S DNA Damage Checkpoints",
"Toll-like Receptor Cascades","Biosynthesis of DHA-derived SPMs","Potential therapeutics for SARS","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","TWIK related p
otassium channel (TREK)","Leishmania parasite growth and survival","Organic cation/anion/zwitterion transport","Interleukin-1 family signaling","p53-Dependent G1/S DNA damage checkpoint","Toll Like Re
ceptor 5 (TLR5) Cascade","Biosynthesis of maresins",Xenobiotics,"Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Organic cation transport","Interl
eukin-1 signaling","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Dopamine receptors","Serotonin receptors"
,"ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors,"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Stabilization 
of p53","MAP kinase activation","Muscarinic acetylcholine receptors","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs a
re inactivated","Developmental Biology","Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"Nervous system development","RNA P
olymerase II Transcription","Transmission across Chemical Synapses","Signaling by PDGFR in disease","Mitotic G1 phase and G1/S transition","EGR2 and SOX10-mediated initiation of Schwann cell myelinati
on","M Phase","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by cytosolic PDGFRA and PDGFRB fusion proteins","G1/S Transition","Mitotic Me
taphase and Anaphase","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","Activatio
n of the pre-replicative complex","Mitotic Anaphase","Regulation of MECP2 expression and activity","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","Regulati
on of TP53 Activity","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Reg
ulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,CHRM1,DRD1,DRD2,DRD3,DRD5,HTR2A}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{"Flupenthixol dihydrochloride",2413-38-9,2413389,51529-01-2,51529012,"cis-(Z)-Flupentixol Dihydrochloride","cis(Z)Flupentixol Dihydrochloride","Fupentixol dihydrochloride",(E/Z)-Fupentixol,(E/Z)Fupen
tixol,DTXSID9058737,"(E/Z)-Fupentixol Dihydrochloride","(E/Z)Fupentixol Dihydrochloride",AOB3077,BCP09435,BCP12120,AKOS024457954,T2564}

> <pdid>
PD013866

> <targets>
{Dopamine}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{17011}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8926    3.7566    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5998    1.4987    0.0000 C   0  0  1  0  0  0
   -3.8976    0.7465    0.0000 O   0  0
   -2.6028    2.9995    0.0000 C   0  0
   -3.9036    3.7481    0.0000 N   0  0
   -3.9066    5.2489    0.0000 C   0  0  1  0  0  0
   -5.2073    5.9976    0.0000 C   0  0
   -5.2103    7.4984    0.0000 C   0  0
   -6.5093    8.2486    0.0000 C   0  0
   -6.5092    9.7486    0.0000 C   0  0
   -5.2101   10.4985    0.0000 C   0  0
   -5.2070   11.9993    0.0000 O   0  0
   -3.9068   12.7474    0.0000 C   0  0
   -3.9111    9.7485    0.0000 C   0  0
   -3.9112    8.2485    0.0000 C   0  0
   -2.6088    6.0011    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  2  0
 22 15  1  0
 13 23  1  1
  8 24  1  0
 24 25  2  0
 25  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12227

> <plate>
PLATE 016

> <well>
H7

> <supplier_cmpd_name>
Formoterol

> <ctcr_id>
11132

> <supplier_cmpd_id>
T2580

> <smiles>
Oc1c(NC=O)cc([C@@H](O)CN[C@@H](Cc2ccc(OC)cc2)C)cc1

> <pd_targets>
{ADRB2,ADRB1,ADRB3,DRD2,DRD3,TSHR,CYP2C19,LEF,CYP2D6,CYP3A4,MAPK1,CYP1A2,RAB9A,NFKB1,HIF1A,CHRM1,HSD17B10,LMNA}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other cytosolic protein","Transcription factor","Other nuclear protein","Family A G protein-coupled receptor","Cytochrome P450",Protease,Kinase,Hydrolase,Oxidoreductase,"S
mall molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Metallo protease","Cytochrome P450 family 3","Protein Kinase","Cytochrome P450 family 1","Monoami
ne receptor","Glycohormone receptor","Cytochrome P450 family 2C","Metallo protease MAE clan","Cytochrome P450 family 2D","Cytochrome P450 family 3A","CMGC protein kinase group","Cytochrome P450 family
 1A","Adrenergic receptor","Dopamine receptor","Cytochrome P450 2C19","Metallo protease M34 family","Cytochrome P450 2D6","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Cytochrome P450 1A1",
"Acetylcholine receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Kinases (EC 2.7.x.x)",Adrenoceptors,"Dopamine receptors","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","C
YP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","Acetylcholine receptors (muscarinic)","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Disease,"Signal Transduction",Metabolism,"Immune System","Cellular responses to external stimuli","Cell Cycle","Infectious disease","Signaling by GPCR","Biological oxidations","Metabolism of lipids",
"Innate Immune System","Signaling by Rho GTPases","Cytokine Signaling in Immune system","Cellular responses to stress","Metabolism of amino acids and derivatives",Mitotic,"Leishmania infection","GPCR 
ligand binding","Phase I - Functionalization of compounds","Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Rho GTPas
e cycle","Signaling by Interleukins","Cellular response to hypoxia","Branched-chain amino acid catabolism","M Phase","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","C
ytochrome P450 - arranged by substrate type","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","RHOBTB GTPase Cycle","Interleukin-1 famil
y signaling","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Mitotic Metaphase and Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Amine lig
and-binding receptors",Xenobiotics,"Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","RHOBTB3 ATPase cycle","Interleukin-1 signaling","Mitotic Anaphase","ADORA2B mediated anti-in
flammatory cytokines production","Dopamine receptors","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","MAP kinase activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2",
"MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic acetylcholine receptors","Nuclear Envelope (NE) Reassembly","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envel
ope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADRB2}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{Arformoterol,formoterol,"(R,R)-Formoterol","(R,R)Formoterol",67346-49-0,67346490,(-)-Formoterol,()Formoterol,73573-87-2,73573872,Foradil,UNII-F91H02EBWT,UNIIF91H02EBWT,Atimos,"Arformoterol (INN)",efo
rmoterol,Oxis,CHEMBL1363,F91H02EBWT,CHEBI:408174,"Formoterolum (INN-Latin)","Formoterolum (INNLatin)","FORMOTEROL FUMARATE",Formoterolu,T2580,Formoterol}

> <pdid>
PD009607

> <targets>
{"¦Â2-adrenergic receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{3083544}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 18  0  0  0  0            999 V2000
    5.7099   -3.9054    0.0000 N   0  0
    6.4621   -2.6077    0.0000 C   0  0
    7.9621   -2.6107    0.0000 N   0  0
    5.7135   -1.3069    0.0000 N   0  0
    4.2127   -1.3038    0.0000 C   0  0
    3.4641   -0.0030    0.0000 C   0  0
    1.9598    0.0000    0.0000 N   0  0
    1.3858    1.3858    0.0000 C   0  0
    0.0000    1.9598    0.0000 C   0  0
   -1.3858    1.3858    0.0000 C   0  0
   -1.9598    0.0000    0.0000 C   0  0
   -1.3858   -1.3858    0.0000 C   0  0
    0.0000   -1.9598    0.0000 C   0  0
    1.3858   -1.3858    0.0000 C   0  0
   11.7629    0.5269    0.0000 O   0  0
   11.7629   -0.9731    0.0000 S   0  0
   11.7629   -2.4731    0.0000 O   0  0
   10.4637   -1.7227    0.0000 O   0  0
   13.0622   -1.7227    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  7  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 16 19  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12228

> <plate>
PLATE 016

> <well>
H8

> <supplier_cmpd_name>
Guanethidine Monosulfate

> <ctcr_id>
2103

> <supplier_cmpd_id>
T2575

> <smiles>
NC(=N)NCCN1CCCCCCC1.O[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"guanethidine sulfate",645-43-2,645432,"Guanethidine monosulfate","Ismelin sulfate","Guanethidine (sulfate)",UNII-5UBY8Y002G,UNII5UBY8Y002G,"Guanethidine Sulphae","645-43-2 (sulfate)","645432 (sulfat
e)",5UBY8Y002G,"1-(2-(azocan-1-yl)ethyl)guanidine sulfate","1(2(azocan1yl)ethyl)guanidine sulfate",Guanidine,(2-,(2,T2575,1500323,"Guanethidine Monosulfate","GUANETHIDINE SULFATE"}

> <pdid>

> <targets>
{}

> <classes>
{"mitotic agent",antihypertensive}

> <pubchem_cids>
{86471,56927696}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 23  0  0  0  0            999 V2000
    1.7282   -3.5024    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    1.2948    3.7517    0.0000 N   0  0
    3.8926    3.7566    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    0.8621   -3.5023    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6071   -5.9984    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  6 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14  5  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 12 21  1  0
 21 22  1  0
 21 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12229

> <plate>
PLATE 016

> <well>
H9

> <supplier_cmpd_name>
Zanamivir

> <ctcr_id>
3999

> <supplier_cmpd_id>
T2529

> <smiles>
CC(=O)NC1C(NC(N)=N)C=C(OC1C(O)C(O)CO)C(O)=O

> <pd_targets>
{NA,NEU2,NEU4,NEU3}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Metabolism of proteins",Disease,"Post-translational protein modification","Infectious disease","Asparagine N-linked glycosylation","Influenza Infection","Biosynthesis of the N-glycan precursor (doli
chol lipid-linked oligosaccharide","LLO) and transfer to a nascent protein","Virus Assembly and Release","Synthesis of substrates in N-glycan biosythesis","Assembly of Viral Components at the Budding 
Site","Sialic acid metabolism","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus"}

> <broad_targets>
{NEU2}

> <broad_moa>
{"neuraminidase inhibitor"}

> <synonyms>
{CHEMBL157939,BDBM50040516,SCHEMBL3497032,AKOS025402167,AC-6009,AC6009,AK163166,FT-0657786,FT0657786,T2529,S3007,Zanamivir}

> <pdid>
PD009965

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{74686015,5721}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    3.1595   -2.6661    0.0000 O   0  0
    2.7117   -1.2364    0.0000 C   0  0  2  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7272    1.1906    0.0000 C   0  0
    3.6011   -0.0285    0.0000 C   0  0
    1.4428   -2.2431    0.0000 C   0  0
    4.6239   -2.9947    0.0000 C   0  0
    5.6398   -1.8911    0.0000 O   0  0
    5.0724   -4.4269    0.0000 C   0  0
    6.5368   -4.7555    0.0000 C   0  0
    6.9854   -6.1878    0.0000 C   0  0
    8.4498   -6.5164    0.0000 C   0  0
    8.8983   -7.9486    0.0000 C   0  0
   10.3627   -8.2772    0.0000 C   0  0
   10.8112   -9.7095    0.0000 C   0  0
   12.2756  -10.0381    0.0000 C   0  0
   12.7239  -11.4695    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
  7 13  1  1
  8 14  1  0
 14 15  1  0
  5 15  1  1
  6 16  1  6
 16 17  1  0
 17  3  1  0
  4 18  1  6
 18 19  1  0
 19  2  1  0
  3 20  1  6
  1 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12230

> <plate>
PLATE 016

> <well>
H10

> <supplier_cmpd_name>
Nandrolone decanoate

> <ctcr_id>
11133

> <supplier_cmpd_id>
T2556

> <smiles>
O([C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@H]4C(=CC(=O)CC4)CC3)CC2)CC1)C)C(=O)CCCCCCCCC

> <pd_targets>
{LMNA,MAPT,FTL,AR}

> <pathway_gtopdb>
{"Other nuclear protein","Other cytosolic protein","Unclassified protein","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C
","Nuclear hormone receptor subfamily 3 group C member 4"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System","Vesicle-mediated transport","Gene expression (Transcription)",Mitotic,"Transmission across Chemical Synapses","Membrane Trafficking","RNA Polymerase II Transcription",
"M Phase","Neurotransmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","Activation of NMDA r
eceptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX2","Mitotic Anaphase","Post NMDA receptor activation events","RUNX2 regulates bone developmen
t","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","RUNX2 regulates osteoblast differentiation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"NANDROLONE DECANOATE",360-70-3,360703,Retabolil,"19-Nortestosterone decanoate","19Nortestosterone decanoate","Norandrostenolone decanoate",Deca-Hybolin,DecaHybolin,"Nortestosterone decanoate","Hybol
in decanoate",UNII-H45187T098,UNIIH45187T098,"Estr-4-en-3-one, 17-((1-oxodecyl)oxy)-, (17b)-","Estr4en3one, 17((1oxodecyl)oxy), (17b)",CHE,T2556,"Nandrolone decanoate"}

> <pdid>
PD009204

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{9677}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  1  0            999 V2000
  -12.4419   -1.1564    0.0000 S   0  0
  -13.7406   -0.4040    0.0000 C   0  0
  -15.0419   -1.1517    0.0000 C   0  0  2  0  0  0
  -15.0446   -2.6517    0.0000 N   0  0
  -16.3405   -0.3993    0.0000 C   0  0
  -17.6412   -1.1465    0.0000 O   0  0
  -16.3378    1.1007    0.0000 O   0  0
  -11.1406   -0.4088    0.0000 C   0  0
   -9.8420   -1.1611    0.0000 C   0  0
   -8.5406   -0.4135    0.0000 C   0  0
   -7.2420   -1.1658    0.0000 C   0  0
   -5.9406   -0.4182    0.0000 C   0  0
   -4.6420   -1.1706    0.0000 C   0  0
   -4.6433   -2.6714    0.0000 N   0  0
   -3.3447   -3.4237    0.0000 C   0  0
   -2.0448   -2.6753    0.0000 O   0  0
   -3.3459   -4.9138    0.0000 C   0  0  2  0  0  0
   -2.5998   -6.2151    0.0000 C   0  0
   -4.0998   -6.2106    0.0000 C   0  0
   -1.2899   -5.4844    0.0000 C   0  0
   -2.5863   -7.7150    0.0000 C   0  0
   -3.3398   -0.4244    0.0000 C   0  0
   -2.0427   -1.1777    0.0000 O   0  0
   -3.3354    1.0756    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  2  0
  5  7  1  0
  1  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 17 15  1  6
 17 18  1  0
 18 19  1  0
 19 17  1  0
 18 20  1  0
 18 21  1  0
 13 22  1  0
 22 23  2  0
 22 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12231

> <plate>
PLATE 016

> <well>
H11

> <supplier_cmpd_name>
Cilastatin

> <ctcr_id>
11134

> <supplier_cmpd_id>
T2583

> <smiles>
S(C[C@H](N)C(=O)O)CCCC/C=C(\NC(=O)[C@@H]1C(C1)(C)C)/C(=O)O

> <pd_targets>
{DPEP1,FFP,TGR}

> <pathway_gtopdb>
{Enzyme,Protease,Transferase,"Metallo protease","Metallo protease MJ clan","Metallo protease M19 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","MJ: Metallo (M) Peptidases","M19: Membrane dipeptidase"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","LTC4-CYSLTR mediated IL4 production
"}

> <broad_targets>
{DPEP1}

> <broad_moa>
{"dehydropeptidase inhibitor"}

> <synonyms>
{Cilastatin,82009-34-5,82009345,Cilastatinum,Cilastatina,Cilastatine,UNII-141A6AMN38,UNII141A6AMN38,CHEBI:3697,"Cilastatin acid",141A6AMN38,"MK 0791","82009-34-5 (free acid)","82009345 (free acid)","C
ilastatine (French)","Cilastatinum (Latin)","Cilastatina (Spanish)","Cilastatin (INN:BAN)",C,T2583}

> <pdid>
PD009460

> <targets>
{"Dipeptidase 1"}

> <classes>
{Proteases/Proteasome,Ubiquitination}

> <pubchem_cids>
{6435415}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
   -4.5994    1.4036    0.0000 C   0  0
   -4.3061   -0.0674    0.0000 C   0  0
   -2.8850   -0.5501    0.0000 N   0  0
   -2.5915   -2.0220    0.0000 C   0  0
   -3.7192   -3.0111    0.0000 O   0  0
   -1.1704   -2.5046    0.0000 C   0  0
   -0.8770   -3.9765    0.0000 C   0  0
    0.5441   -4.4592    0.0000 C   0  0
    0.8376   -5.9310    0.0000 C   0  0
    2.2587   -6.4137    0.0000 C   0  0
    2.5521   -7.8856    0.0000 C   0  0
    3.9707   -8.3673    0.0000 C   0  0
    4.4293   -9.7955    0.0000 C   0  0
    3.5434  -11.0060    0.0000 O   0  0
    5.9293   -9.8007    0.0000 C   0  0
    6.3978   -8.3758    0.0000 C   0  0
    7.8232   -7.9087    0.0000 O   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 12  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12232

> <plate>
PLATE 017

> <well>
A2

> <supplier_cmpd_name>
Bimatoprost

> <ctcr_id>
2674

> <supplier_cmpd_id>
T2538

> <smiles>
CCNC(=O)CCCC=CCC1C(O)CC(O)C1C=CC(O)CCc2ccccc2

> <pd_targets>
{PTGFR,AKR1C3,ABCB11,PTGER1,PTGER3}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,Transporter,"Family A G protein-coupled receptor","Primary active transporter","Small molecule receptor (family A GPCR)","ATP-binding cassette","Lipid-like ligand receptor 
(family A GPCR)","ABCB subfamily","Prostanoid receptor"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Eicosanoid turnover","ATP-binding cassette transporter family","Prostanoid receptors","Prostaglandin synthases","ABCB subfamily"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by GPCR","Metabolism of lipids","GPCR ligand binding","Metabolism of steroids","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism",
"Eicosanoid ligand-binding receptors","Synthesis of bile acids and bile salts","Prostanoid ligand receptors","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Synthesis of bile acids
 and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{AKR1C3,PTGER1,PTGER3,PTGFR}

> <broad_moa>
{"prostanoid receptor agonist"}

> <synonyms>
{155206-00-1,155206001,"15(R)-17-phenyl trinor Prostaglandin F2alpha ethyl amide","15(R)17phenyl trinor Prostaglandin F2alpha ethyl amide",1163135-92-9,1163135929,"15-epi Bimatoprost","15epi Bimatopro
st","5-Trans Bimatoprost","5Trans Bimatoprost",HMS3654B06,AK173142,FT-0650396,FT0650396,FT-0663117,FT0663117,FT-0663118,FT0663118,A809623,S1407,Bimatoprost}

> <pdid>
PD009654

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{53393954}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 33  0  0  0  0            999 V2000
    6.9144   -6.1912    0.0000 C   0  0
    6.3037   -4.8211    0.0000 N   0  0
    4.8111   -4.6641    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2537    0.5858    0.0000 S   0  0
    5.6776    1.0576    0.0000 O   0  0
    5.3744   -0.4112    0.0000 O   0  0
    3.1329    1.5839    0.0000 C   0  0
    1.7088    1.1126    0.0000 C   0  0
    0.5886    2.1101    0.0000 C   0  0
    0.8924    3.5790    0.0000 C   0  0
    2.3165    4.0504    0.0000 N   0  0
    3.4367    3.0528    0.0000 C   0  0
   10.7148    0.8042    0.0000 O   0  0
   10.7148   -0.6958    0.0000 C   0  0
    9.4155   -1.4453    0.0000 O   0  0
   12.0148   -1.4458    0.0000 C   0  0
   13.3148   -0.6958    0.0000 C   0  0
   14.6147   -1.4458    0.0000 C   0  0
   15.9140   -0.6962    0.0000 O   0  0
   14.6147   -2.9458    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
  6 14  1  0
 14 15  1  0
 15  4  2  0
 14 16  1  0
 16 17  2  0
 16 18  2  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12233

> <plate>
PLATE 017

> <well>
A3

> <supplier_cmpd_name>
Vonoprazan fumarate

> <ctcr_id>
7357

> <supplier_cmpd_id>
T2404

> <smiles>
CNCc1cc(c2ccccc2F)n(c1)S(=O)(=O)c3cccnc3.OC(=O)\C=C\C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AK43,"Vonoprazan Fumarate",TAK-438,TAK438,1260141-27-2,1260141272,881681-01-2,881681012,"Vonoprazan fumurate","TAK 438","Vonoprazan Fumarate (TAK-438)","Vonoprazan Fumarate (TAK438)",UNII-4QW3X4AMLB,
UNII4QW3X4AMLB,"TAK-438 monofumarate","TAK438 monofumarate","1260141-27-2 (fumarate)","1260141272 (fumarate)",4QW3X4AMLB,MFCD18633280,"Vonoprazan monofumurate",Takec,S8016}

> <pdid>

> <targets>
{"Potassium Channel"}

> <classes>
{}

> <pubchem_cids>
{45375887}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  9  0  0  1  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0  1  0  0  0
    2.6000   -1.5000    0.0000 S   0  0
    3.9000    0.7500    0.0000 C   0  0  1  0  0  0
    3.9000    2.2500    0.0000 S   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.4992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  0
  8 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12234

> <plate>
PLATE 017

> <well>
A4

> <supplier_cmpd_name>
Succimer

> <ctcr_id>
5463

> <supplier_cmpd_id>
T2552

> <smiles>
OC(=O)[C@@H](S)[C@@H](S)C(O)=O

> <pd_targets>
{REP,DUSP3,PTPN22,PTPN5,PTPN11}

> <pathway_gtopdb>
{Enzyme,Transferase,Phosphatase,"Protein Phosphatase","Serine/threonine/tyrosine protein phosphatase","Tyrosine protein phosphatase"}

> <pathway_chembl>
{"Other protein targets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins",Enzymes,Phosphatases,"Protein tyrosine phosphatases non-receptor type (PTPN)"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-2 Infection","SARS-CoV-2 Genome Replication and Transcription","Replication of the SARS-CoV-2 genome","Immune System","Innate Immune Syste
m","Adaptive Immune System","Cytokine Signaling in Immune system","Toll-like Receptor Cascades","TCR signaling","Signaling by Interleukins","Toll Like Receptor 5 (TLR5) Cascade","Phosphorylation of CD
3 and TCR zeta chains","Interleukin-1 family signaling","Toll Like Receptor 4 (TLR4) Cascade","MyD88 cascade initiated on plasma membrane","Interleukin-37 signaling","MyD88-independent TLR4 cascade","
MAP kinase activation","TRIF(TICAM1)-mediated TLR4 signaling","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","ERK/MAPK targets","ERKs are
 inactivated"}

> <broad_targets>
{DNMT1}

> <broad_moa>
{"chelating agent"}

> <synonyms>
{"3DIMERCAPTOSUCCINIC ACI",Succimer,"meso-2,3-Dimercaptosuccinic acid","meso2,3Dimercaptosuccinic acid",304-55-2,304552,DMSA,"meso-Dimercaptosuccinic acid","mesoDimercaptosuccinic acid",Dim-sa,Dimsa,"
(2R,3S)-rel-2,3-Dimercaptosuccinic acid","(2R,3S)rel2,3Dimercaptosuccinic acid",Succimero,Succimerum,"Dimercaptosuccinic acid",Chemet,"Butanedioic acid",2,3-dimercapto-,3dimercapto,T2552,1505007,"2,3-
DIMERCAPTOSUCCINIC ACID"}

> <pdid>
PD000656

> <targets>
{}

> <classes>
{antihypertensive,"chelating agent"}

> <pubchem_cids>
{2724354}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  1  0            999 V2000
    2.2703   -4.0022    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0  2  0  0  0
    3.8971    3.7500    0.0000 F   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -0.6870   -2.7320    0.0000 O   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.2584   -6.9323    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15  9  1  0
 15 16  1  6
 15 17  1  0
 17  5  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  6
 19 21  1  0
 21 22  1  0
 22  4  1  0
 22 23  1  6
 22 24  1  0
 24  2  1  0
 24 25  1  1
 24 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12235

> <plate>
PLATE 017

> <well>
A5

> <supplier_cmpd_name>
Diflorasone

> <ctcr_id>
4228

> <supplier_cmpd_id>
T2548

> <smiles>
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

> <pd_targets>
{NR3C1,HIF1A,RORC,ABCB11,RAB9A,MAPT}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1",Transporter,Enz
yme,"Other cytosolic protein","Primary active transporter",Hydrolase,"Nuclear hormone receptor subfamily 1","ATP-binding cassette","Nuclear hormone receptor subfamily 1 group F","ABCB subfamily","Nucl
ear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors",Transporters,"ATP-binding cassette transporter family","1F. Retinoic acid-related orphans","ABCB subfam
ily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","FOXO-mediated transcription of oxidative stress","metabolic and neur
onal genes","Cellular responses to external stimuli",Metabolism,"Signal Transduction","Neuronal System","Cellular responses to stress","Metabolism of lipids","Signaling by Rho GTPases","Transmission a
cross Chemical Synapses","Cellular response to hypoxia","Metabolism of steroids","Rho GTPase cycle","Neurotransmitter receptors and postsynaptic signal transmission","Oxygen-dependent proline hydroxyl
ation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","RHOBTB GTPase Cycle","Activation of NMDA receptors and postsynaptic events","RUNX3 
Regulates Immune Response and Cell Migration","Synthesis of bile acids and bile salts","RHOBTB3 ATPase cycle","Post NMDA receptor activation events","Synthesis of bile acids and bile salts via 7alpha-
hydroxycholesterol","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{NR3C1,PLA2G1B}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{RESTW73,flumethasone,Flumetasone,2135-17-3,2135173,Aniprime,Flucorticin,Flumethason,Anaprime,Methagon,Fluvet,Cortexilar,Flumetasona,Flumetasonum,"RS 2177",6alpha-Fluorodexamethasone,6alphaFluorodexam
ethasone,RS-2177,RS2177,UNII-LR3CD8SX89,UNIILR3CD8SX89,LR3CD8SX89,MLS000028618,CHEBI:34764,6alpha,9alpha-Dif,9alphaDif,T2548,T1124,Prestw-734,Diflorasone,Flumethasone}

> <pdid>
PD001457

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16490}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  1  0            999 V2000
    0.1423    1.5763    0.0000 C   0  0
    0.0479    0.0793    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    2.8524   -0.2919    0.0000 O   0  0
    3.4192   -2.8384    0.0000 C   0  0
    4.4371   -3.9401    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  7  5  1  1
  7  8  1  0
  8  9  1  6
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 17 16  1  6
 17  7  1  0
 17 11  1  0
  8 18  1  0
 18  3  1  0
 18 19  1  1
 19 20  1  0
 20 21  1  0
 21  3  1  0
 21 22  1  1
 21 23  1  0
 23 24  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12236

> <plate>
PLATE 017

> <well>
A6

> <supplier_cmpd_name>
Etonogestrel

> <ctcr_id>
8216

> <supplier_cmpd_id>
T2567

> <smiles>
CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C

> <pd_targets>
{SHBG,PGR}

> <pathway_gtopdb>
{"Secreted protein","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member
 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of intracellular receptors"}

> <broad_targets>
{ESR1,PGR}

> <broad_moa>
{"progesterone receptor agonist"}

> <synonyms>
{ETONOGESTREL,Implanon,54048-10-1,54048101,3-Oxodesogestrel,3Oxodesogestrel,nexplanon,3-Ketodesogestrel,3Ketodesogestrel,3-Keto-desogestrel,Org-3236,Org3236,UNII-304GTH6RNH,UNII304GTH6RNH,"ORG 3236",3
04GTH6RNH,CHEBI:50777,"18,19-Dinorpregn-4-en-20-yn-3-one,13-ethyl-17-hydroxy-11-methylene-, (17a)-","18,19Dinorpregn4en20yn3one,13ethyl17hydroxy11methylene, (17a)",etonogestrelum,T2567,S4673,Etonogest
rel}

> <pdid>
PD010119

> <targets>
{"Estrogen/progestogen Receptor"}

> <classes>
{Endocrinology&Hormones}

> <pubchem_cids>
{6917715}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 71 75  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0
   -1.2989    0.7502    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.3000   -2.2500    0.0000 C   0  0  2  0  0  0
    1.3000   -3.7500    0.0000 C   0  0
    0.0011   -4.5002    0.0000 O   0  0
    2.6000   -4.5000    0.0000 N   0  0
    3.9000   -3.7500    0.0000 C   0  0  2  0  0  0
    5.2000   -4.5000    0.0000 C   0  0
    5.2000   -6.0000    0.0000 O   0  0
    6.5000   -3.7500    0.0000 N   0  0
    6.5000   -2.2500    0.0000 C   0  0  2  0  0  0
    5.5377   -1.0983    0.0000 C   0  0
    6.0541    0.3100    0.0000 O   0  0
    4.0589   -1.3549    0.0000 N   0  0
    3.0966   -0.2032    0.0000 C   0  0  1  0  0  0
    1.7948   -0.9501    0.0000 C   0  0  1  0  0  0
    1.7913   -2.4501    0.0000 C   0  0
    0.4974   -0.1974    0.0000 O   0  0
    3.0971    1.2976    0.0000 C   0  0
    1.7988    2.0488    0.0000 O   0  0
    7.8000   -1.5000    0.0000 C   0  0
    7.8000    0.0000    0.0000 S   0  0
    6.5000    0.7500    0.0000 S   0  0
    6.5000    2.2500    0.0000 C   0  0
    5.2000    3.0000    0.0000 C   0  0  1  0  0  0
    5.2000    4.5000    0.0000 C   0  0
    6.4989    5.2502    0.0000 O   0  0
    3.9000    5.2500    0.0000 N   0  0
    2.6000    4.5000    0.0000 C   0  0  1  0  0  0
    1.3018    5.2531    0.0000 C   0  0
    1.3039    6.7539    0.0000 C   0  0
    0.0075    7.5085    0.0000 C   0  0
    0.0127    9.0085    0.0000 C   0  0
    1.3144    9.7540    0.0000 C   0  0
    2.6108    8.9995    0.0000 C   0  0
    2.6056    7.4995    0.0000 C   0  0
    2.6000    3.0000    0.0000 C   0  0
    3.8989    2.2498    0.0000 O   0  0
    1.3000    2.2500    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0  2  0  0  0
    2.2671   -0.3977    0.0000 C   0  0
    3.7447   -0.1350    0.0000 C   0  0
    4.3763    1.2115    0.0000 C   0  0
    5.8624    1.0076    0.0000 N   0  0
    6.1274   -0.4680    0.0000 C   0  0
    4.8053   -1.1766    0.0000 C   0  0
    4.7579   -2.6758    0.0000 C   0  0
    6.0326   -3.4665    0.0000 C   0  0
    7.3547   -2.7579    0.0000 C   0  0
    7.4021   -1.2586    0.0000 C   0  0
    3.7225    2.7363    0.0000 N   0  0
    2.7547    3.8834    0.0000 C   0  0
    3.2644    5.2942    0.0000 O   0  0
    1.2772    3.6197    0.0000 C   0  0  1  0  0  0
    0.3094    4.7668    0.0000 C   0  0
   -1.1681    4.5032    0.0000 C   0  0
   -2.1371    5.6482    0.0000 C   0  0
   -3.6132    5.3817    0.0000 C   0  0
   -4.1204    3.9701    0.0000 C   0  0
   -3.1515    2.8250    0.0000 C   0  0
   -1.6754    3.0915    0.0000 C   0  0
    0.7676    2.2090    0.0000 N   0  0
    3.9020   -2.2492    0.0000 C   0  0  1  0  0  0
    5.2023   -1.5013    0.0000 C   0  0
    2.6045   -1.4966    0.0000 O   0  0
    2.5982   -1.4969    0.0000 C   0  0
    2.6023   -2.9977    0.0000 C   0  0
    1.1251   -3.2633    0.0000 C   0  0
    0.1558   -2.1174    0.0000 C   0  0
   -1.3205   -2.3828    0.0000 N   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  6
 13 14  2  0
 13 15  1  0
 16 15  1  1
 16 17  1  0
 17 18  1  1
 17 19  1  0
 16 20  1  0
 20 21  1  0
 12 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  6
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
 30 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 41  1  1  0
 41 42  1  6
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  1  0
 46 47  2  0
 47 43  1  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 50 51  2  0
 51 46  1  0
 26 52  1  6
 52 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 59 60  2  0
 60 61  1  0
 61 62  2  0
 62 57  1  0
 55 63  1  6
  8 64  1  0
 64 65  1  6
 64 66  1  0
  4 67  1  1
 67 68  1  0
 68 69  1  0
 69 70  1  0
 70 71  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12237

> <plate>
PLATE 017

> <well>
A7

> <supplier_cmpd_name>
Octreotide

> <ctcr_id>
11135

> <supplier_cmpd_id>
T2584

> <smiles>
C1(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@@H](C)O)CO)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](Cc1ccccc1)N)[C@@H](C)O)CCCCN

> <pd_targets>
{SSTR2,SSTR4,SSTR5,ABCB11,SSTR1,SSTR3}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Family A G protein-coupled receptor","Primary active transporter","Peptide receptor (family A GPCR)","ATP-binding cassette","Short peptide receptor (family A GPCR)","
ABCB subfamily","Somatostatin receptor"}

> <pathway_chembl>
{Receptors,Transporters,"G protein-coupled receptors","ATP-binding cassette transporter family","Somatostatin receptors","ABCB subfamily"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by GPCR","Metabolism of lipids","GPCR ligand binding","Metabolism of steroids","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism",
"Peptide ligand-binding receptors","Synthesis of bile acids and bile salts","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{SSTR2,SSTR3,SSTR5}

> <broad_moa>
{"somatostatin receptor agonist"}

> <synonyms>
{Octreotide,Sandostatin,83150-76-9,83150769,"SMS 201-995","SMS 201995",UNII-RWM8CCW8GP,UNIIRWM8CCW8GP,79517-01-4,79517014,RWM8CCW8GP,SMS-201-995,SMS201995,CHEMBL1680,"83150-76-9 (free base)","83150769
 (free base)",MFCD00871400,"Octreotidum (Latin)","Octreotida (Spanish)",Octrotide,Longastatin,Octreotida,Octreotidum,DRG-011,DRG011,T2584}

> <pdid>
PD014663

> <targets>
{"Somatostatin Receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{448601}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
    7.7938   -3.0152    0.0000 C   0  0
    6.4915   -3.7597    0.0000 N   0  0
    6.4856   -5.2597    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.8141    2.0807    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.3947    1.7665    0.0000 C   0  0
   -1.7758    3.1329    0.0000 C   0  0
   -0.2851    2.9666    0.0000 C   0  0
    1.1612    2.6174    0.0000 O   0  0
    2.2130    3.6880    0.0000 C   0  0
    1.8114    5.1333    0.0000 C   0  0
    3.6655    3.3136    0.0000 O   0  0
   -0.7499    4.3804    0.0000 C   0  0
   -2.2135    4.7091    0.0000 C   0  0
    0.2662    5.4838    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 C   0  0
    0.0000   -7.5000    0.0000 O   0  0
    1.2991   -5.2500    0.0000 C   0  0
    1.2991   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 17 22  1  0
 22 23  1  0
 22 24  2  0
 14 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 28  1  0
 34 35  2  3
 35 10  1  0
 35 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12238

> <plate>
PLATE 017

> <well>
A8

> <supplier_cmpd_name>
Ulipristal acetate

> <ctcr_id>
4972

> <supplier_cmpd_id>
T2527

> <smiles>
CN(C)c1ccc(cc1)C2CC3(C)C(CCC3(OC(C)=O)C(C)=O)C4CCC5=CC(=O)CCC5=C24

> <pd_targets>
{PGR,NR3C1}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormon
e receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Post-translational protein modification","RNA Polymerase II Transcription",SUMOylation,"Generic Transcription Pathway","SUMO E3 ligases SUM
Oylate target proteins","FOXO-mediated transcription","SUMOylation of intracellular receptors","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes"}

> <broad_targets>
{PGR}

> <broad_moa>
{"progesterone receptor antagonist"}

> <synonyms>
{MFCD00899035,"Ulipristal-d6 Acetate","Ulipristald6 Acetate",SCHEMBL21419209,1621894-64-1,1621894641,BCP04591,STL451076,SY028095,FT-0675731,FT0675731,"17-acetyl-11-(4-(dimethylamino)phenyl)-3-oxoestra
-4,9-dien-17-yl acetate","17acetyl11(4(dimethylamino)phenyl)3oxoestra4,9dien17yl acetate",T2527,S3081,"Ulipristal acetate",Ulipristal}

> <pdid>
PD008619

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{13559282}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3039   -3.7494    0.0000 C   0  0
    2.6005   -2.9949    0.0000 N   0  0
    3.9021   -3.7404    0.0000 C   0  0
    5.2008   -2.9882    0.0000 N   0  0
    6.5021   -3.7360    0.0000 C   0  0
    7.8012   -2.9860    0.0000 C   0  0
    9.1002   -3.7360    0.0000 C   0  0
    9.1002   -5.2360    0.0000 C   0  0
    7.8012   -5.9860    0.0000 C   0  0
    6.5021   -5.2360    0.0000 C   0  0
   10.4000   -5.9865    0.0000 C   0  0
   11.6990   -6.7365    0.0000 N   0  0
    3.9073   -5.2404    0.0000 N   0  0
    2.6108   -5.9949    0.0000 C   0  0
    2.6160   -7.4949    0.0000 N   0  0
    1.3092   -5.2494    0.0000 C   0  0
    0.0128   -6.0039    0.0000 Br  0  0
    0.0000    3.0008    0.0000 C   0  0
    0.0000    4.5008    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  3  0
 12 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 10  1  0
 25 26  1  0
  4 27  1  0
 27 28  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12239

> <plate>
PLATE 017

> <well>
A9

> <supplier_cmpd_name>
Etravirine

> <ctcr_id>
4263

> <supplier_cmpd_id>
T2551

> <smiles>
Cc1cc(cc(C)c1Oc2nc(Nc3ccc(cc3)C#N)nc(N)c2Br)C#N

> <pd_targets>
{"REVERSE TRANSCRIPTASE",ABCB1,ABCG2,ABCC3,GAG-POL,ABCC2,ABCC1,KCNH2,POL}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,Transporter,"Ion channel","Primary active transporter",Protease,"Voltage-gated ion channel",Hydrolase,"ATP-binding cassette","Cysteine protease","Potassium channels","AB
CB subfamily","ABCG subfamily","ABCC subfamily","Cysteine protease CA clan","Voltage-gated potassium channel","Cysteine protease C1A family"}

> <pathway_chembl>
{Transporters,"Ion channels","ATP-binding cassette transporter family","Voltage-gated ion channels","ABCB subfamily","ABCG subfamily","ABCC subfamily","Potassium channels","Voltage-gated potassium cha
nnels"}

> <pathway_reactome>
{Metabolism,Disease,"Muscle contraction","Abacavir transport and metabolism","Metabolism of lipids","Disorders of transmembrane transporters","Cardiac conduction","Abacavir transmembrane transport","M
etabolism of steroids","ABC transporter disorders","Fatty acid metabolism","Phase 3 - rapid repolarisation","Bile acid and bile salt metabolism","Defective ABCC2 causes DJS","Arachidonic acid metaboli
sm","Recycling of bile acids and salts","Synthesis of Leukotrienes (LT) and Eoxins (EX)"}

> <broad_targets>
{CYP2C19,CYP2C9,CYP3A4}

> <broad_moa>
{"non-nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{Etravirine,269055-15-4,269055154,Intelence,"Etravirine (TMC125)",TMC-125,TMC125,"TMC 125",R165335,R-165335,UNII-0C50HW4FO1,UNII0C50HW4FO1,C20H15BrN6O,0C50HW4FO1,CHEMBL308954,CHEBI:63589,1142095-93-9,
1142095939,65B,Intelence(TM),"DAPY deriv","Intelence (TN)","Diaminopyrimidine deriv",T2551,S3080}

> <pdid>
PD005642

> <targets>
{"Reverse Transcriptase"}

> <classes>
{Microbiology}

> <pubchem_cids>
{193962}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2973   -2.2519    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0
    5.1830  -10.5134    0.0000 O   0  0
    7.7815  -10.5187    0.0000 C   0  0
    7.7816  -12.0187    0.0000 C   0  0
    9.0806  -12.7688    0.0000 C   0  0
   10.3797  -12.0188    0.0000 C   0  0
   10.3797  -10.5188    0.0000 N   0  0
    9.0807   -9.7688    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12240

> <plate>
PLATE 017

> <well>
A10

> <supplier_cmpd_name>
Etofibrate

> <ctcr_id>
2820

> <supplier_cmpd_id>
T2554

> <smiles>
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c2cccnc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PPARA}

> <broad_moa>
{"PPAR receptor agonist"}

> <synonyms>
{Etofibrate,31637-97-5,31637975,"Etofibrate (INN)",UNII-23TF67G79M,UNII23TF67G79M,ethofibrate,23TF67G79M,"2-(2-(4-chlorophenoxy)-2-methylpropanoyl)oxyethyl pyridine-3-carboxylate","2(2(4chlorophenoxy)
2methylpropanoyl)oxyethyl pyridine3carboxylate",Etofibrato,Etofibratum,"2-(2-(4-chlorophenoxy)-2-methylpropanoyloxy)ethyl nicotinate","2(2(4chlorophenoxy)2methylpropanoyloxy)ethyl nicotinate",Etofibr,
T2554,S4264}

> <pdid>
PD009423

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{65777}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0000    3.0000    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0  2  0  0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    1.2948   -3.7516    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2570    0.0000 O   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8976   -0.7553    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  3  8  1  0
  1  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  2  0
 12 14  1  0
  9 15  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12241

> <plate>
PLATE 017

> <well>
A11

> <supplier_cmpd_name>
Droxidopa

> <ctcr_id>
11136

> <supplier_cmpd_id>
T2547

> <smiles>
c1(cc(c(cc1)O)O)[C@H]([C@H](N)C(=O)O)O

> <pd_targets>
{CHRM1,NR1I2,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,ADRB2,ADRB3,PAH,FFP,BLM,TDP1,LMNA}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,"Other nuclear protein","Family A G protein-coupled receptor","Nuclear receptor",Oxidoreductase,Transferase,Hydrolase,"Small molecule receptor (famil
y A GPCR)","Nuclear hormone receptor subfamily 1","Monoamine receptor","Nuclear hormone receptor subfamily 1 group I","Acetylcholine receptor","Nuclear hormone receptor subfamily 1 group I member 2","
Adrenergic receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Nuclear hormone receptors","Amino acid hydroxylases","Acetylcholine receptors (muscarinic)","1I. Vitamin D receptor-like receptors",Adrenoceptors}

> <pathway_reactome>
{"Signal Transduction","Metabolism of proteins",Disease,Metabolism,"DNA Repair","Cell Cycle","Signaling by GPCR","Post-translational protein modification","Infectious disease","Metabolism of amino aci
ds and derivatives","DNA Double-Strand Break Repair",Mitotic,"GPCR ligand binding",SUMOylation,"Leishmania infection","Phenylalanine and tyrosine metabolism","Homology Directed Repair","Nonhomologous 
End-Joining (NHEJ)","M Phase","Class A/1 (Rhodopsin-like receptors)","SUMO E3 ligases SUMOylate target proteins","Leishmania parasite growth and survival","Phenylalanine metabolism","HDR through Homol
ogous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Amine ligand-binding receptors","SUMOylation of intracellular receptors","Anti-inflammatory response favou
ring Leishmania parasite infection","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Muscarinic acetylcholine receptors",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines pro
duction","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformat
ion"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,ADRB2,ADRB3,PAH}

> <broad_moa>
{"norepinephrine precursor"}

> <synonyms>
{droxidopa,23651-95-8,23651958,L-DOPS,LDOPS,DOPS,Northera,"(2S,3R)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid","(2S,3R)2amino3(3,4dihydroxyphenyl)3hydroxypropanoic acid",3916-18-5,3916185
,threo-Dopaserine,threoDopaserine,L-Threodops,LThreodops,"DL-threo-3,4-Dihydroxyphenylserine","DLthreo3,4Dihydroxyphenylserine",DL-threo-Droxidopa,DLthreoDroxidopa,UNII-J7A92W69L7,UNIIJ7A92W69L7,"SM 5
688",CHEBI:31524,L-di,Ldi,T2547,Droxidopa}

> <pdid>
PD014696

> <targets>
{"Adrenergic Receptor"}

> <classes>
{Neuroscience,"GPCR/G Protein"}

> <pubchem_cids>
{92974}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.2526   -1.3618    0.0000 C   0  0
    6.2524   -0.2436    0.0000 N   0  0
    5.4979    1.0528    0.0000 C   0  0
    4.0317    0.7359    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  3  1  0
  2  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  8  1  0
 14 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12242

> <plate>
PLATE 017

> <well>
B2

> <supplier_cmpd_name>
Dexmedetomidine

> <ctcr_id>
6271

> <supplier_cmpd_id>
T2524

> <smiles>
CC(c1c[nH]cn1)c2cccc(C)c2C

> <pd_targets>
{ADRA2B,ADRA2A,ADRA1A,ADRA1D,ADRA2C,NISCH,SLC6A2,MAOB,ADRA1B,MAOA}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein",Transporter,Enzyme,"Family A G protein-coupled receptor","Electrochemical transporter",Oxidoreductase,"Small molecule receptor (family A GPCR)","SLC supe
rfamily of solute carriers","Monoamine receptor","SLC06 neurotransmitter transporter family","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Catecholamine turnover",Adrenoceptors,"SLC6 neurotransmitter transporter family","Monoamine transpor
ter subfamily"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Signaling by GPCR","Disorders of transmembrane transporters","Biological oxidations","GPCR ligand binding","SLC transporter disorders","Phase I - Functionali
zation of compounds","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","Amine Oxidase reactions","Amine ligand-binding receptors","Biogenic amines are oxida
tively deaminated to aldehydes by MAOA and MAOB",Adrenoceptors}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{86347-14-0,86347140,Medetomidinum,"4-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole","4(1(2,3Dimethylphenyl)ethyl)1Himidazole",Medetomidina,Medetomidine,"Medetomidinum (Latin)","Medetomidina (Spanish)","
4-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole","4(1(2,3dimethylphenyl)ethyl)1Himidazole","5-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole","5(1(2,3dimethylphenyl)ethyl)1Himidazole",(+-)-4-,(+)4,S3075,Dexm
edetomidine}

> <pdid>
PD013841

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{68602}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  0  0            999 V2000
    8.6361    4.5567    0.0000 Cl  0  0
    6.1356   -1.0519    0.0000 C   0  0
    5.2020   -2.2259    0.0000 O   0  0
    3.7175   -2.0053    0.0000 C   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 N   0  0
   -2.5245    2.0171    0.0000 C   0  0
   -2.2987    3.5008    0.0000 C   0  0
   -3.4702    4.4390    0.0000 C   0  0
   -3.2444    5.9227    0.0000 N   0  0
   -1.8472    6.4683    0.0000 C   0  0
   -4.4159    6.8609    0.0000 C   0  0
   -4.1901    8.3446    0.0000 C   0  0
   -2.9882    9.1803    0.0000 C   0  0
   -3.8734   10.3883    0.0000 C   0  0
   -4.0362   11.8795    0.0000 C   0  0
   -5.4090   12.4840    0.0000 C   0  0
   -5.5689   13.9763    0.0000 O   0  0
   -4.3577   14.8612    0.0000 C   0  0
   -6.6190   11.5974    0.0000 C   0  0
   -7.9938   12.1994    0.0000 O   0  0
   -9.2024   11.3111    0.0000 C   0  0
   -6.4561   10.1062    0.0000 C   0  0
   -5.0833    9.5017    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1476   -0.7184    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 C   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.3277   -4.5763    0.0000 O   0  0
    2.3908   -5.7477    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  2  0
 27 16  1  0
 27 18  1  0
  9 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31  6  2  0
 31 32  1  0
 32 33  2  0
 33  4  1  0
 33 34  1  0
 34 35  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12243

> <plate>
PLATE 017

> <well>
B3

> <supplier_cmpd_name>
Ivabradine hydrochloride

> <ctcr_id>
4239

> <supplier_cmpd_id>
T2535

> <smiles>
Cl.COc1cc2CCN(CCCN(C)CC3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC

> <pd_targets>
{HCN1,HCN4,HCN2,HCN3}

> <pathway_gtopdb>
{"Ion channel","Voltage-gated ion channel","Cyclic nucleotide-regulated channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Cyclic nucleotide-regulated channels"}

> <pathway_reactome>
{"Neuronal System","Potassium Channels","HCN channels"}

> <broad_targets>
{HCN1,HCN3,HCN4}

> <broad_moa>
{"HCN channel blocker","potassium channel blocker","sodium channel blocker"}

> <synonyms>
{AKOS026750529,A808815,"Ivabradine R-Isomer HCl","Ivabradine RIsomer HCl",148849-68-7,148849687,"Ivabradin D3 HCl","ent-Ivabradine Hydrochloride","entIvabradine Hydrochloride",AKOS015951195,AK-46411,A
K46411,DS-002722,DS002722,FT-0659345,FT0659345,FT-0670577,FT0670577,T2535,S2086,"Ivabradine hydrochloride","Ivabradine HCl"}

> <pdid>
PD000477

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{53394924,22034064}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    2.2090   -0.3353    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8972    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    2.7095   -0.7710    0.0000 O   0  0
    3.4182   -2.8395    0.0000 C   0  0
    2.9720   -4.2725    0.0000 C   0  0
    2.5261   -5.7047    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12  6  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15  5  1  0
 15 16  1  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19  2  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12244

> <plate>
PLATE 017

> <well>
B4

> <supplier_cmpd_name>
Dienogest

> <ctcr_id>
3140

> <supplier_cmpd_id>
T2577

> <smiles>
CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(O)CC#N

> <pd_targets>
{PGR,AR}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormon
e receptor subfamily 3 group C member 4"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Post-translational protein modification","RNA Polymerase II Transcription",SUMOylation,"Generic Transcription Pathway","SUMO E3 ligases SUM
Oylate target proteins","Transcriptional regulation by RUNX2","SUMOylation of intracellular receptors","RUNX2 regulates bone development","RUNX2 regulates osteoblast differentiation"}

> <broad_targets>
{PGR}

> <broad_moa>
{"progesterone receptor agonist"}

> <synonyms>
{"17-cyanomethyl-17-hydroxy-estra-4,9-dien-3-one","17cyanomethyl17hydroxyestra4,9dien3one","17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile","17Hydroxy3oxo19norpregna4,9diene21nitrile",STL451056,LS
-14797,LS14797,"(17-hydroxy-3-oxoestra-4,9-dien-17-yl)acetonitrile","(17hydroxy3oxoestra4,9dien17yl)acetonitrile","(17a)-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile","(17a)17Hydroxy3oxo19norpre
gna4,9diene21nitrile",S1251,Dienogest}

> <pdid>
PD009046

> <targets>
{"Estrogen/progestogen Receptor"}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{13175121}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    5.7036   -6.3609    0.0000 N   0  0
    4.2111   -6.5099    0.0000 C   0  0
    3.5942   -7.8772    0.0000 O   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
    1.3786   -3.8595    0.0000 N   0  0
    1.8372   -5.2877    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
  6 16  1  0
 16 17  2  0
 17  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12245

> <plate>
PLATE 017

> <well>
B5

> <supplier_cmpd_name>
Rufinamide

> <ctcr_id>
2021

> <supplier_cmpd_id>
T2523

> <smiles>
NC(=O)c1cn(Cc2c(F)cccc2F)nn1

> <pd_targets>
{CA5A,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,GRM5}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor",Lyase,"Voltage-gated ion channel","Family C G protein-coupled receptor","Voltage-gated sodium channel","Small molecule receptor (family C GPCR)","Neurotransmi
tter receptor (family C GPCR)","Metabotropic glutamate receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Carbonic anhydrases","G protein-coupled receptors","Voltage-gated ion channels","Metabotropic glutamate receptors","Voltage-gated sodium channels"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Developmental Biology","Reversible hydration of carbon dioxide","Signaling by GPCR","Nervous system development","GPCR downstream signalling","Axon guidance","G alph
a (q) signalling events","L1CAM interactions","Interaction between L1 and Ankyrins"}

> <broad_targets>
{GRM5,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"voltage-gated sodium channel blocker"}

> <synonyms>
{Rufinamide,106308-44-5,106308445,Inovelon,Banzel,"1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide","1(2,6Difluorobenzyl)1H1,2,3triazole4carboxamide","Cgp 33101",CGP-33101,CGP33101,"1-((2,6-dif
luorophenyl)methyl)-1H-1,2,3-Triazole-4-carboxamide","1((2,6difluorophenyl)methyl)1H1,2,3Triazole4carboxamide",Xilep,"RUF 331",RUF-331,RUF331,1-((2,1((2,6-difluorophenyl)methyl)triazole-4-,6difluoroph
enyl)methyl)triazole4,T2523,S1256}

> <pdid>
PD002724

> <targets>
{Sodium Channel,Others}

> <classes>
{Transmembrane Transporters,Others}

> <pubchem_cids>
{129228}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 28  0  0  1  0            999 V2000
    6.3990    0.7288    0.0000 Na  0  3
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 S   0  0
   -1.2986   -3.7517    0.0000 O   0  0
    1.2993   -3.7504    0.0000 O   0  0
    0.0007   -4.5008    0.0000 O   0  5
   -2.5981    1.5000    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0  1  0  0  0
   -2.5801    4.4679    0.0000 C   0  0
   -5.1971    4.4584    0.0000 C   0  0
   -6.4964    3.7090    0.0000 O   0  0
   -5.1969    5.9584    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0  2  0  0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
  8 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  2  0
 22 24  1  0
 20 25  1  0
 25 15  1  0
 25 26  1  6
 26 27  1  0
 27  7  1  0
M  CHG  2   1   1  14  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12246

> <plate>
PLATE 017

> <well>
B6

> <supplier_cmpd_name>
Ecabet Sodium

> <ctcr_id>
11138

> <supplier_cmpd_id>
T2587

> <smiles>
[Na+].CC(C)c1cc2c(cc1S(=O)(=O)[O-])[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ecabet sodium",86408-72-2,86408722,TA-2711,TA2711,UNII-51MO2B2OSB,UNII51MO2B2OSB,51MO2B2OSB,"86408-72-2 (sodium)","86408722 (sodium)","Ecabet sodium salt",Gastrom,"Ecabet sodium (JAN)",TA-2711E,TA27
11E,"Ecabet (sodium salt)","Sulfodehydroabietic acid monosodium salt","12-Sulfodehydroabietic acid","12Sulfodehydroabietic acid",T2587,"Ecabet Sodium"}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{23663982}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 23  0  0  1  0            999 V2000
    0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
    1.2135    0.3943    0.0000 C   0  0  2  0  0  0
    0.0000    1.2760    0.0000 C   0  0  2  0  0  0
   -1.2135    0.3943    0.0000 C   0  0  1  0  0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -2.6375    0.8602    0.0000 N   0  0
   -2.9474    2.3287    0.0000 C   0  0
   -4.3730    2.7952    0.0000 N   0  0
   -1.8309    3.3304    0.0000 N   0  0
    0.0020    2.7742    0.0000 C   0  0  2  0  0  0
    1.3029    3.5225    0.0000 C   0  0
    1.3071    5.0234    0.0000 C   0  0
    0.4427    5.5262    0.0000 C   0  0
    2.6003    2.7678    0.0000 C   0  0
    2.5976    1.7678    0.0000 C   0  0
   -1.2963    3.5272    0.0000 N   0  0
   -1.2943    5.0280    0.0000 C   0  0
   -2.5918    5.7806    0.0000 O   0  0
   -0.4274    5.5266    0.0000 C   0  0
    2.1646    0.7033    0.0000 O   0  0
    1.6332   -2.2426    0.0000 C   0  0
    3.1247   -2.0836    0.0000 O   0  0
    1.0255   -3.6140    0.0000 O   0  0
   10.6255    1.0832    0.0000 O   0  0
    8.1255    1.0832    0.0000 O   0  0
    5.6255    1.0832    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  1  1  0
  4  6  1  1
  6  7  1  0
  7  8  2  0
  7  9  1  0
  3 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 10 16  1  1
 16 17  1  0
 17 18  2  0
 17 19  1  0
  2 20  1  6
  1 21  1  1
 21 22  2  0
 21 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12247

> <plate>
PLATE 017

> <well>
B7

> <supplier_cmpd_name>
Peramivir Trihydrate

> <ctcr_id>
11139

> <supplier_cmpd_id>
T2522

> <smiles>
[C@H]1([C@H]([C@H]([C@@H](C1)NC(=N)N)[C@H](C(CC)CC)NC(=O)C)O)C(=O)O.O.O.O

> <pd_targets>
{NANH,NA,NEU2}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Metabolism of proteins",Disease,"Post-translational protein modification","Infectious disease","Asparagine N-linked glycosylation","Influenza Infection","Biosynthesis of the N-glycan precursor (doli
chol lipid-linked oligosaccharide","LLO) and transfer to a nascent protein","Virus Assembly and Release","Synthesis of substrates in N-glycan biosythesis","Assembly of Viral Components at the Budding 
Site","Sialic acid metabolism","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus"}

> <broad_targets>
{}

> <broad_moa>
{"neuraminidase inhibitor"}

> <synonyms>
{"Peramivir trihydrate",1041434-82-5,1041434825,"Peramivir (trihydrate)",UNII-QW7Y7ZR15U,UNIIQW7Y7ZR15U,QW7Y7ZR15U,"Peramivir hydrate","Peramivir (USAN)","Rapivab (TN)","Peramivir (USAN/INN)","Peramiv
ir hydrate (JAN)",CHEMBL3989402,DTXSID60146317,C15H34N4O7,E,T2522,"Peramivir Trihydrate"}

> <pdid>
PD016191

> <targets>
{"influenza viral neuraminidase"}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{11954371}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 37  0  0  1  0            999 V2000
   -2.4346  -11.6804    0.0000 C   0  0
   -1.4185  -10.5759    0.0000 C   0  0
   -1.8661   -9.1434    0.0000 N   0  0
   -0.8500   -8.0388    0.0000 C   0  0
    0.6137   -8.3668    0.0000 O   0  0
   -1.2977   -6.6063    0.0000 C   0  0
   -0.2816   -5.5018    0.0000 C   0  0
   -0.7292   -4.0692    0.0000 C   0  0  2  0  0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0  2  0  0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0  2  0  0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
   -1.2991    2.2500    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
    3.8971    0.7500    0.0000 O   0  0
   -2.1929   -3.7413    0.0000 C   0  0
   -1.9870  -13.1130    0.0000 S   0  0
   -3.0025  -14.2169    0.0000 O   0  0
   -0.5233  -13.4409    0.0000 O   0  0
   -1.5390  -14.5445    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  6
 10 11  1  0
 12 11  1  6
 13 12  1  1
 13 14  1  0
 14 15  1  0
 16 15  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  1  0
 22 13  1  0
 22 23  1  6
 23 24  1  0
 24 25  1  0
 25  9  1  0
 25 12  1  0
 25 26  1  6
 21 27  1  6
 18 28  1  1
 14 29  1  6
  8 30  1  1
  1 31  1  0
 31 32  2  0
 31 33  2  0
 31 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12248

> <plate>
PLATE 017

> <well>
B8

> <supplier_cmpd_name>
Tauroursodeoxycholic Acid

> <ctcr_id>
11140

> <supplier_cmpd_id>
T2532

> <smiles>
C(CNC(=O)CC[C@H]([C@H]1CC[C@H]2[C@@H]3[C@H](C[C@@H]4C[C@@H](CC[C@@]4([C@H]3CC[C@]12C)C)O)O)C)S(=O)(=O)O

> <pd_targets>
{PLA2G1B,GPBAR1,SLC10A2,ENPP2,NR1H4,ABCC4,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Transporter,Hydrolase,"Family A G protein-coupled receptor","Electrochemical transporter",Phosphodiesterase,"Small molecule receptor (family A GPCR)","SLC superfamily of so
lute carriers","Lipid-like ligand receptor (family A GPCR)","SLC10 family of sodium-bile acid co-transporters","Steroid-like ligand receptor","Transcription factor","Nuclear receptor","Primary active 
transporter","Nuclear hormone receptor subfamily 1","ATP-binding cassette","Nuclear hormone receptor subfamily 1 group H","ABCC subfamily","ABCB subfamily","Nuclear hormone receptor subfamily 1 group 
H member 4"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Glycerophospholipid turnover","G protein-coupled receptors","SLC superfamily of solute carriers","LPA synthesis","Phospholipase A<sub>2</sub>","Bile acid receptor","SL
C10 family of sodium-bile acid co-transporters","Nuclear hormone receptors","ATP-binding cassette transporter family","1H. Liver X receptor-like receptors","ABCC subfamily","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Metabolism of lipids","Infectious disease","Metabolism of vitamins and cofactors","Phospholipid metabolism","Leishmania infection","Metabolism of steroids","Metabolism of water-so
luble vitamins and cofactors","Glycerophospholipid biosynthesis","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Vitamin B5 (pantothenate) metabolism","Acyl chain remod
elling of PC","Anti-inflammatory response favouring Leishmania parasite infection","Recycling of bile acids and salts","ADORA2B mediated anti-inflammatory cytokines production",Hemostasis,"Platelet ac
tivation","signaling and aggregation","Response to elevated platelet cytosolic Ca2+","Platelet degranulation","Synthesis of bile acids and bile salts","Synthesis of bile acids and bile salts via 27-hy
droxycholesterol","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{}

> <broad_moa>
{"cholesterol inhibitor"}

> <synonyms>
{"Tauroursodeoxycholic acid",14605-22-2,14605222,"14605 22 2",TUDCA,Tauroursodeoxycholate,Ursodeoxycholyltaurine,Taurolite,Taurursodiol,"UR 906",UNII-60EUX8MN5X,UNII60EUX8MN5X,"UNII 60EUX8MN5X","Ursod
eoxy cholic acid",60EUX8MN5X,CHEMBL272427,CHEBI:80774,"Sodium tauroursodeoxycholate",T2532,T2A2481,"Tauroursodeoxycholic Acid","Taurochenodeoxycholic Acid"}

> <pdid>
PD016227

> <targets>
{CYP3A}

> <classes>
{Metabolism}

> <pubchem_cids>
{9848818}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 42  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
   10.2796    5.1332    0.0000 C   0  0
    8.8124    4.8212    0.0000 C   0  0
    7.6981    5.8242    0.0000 C   0  0
    7.6981    7.3242    0.0000 C   0  0
    6.3990    8.0742    0.0000 C   0  0
    6.3990    9.5742    0.0000 O   0  0
    5.1000    7.3241    0.0000 C   0  0
    5.1000    5.8241    0.0000 C   0  0
    6.3990    5.0742    0.0000 C   0  0
    6.7105    3.6077    0.0000 N   0  0
    5.7100    2.4924    0.0000 C   0  0
    6.1756    1.0656    0.0000 C   0  0
    5.1756   -0.0525    0.0000 C   0  0
    5.6438   -1.4776    0.0000 C   0  0
    7.1120   -1.7846    0.0000 C   0  0
    7.5834   -3.2095    0.0000 O   0  0
    9.0529   -3.5146    0.0000 C   0  0
    9.5243   -4.9395    0.0000 C   0  0
   10.9938   -5.2446    0.0000 N   0  0
   11.3755   -6.7028    0.0000 C   0  0
   12.7407   -7.3242    0.0000 C   0  0
   14.0778   -6.6442    0.0000 C   0  0
   14.3798   -5.1749    0.0000 C   0  0
   13.4193   -4.0227    0.0000 C   0  0
   11.9197   -4.0552    0.0000 C   0  0
    8.1121   -0.6666    0.0000 C   0  0
    7.6439    0.7584    0.0000 C   0  0
    8.2023    3.4509    0.0000 C   0  0
    8.9526    2.1512    0.0000 C   0  0
    8.3039    0.8043    0.0000 C   0  0
    9.1495   -0.4347    0.0000 C   0  0
   10.6452   -0.3218    0.0000 C   0  0
   11.4908   -1.5607    0.0000 O   0  0
   11.2953    1.0300    0.0000 C   0  0
   10.4497    2.2689    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  2  0
 13  7  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 23  1  0
 19 30  1  0
 30 31  2  0
 31 16  1  0
 14 32  1  0
 32  6  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 39 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12249

> <plate>
PLATE 017

> <well>
B9

> <supplier_cmpd_name>
Bazedoxifene acetate

> <ctcr_id>
1467

> <supplier_cmpd_id>
T2544

> <smiles>
CC(O)=O.Cc1c2cc(O)ccc2n(Cc3ccc(OCCN4CCCCCC4)cc3)c1c5ccc(O)cc5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Bazedoxifene acetate",198481-33-3,198481333,Viviant,"Bazedoxifene (acetate)","Bazedoxifene  Acetate",WAY-140424,WAY140424,UNII-J70472UD3D,UNIIJ70472UD3D,J70472UD3D,"198481-33-3 (acetate)","198481333
 (acetate)",NCGC00182055-02,NCGC0018205502,Bazedoxifene-d4,Bazedoxifened4,DSSTox_CID_28583,DSSToxCID28583,DSSTox-CID-28583,"DSSTox CID 28583",DSSTox_RID_82854,DSSToxRID82854,DSSTox-RID-82854,"DSSTox R
ID 82854",DSSTox_GSID_48657,DSSToxGSID48657,DSSTox-GSID-48657,"DSSTox GSID 48657","TSE 424",B,T2544,S2167,"Bazedoxifene Acetate"}

> <pdid>

> <targets>
{"Estrogen/progestogen Receptor"}

> <classes>
{}

> <pubchem_cids>
{154256}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 11  0  0  0  0            999 V2000
   12.7999   -0.0085    0.0000 H   0  3
   10.2999   -0.0085    0.0000 Cl  0  5
    2.5971    4.5008    0.0000 N   0  0
    2.5986    3.0008    0.0000 C   0  0
    3.8985    2.2508    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 N   0  0
    3.8760   -0.7669    0.0000 C   0  0
    3.8773   -2.2669    0.0000 F   0  0
    2.5762   -0.0183    0.0000 F   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7992    0.0004    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  7 12  1  0
 12 13  1  0
 12 14  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12250

> <plate>
PLATE 017

> <well>
B10

> <supplier_cmpd_name>
Eflornithine hydrochloride Monohydrate

> <ctcr_id>
7631

> <supplier_cmpd_id>
T2593

> <smiles>
[H+].[Cl-].NCCCC(N)(C(F)F)C(O)=O

> <pd_targets>
{ODC1,LMNA,KDM4E,BLM,PMP22,SMN1,MAPT}

> <pathway_gtopdb>
{Enzyme,Lyase,"Other nuclear protein","Epigenetic regulator","Unclassified protein","Other cytosolic protein",Eraser,Reader,"Lysine demethylase","Methyl-lysine/arginine binding protein","Jumonji domai
n-containing","Tudor domain"}

> <pathway_chembl>
{Enzymes,"Carboxylases and decarboxylases",Decarboxylases,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Metabolism of amino acids and derivatives","Metabolism of polyamines","Regulation of ornithine decarboxylase (ODC)","Cell Cycle","DNA Repair","Developmental Biology","Metabolism of RNA","
Neuronal System",Mitotic,"DNA Double-Strand Break Repair","Nervous system development","Metabolism of non-coding RNA","Transmission across Chemical Synapses","M Phase","Homology Directed Repair","EGR2
 and SOX10-mediated initiation of Schwann cell myelination","snRNP Assembly","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic Metaphase and Anaphase","HDR through Homologous 
Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","Post NMDA receptor activat
ion events","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic pha
se of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ARG2,ODC1}

> <broad_moa>
{"ornithine decarboxylase inhibitor"}

> <synonyms>
{"EFLORNITHINE HYDROCHLORIDE",68278-23-9,68278239,"Eflornithine HCl",dfmo,"DL-alpha-Difluoromethylornithine hydrochloride","DLalphaDifluoromethylornithine hydrochloride","DFMO HCl","Eflornithine (hydr
ochloride)","2,5-diamino-2-(difluoromethyl)pentanoic acid hydrochloride","2,5diamino2(difluoromethyl)pentanoic acid hydrochloride",Vaniqa,2-(Difluoromethyl)-DL-orni,2(Difluoromethyl)DLorni,T2593,nan,"
Eflornithine hydrochloride Monohydrate",DFMO}

> <pdid>
PD007180

> <targets>
{"Ornithine Decarboxylase Inhibitor"}

> <classes>
{}

> <pubchem_cids>
{74764341,57004}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 48  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    3.9019   -5.2406    0.0000 O   0  0
    2.6101   -7.4945    0.0000 O   0  5
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1894   -6.0109    0.0000 N   0  0
   -5.1872   -7.5117    0.0000 C   0  0
   -6.4854   -8.2648    0.0000 C   0  0
   -6.4833   -9.7657    0.0000 C   0  0
   -7.7815  -10.5188    0.0000 C   0  0
   -7.7815  -12.0188    0.0000 C   0  0
   -9.0806  -12.7688    0.0000 C   0  0
  -10.3796  -12.0189    0.0000 C   0  0
  -10.3797  -10.5189    0.0000 C   0  0
   -9.0806   -9.7688    0.0000 C   0  0
   -5.1823  -10.5138    0.0000 C   0  0
   -5.1775  -12.0138    0.0000 C   0  0
   -3.8762  -12.7598    0.0000 C   0  0
   -2.5795  -12.0058    0.0000 C   0  0
   -2.5841  -10.5058    0.0000 C   0  0
   -3.8855   -9.7598    0.0000 C   0  0
   -6.4897   -5.2632    0.0000 C   0  0
   -3.8962   -2.2570    0.0000 C   0  0
   -5.1937   -3.0093    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11  5  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 29 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 36  1  0
 26 42  1  0
 24 43  1  0
 24 44  1  0
  9 45  1  0
M  CHG  2  18   1  20  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12251

> <plate>
PLATE 017

> <well>
B11

> <supplier_cmpd_name>
Lercanidipine

> <ctcr_id>
11141

> <supplier_cmpd_id>
T2519

> <smiles>
COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(CN(CCC(c1ccccc1)c1ccccc1)C)(C)C)C

> <pd_targets>
{RORC,MTOR,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNG1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Ion channel","Nuclear receptor",Kinase,"Voltage-gated ion channel","Nuclear hormone receptor subfamily 1","Protein Kinase","Voltage-gated calcium channel","Nuclear horm
one receptor subfamily 1 group F","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"
}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","1F. Retinoic acid-related orphans",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","RUNX3 Regulates Immune 
Response and Cell Migration","Regulation of TP53 Activity","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{CACNA2D1}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{Lercanidipine,100427-26-7,100427267,Lercanadipine,"Lercanil (TN)","Lercanidipine (INN)",C36H41N3O6,NCGC00167492-01,NCGC0016749201,"Lercanidipine (INN:BAN)",SCHEMBL25268,CHEMBL250270,SCHEMBL6846222,DT
XSID2048327,CHEBI:135930,HMS3604G05,BCP21318,EBD39590,HY-B0612,HYB0612,ABP0,T2519}

> <pdid>
PD009976

> <targets>
{"Calcium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{65866}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 19  0  0  1  0            999 V2000
   -5.2649   -4.1084    0.0000 O   0  0
   -4.3533   -5.2996    0.0000 C   0  0
   -2.8675   -5.1069    0.0000 C   0  0  2  0  0  0
   -1.8348   -6.1949    0.0000 C   0  0
   -0.4810   -5.5489    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0  1  0  0  0
   -2.1519   -3.7886    0.0000 O   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  6  8  1  1
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17  8  1  0
 17 11  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12252

> <plate>
PLATE 017

> <well>
C2

> <supplier_cmpd_name>
Didanosine

> <ctcr_id>
4950

> <supplier_cmpd_id>
T2578

> <smiles>
OC[C@@H]1CC[C@@H](O1)n2cnc3C(=O)NC=Nc23

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Didanosine,Prestw-153,Prestw153,CPD000058576,T2578,SAM001246673}

> <pdid>
PD000482

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{50599}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
   11.6883   -8.2536    0.0000 C   0  0
   10.3908   -7.5010    0.0000 O   0  0
   10.3929   -6.0001    0.0000 C   0  0
    9.0946   -5.2471    0.0000 C   0  0
    9.0967   -3.7463    0.0000 C   0  0
    7.7985   -2.9932    0.0000 N   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 15  1  0
 25 21  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12253

> <plate>
PLATE 017

> <well>
C3

> <supplier_cmpd_name>
Prucalopride

> <ctcr_id>
1371

> <supplier_cmpd_id>
T2542

> <smiles>
COCCCN1CCC(CC1)NC(=O)c2cc(Cl)c(N)c3CCOc23

> <pd_targets>
{AP4S1,HTR4,HTR3A}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Family A G protein-coupled receptor","Ligand-gated ion channel","Small molecule receptor (family A GPCR)","5HT3 receptor","Monoamine receptor","Serotonin receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Ligand-gated ion channels","5-Hydroxytryptamine receptors","5-HT<sub>3</sub> receptors"}

> <pathway_reactome>
{"Vesicle-mediated transport",Disease,"Neuronal System","Membrane Trafficking","Infectious disease","Transmission across Chemical Synapses","trans-Golgi Network Vesicle Budding","Leishmania infection"
,"Neurotransmitter receptors and postsynaptic signal transmission","Lysosome Vesicle Biogenesis","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite inf
ection","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{HTR4}

> <broad_moa>
{"serotonin receptor agonist"}

> <synonyms>
{Prucalopride,179474-81-8,179474818,Motegrity,UNII-0A09IUW5TP,UNII0A09IUW5TP,0A09IUW5TP,C18H26ClN3O3,CHEMBL117287,R-093877,R093877,"179474-81-8 (free base)","179474818 (free base)",resotrans,"Prucalop
ride (USAN:INN:BAN)",PubChem22481,"Prucalopride (USAN/INN)",DSSTox_CID_31459,DSSToxCID31459,DSSTox-CID-31459,"DSSTox CID 31459",DSSTox_RID_9734,DSSToxRID9734,DSSTox-RID-9734,"DSSTox RID 9734",T2542,S2
875}

> <pdid>
PD009298

> <targets>
{"5-HT Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{3052762}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 63 68  0  0  1  0            999 V2000
   24.4700   -3.5054    0.0000 Ca  0  2
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0  2  0  0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0  2  0  0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0072   -7.5009    0.0000 F   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.5987    1.5004    0.0000 C   0  0
    4.0196    1.4570    0.0000 C   0  0
    3.2676    2.7548    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7648    0.0000 O   0  0
    7.7858   -7.5171    0.0000 O   0  5
   20.6733   -5.2632    0.0000 O   0  0
   19.3730   -6.0109    0.0000 C   0  0  2  0  0  0
   18.0748   -5.2578    0.0000 C   0  0
   18.0769   -3.7570    0.0000 C   0  0  2  0  0  0
   19.3773   -3.0093    0.0000 O   0  0
   16.7787   -3.0039    0.0000 C   0  0
   16.7808   -1.5031    0.0000 C   0  0
   15.4826   -0.7500    0.0000 C   0  0
   15.4826    0.7500    0.0000 C   0  0
   14.1836    1.5000    0.0000 N   0  0
   12.8845    0.7500    0.0000 C   0  0
   11.5855    1.5000    0.0000 C   0  0
   10.2865    0.7500    0.0000 C   0  0
   10.2865   -0.7500    0.0000 C   0  0
   11.5855   -1.5000    0.0000 C   0  0
   12.8845   -0.7500    0.0000 C   0  0
   14.1836   -1.5000    0.0000 C   0  0
   14.1836   -3.0008    0.0000 C   0  0
   12.8857   -3.7529    0.0000 C   0  0
   12.8881   -5.2529    0.0000 C   0  0
   14.1884   -6.0009    0.0000 C   0  0
   14.1907   -7.5009    0.0000 F   0  0
   15.4862   -5.2488    0.0000 C   0  0
   15.4838   -3.7488    0.0000 C   0  0
   16.7823    1.5004    0.0000 C   0  0
   18.2032    1.4570    0.0000 C   0  0
   17.4512    2.7548    0.0000 C   0  0
   19.3709   -7.5117    0.0000 C   0  0
   20.6691   -8.2648    0.0000 C   0  0
   20.6669   -9.7648    0.0000 O   0  0
   21.9694   -7.5171    0.0000 O   0  5
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  1  0
 17 18  2  0
 18  9  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 10 26  1  0
 26 27  1  0
 27 28  1  0
 28 26  1  0
  3 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 34 33  1  1
 34 35  1  0
 35 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  2  3
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 43  1  0
 48 49  2  0
 49 40  1  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 52 53  2  0
 53 54  1  0
 53 55  1  0
 55 56  2  0
 56 50  1  0
 41 57  1  0
 57 58  1  0
 58 59  1  0
 59 57  1  0
 34 60  1  0
 60 61  1  0
 61 62  2  0
 61 63  1  0
M  CHG  3   1   2  32  -1  63  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12254

> <plate>
PLATE 017

> <well>
C4

> <supplier_cmpd_name>
Pitavastatin calcium

> <ctcr_id>
7423

> <supplier_cmpd_id>
T2534

> <smiles>
[Ca+2].O[C@H](C[C@H](O)C=Cc1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O)[O-].O[C@H](C[C@H](O)C=Cc5c(nc6ccccc6c5c7ccc(F)cc7)C8CC8)CC(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Pitavastatin calcium (Livalo)",HMS3884M08,s1759,CCG-270551,CCG270551,SW222228-1,SW2222281,Q27166402,S1759,"Pitavastatin Calcium"}

> <pdid>

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{132803}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 31  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 O   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4007    1.4818    0.0000 C   0  0
  -11.6971    0.7273    0.0000 C   0  0
  -11.6919   -0.7727    0.0000 C   0  0
  -10.3903   -1.5182    0.0000 C   0  0
   -9.0939   -0.7637    0.0000 C   0  0
  -12.9875   -1.5302    0.0000 C   0  0
  -12.9802   -3.0311    0.0000 C   0  0  1  0  0  0
  -11.6781   -3.7774    0.0000 C   0  0
  -11.6724   -5.2774    0.0000 O   0  0
  -10.3816   -3.0229    0.0000 O   0  0
  -14.2758   -3.7886    0.0000 N   0  0
  -14.2684   -5.2894    0.0000 S   0  0
  -12.9655   -6.0327    0.0000 O   0  0
  -12.9732   -4.5329    0.0000 O   0  0
  -15.5640   -6.0470    0.0000 C   0  0
  -15.5567   -7.5478    0.0000 C   0  0
  -16.8523   -8.3054    0.0000 C   0  0
  -16.8449   -9.8054    0.0000 C   0  0
    6.2990   -4.1531    0.0000 Cl  0  0
    3.7990   -4.1531    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 19 18  1  1
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12255

> <plate>
PLATE 017

> <well>
C5

> <supplier_cmpd_name>
Tirofiban hydrochloride monohydrate

> <ctcr_id>
11142

> <supplier_cmpd_id>
T2537

> <smiles>
N1CCC(CC1)CCCCOc1ccc(cc1)C[C@@H](C(=O)O)NS(=O)(=O)CCCC.Cl.O

> <pd_targets>
{ITGA2B,ITGB3,ITGAV}

> <pathway_gtopdb>
{"Membrane receptor"}

> <pathway_chembl>
{Receptors,"Catalytic receptors",Integrins}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","L1CAM interactions","Signal transduction by L1"}

> <broad_targets>
{ITGA2B,ITGB3}

> <broad_moa>
{"platelet aggregation inhibitor","structural glycoprotein antagonist"}

> <synonyms>
{373T602,Q-101314,Q101314,"Tirofiban hydrochloride monohydrate",150915-40-5,150915405,"TIROFIBAN HYDROCHLORIDE","Tirofiban hydrochloride hydrate","Tirofiban HCl","Tirofiban (hydrochloride monohydrate)
",Aggrastat,"Tirofiban HCl hydrate",UNII-6H925F8O5J,UNII6H925F8O5J,142373-60-2,142373602,T,T2537}

> <pdid>
PD009726

> <targets>
{GPIIb/IIIa,GPIIb/IIIa}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{60946}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  1  0            999 V2000
    2.0225   -1.9610    0.0000 O   0  0
    2.7117   -1.2364    0.0000 C   0  0  2  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7272    1.1906    0.0000 C   0  0
    3.6011   -0.0285    0.0000 C   0  0
    1.3949   -1.7454    0.0000 C   0  0
    4.1682   -1.5404    0.0000 C   0  0
    5.1861   -0.4376    0.0000 C   0  0
    6.6496   -0.7666    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  0
  7 12  1  1
  8 13  1  0
 13 14  1  0
  5 14  1  1
  6 15  1  6
 15 16  1  0
 16  3  1  0
  4 17  1  6
 17 18  1  0
 18  2  1  0
  3 19  1  6
  2 20  1  0
 20 21  1  0
 21 22  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12256

> <plate>
PLATE 017

> <well>
C6

> <supplier_cmpd_name>
Allylestrenol

> <ctcr_id>
11143

> <supplier_cmpd_id>
T2559

> <smiles>
O[C@@]1([C@@]2([C@H]([C@H]3[C@@H]([C@@H]4C(=CCCC4)CC3)CC2)CC1)C)CC=C

> <pd_targets>
{PGR,ESR1,ESR2}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone recepto
r subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group A member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors","3A. Estrogen receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Post-translational protein modification","RNA Polymerase II Transcription",SUMOylation,"Generic Transcription Pathway","SUMO E3 ligases SUM
Oylate target proteins","Transcriptional regulation by RUNX1","SUMOylation of intracellular receptors","RUNX1 regulates estrogen receptor mediated transcription"}

> <broad_targets>
{ESR1,PGR,SLC6A9}

> <broad_moa>
{"steroidal progestin"}

> <synonyms>
{allylestrenol,432-60-0,432600,Gestanin,Gestanon,Gestanol,Orageston,Turinal,Organon,Gestanyn,Allyloestrenol,"Estrenol, allyl-","Estrenol, allyl",17alpha-Allyl-4-estren-17beta-ol,17alphaAllyl4estren17b
etaol,17-allylestr-4-en-17-beta-ol,17allylestr4en17betaol,17alpha-Allylestr-4-en-17beta-ol,17alphaAllylestr4en17betaol,UNII-I47VB5DZ8O,UNIII47VB5DZ8O,I47VB5DZ8O,T2559,Allylestrenol}

> <pdid>
PD000107

> <targets>
{ER,Others}

> <classes>
{Endocrinology/Hormones,Others}

> <pubchem_cids>
{235905}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    6.3813   -0.2065    0.0000 Cl  0  0
    3.8805   -1.4410    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -1.3786    3.8595    0.0000 N   0  0
   -1.8372    5.2877    0.0000 C   0  0
   -3.3372    5.2929    0.0000 N   0  0
   -3.8056    3.8679    0.0000 C   0  0
   -5.2311    3.4009    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.5701   -4.1788    0.0000 C   0  0
    0.0400   -5.5491    0.0000 C   0  0
    1.5318   -5.7059    0.0000 C   0  0
    2.4135   -4.4923    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13  9  2  0
 13 14  1  0
  7 15  1  0
 15 16  2  0
 15 17  1  0
 17  4  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23  3  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12257

> <plate>
PLATE 017

> <well>
C7

> <supplier_cmpd_name>
Alosetron hydrochloride

> <ctcr_id>
3243

> <supplier_cmpd_id>
T2525

> <smiles>
Cl.Cn1c2CCN(Cc3nc[nH]c3C)C(=O)c2c4ccccc14

> <pd_targets>
{HTR3A,KCNH2,CYP3A4,SENP8,CASP6,CYP1A2,HTR2B}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Membrane receptor","Ligand-gated ion channel","Voltage-gated ion channel","Cytochrome P450",Protease,"Family A G protein-coupled receptor","5HT3 receptor","Potassium channels","
Cytochrome P450 family 3","Cysteine protease","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Voltage-gated potassium channel","Cytochrome P450 family 3A","Cysteine protease CE c
lan","Cysteine protease CD clan","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 3A4","Cysteine protease C48 family","Cysteine protease C14 family","Cytochrome P450 1A1","Serotonin r
eceptor"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Ligand-gated ion channels","Voltage-gated ion channels","Cytochrome P450","Peptidases and proteinases","G protein-coupled receptors","5-HT<sub>3</sub> receptors","Po
tassium channels","CYP3 family","CE: Cysteine (C) Peptidases","CD: Cysteine (C) Peptidases","CYP1 family","5-Hydroxytryptamine receptors","Voltage-gated potassium channels","C48: Ulp1 endopeptidase","
C14: Caspase"}

> <pathway_reactome>
{"Neuronal System","Muscle contraction",Metabolism,"Metabolism of proteins","Gene expression (Transcription)","Signal Transduction","Transmission across Chemical Synapses","Cardiac conduction","Metabo
lism of lipids","Post-translational protein modification","RNA Polymerase II Transcription","Biological oxidations","Signaling by GPCR","Neurotransmitter receptors and postsynaptic signal transmission
","Phase 3 - rapid repolarisation","Biosynthesis of specialized proresolving mediators (SPMs)",Deubiquitination,"Generic Transcription Pathway","Phase I - Functionalization of compounds","GPCR ligand 
binding","Biosynthesis of DHA-derived SPMs","UCH proteinases","Transcriptional Regulation by TP53","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Biosynthesis o
f maresins","TP53 Regulates Transcription of Cell Death Genes",Xenobiotics,"Amine ligand-binding receptors","Biosynthesis of maresin-like SPMs","TP53 Regulates Transcription of Caspase Activators and 
Caspases","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Serotonin receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ALOSETRON HYDROCHLORIDE",122852-69-1,122852691,"Alosetron HCl","GR 68755c","Alosetron (Hydrochloride)",UNII-2F5R1A46YW,UNII2F5R1A46YW,"Alosetron Hydrochloride(1:X)","Alosetron hydrochloride (USAN)",
132414-02-9,132414029,"Alosetron (Hydrochloride(1:X))","GR 68",T2525,SAM001246782,"Alosetron hydrochloride",CPD000469211}

> <pdid>
PD009613

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60758,44558893}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    4.4688   -9.0963    0.0000 O   0  0
    3.5939   -7.8779    0.0000 C   0  0
    2.1013   -8.0269    0.0000 O   0  0
    4.2111   -6.5099    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    1.8372   -5.2877    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8056   -3.8679    0.0000 N   0  0
    5.2311   -3.4009    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
  8 18  1  0
 18  5  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12258

> <plate>
PLATE 017

> <well>
C8

> <supplier_cmpd_name>
Tolmetin

> <ctcr_id>
11144

> <supplier_cmpd_id>
T2550

> <smiles>
O=C(O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C

> <pd_targets>
{HPGD,PTGS1,AKR1B1,GLO1,PTGS2,CXCL8}

> <pathway_gtopdb>
{Enzyme,"Secreted protein",Oxidoreductase,Lyase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","1.-.-.- Oxidoreductases","Prostaglandin synthases",Cyclooxygenase}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Metabolism of lipids","The citric acid (TCA) cycle and respiratory electron transport","Signaling by GPCR","Biosynthesis of specialized proresolving mediators (SPMs)
","Fatty acid metabolism","Metabolism of steroids","Pyruvate metabolism and Citric Acid (TCA) cycle","GPCR ligand binding","Biosynthesis of DHA-derived SPMs","Arachidonic acid metabolism","Metabolism 
of steroid hormones","Pyruvate metabolism","Biosynthesis of DPA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of D-series resolvins","Synthesis of Prostaglandins (PG) and Thrombox
anes (TX)","Pregnenolone biosynthesis","Biosynthesis of DPAn-3 SPMs","Peptide ligand-binding receptors","Chemokine receptors bind chemokines"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{tolmetin,26171-23-3,26171233,"1-Methyl-5-p-toluoylpyrrole-2-acetic acid","1Methyl5ptoluoylpyrrole2acetic acid",Tolectin,Tolmetine,"Tolmetina (DCIT)",McN-2559,McN2559,Tolmetina,Tolmetino,Tolmetinum,"T
olmetine (INN-French)","Tolmetine (INNFrench)","Tolmetinum (INN-Latin)","Tolmetinum (INNLatin)","Tolmetino (INN-Spanish)","Tolmetino (INNSpanish)","1H-Pyrrole-2-acetic acid","1HPyrrole2acetic acid",1,
T2550,Tolmetin}

> <pdid>
PD009991

> <targets>
{COX-1,COX-2,COX}

> <classes>
{Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{5509}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 25  0  0  0  0            999 V2000
    8.8990   -3.9134    0.0000 H   0  3
    6.3990   -3.9134    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -1.8032    3.1233    0.0000 N   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -3.9570   -5.3730    0.0000 C   0  0
   -4.9646   -6.4843    0.0000 C   0  0
   -4.2191   -7.7859    0.0000 C   0  0
   -2.7508   -7.4791    0.0000 N   0  0
   -1.6353   -8.4793    0.0000 C   0  0
   -1.9433   -9.9482    0.0000 C   0  0
   -0.8264  -10.9494    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  2  0
 11 12  1  0
 12 13  2  0
 13  5  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 18  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12259

> <plate>
PLATE 017

> <well>
C9

> <supplier_cmpd_name>
Alizapride hydrochloride

> <ctcr_id>
3143

> <supplier_cmpd_id>
T2574

> <smiles>
[H+].[Cl-].COc1cc2[nH]nnc2cc1C(=O)NCC3CCCN3CC=C

> <pd_targets>
{DRD2}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Dopamine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Dopamine receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Dopamine receptors"}

> <broad_targets>
{}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{Limican,Vergentan,Pliyivsn,"Alizaprid hydrochlorid",HY-A0125A,HYA0125A,DTXSID20974759,MFCD02183928,AC-6819,AC6819,CS-0019741,CS0019741,Q27258431,AKOS015896577,T2574,S4257,Prestw-451,"Alizapride hydro
chloride","Alizapride HCl"}

> <pdid>
PD009499

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6410734,49853452}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 60 65  0  0  1  0            999 V2000
    3.2068   -5.7810    0.0000 C   0  0
    2.2448   -4.6301    0.0000 O   0  0
    2.7600   -3.2200    0.0000 C   0  0  1  0  0  0
    4.0400   -2.4900    0.0000 C   0  0
    4.0400   -1.0400    0.0000 C   0  0  1  0  0  0
    4.7600    0.2300    0.0000 O   0  0
    3.4900    0.9500    0.0000 C   0  0
    2.7600   -0.3100    0.0000 C   0  0  2  0  0  0
    3.9139    0.6592    0.0000 O   0  0
    3.6492    2.1365    0.0000 C   0  0
    2.2381    2.6452    0.0000 C   0  0
    4.7950    3.1046    0.0000 O   0  0
    1.4900   -1.0400    0.0000 C   0  0  1  0  0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  2  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -6.2103   -1.0379    0.0000 C   0  0
   -6.2115   -2.5379    0.0000 O   0  0
   -7.5097   -0.2869    0.0000 C   0  0  2  0  0  0
   -7.5086    1.2131    0.0000 O   0  0
   -8.8103   -1.0359    0.0000 C   0  0  1  0  0  0
  -10.1074   -0.2810    0.0000 N   0  0
  -10.1032    1.2199    0.0000 C   0  0
   -8.8018    1.9658    0.0000 O   0  0
  -11.4003    1.9748    0.0000 O   0  0
  -11.3961    3.4756    0.0000 C   0  0
  -12.6925    4.2301    0.0000 C   0  0
  -10.0947    4.2215    0.0000 C   0  0
  -11.3911    4.9756    0.0000 C   0  0
   -8.8129   -2.5367    0.0000 C   0  0
  -10.1117   -3.2872    0.0000 C   0  0
  -10.1112   -4.7872    0.0000 C   0  0
   -8.8120   -5.5368    0.0000 C   0  0
   -7.5132   -4.7864    0.0000 C   0  0
   -7.5136   -3.2864    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
   -0.0974   -1.3380    0.0000 O   0  0
    1.3805   -1.5945    0.0000 C   0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  5  1  0
  8  9  1  1
  9 10  1  0
 10 11  1  0
 10 12  2  0
 13  8  1  6
 13 14  1  0
 14 15  1  1
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 14 24  1  0
 24 25  1  1
 24 26  1  0
 26 27  1  0
 27 28  1  1
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  1
 31 33  1  0
 33 34  1  6
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 38 41  1  0
 33 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 42  1  0
 27 48  1  0
 48 49  2  3
 49 50  1  0
 50 51  1  1
 51 52  1  0
 50 53  1  0
 53 54  2  0
 53 55  1  0
 55  3  1  0
 55 13  1  0
 55 56  1  6
 49 57  1  0
 57 24  1  0
 57 58  1  0
 57 59  1  0
 48 60  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12260

> <plate>
PLATE 017

> <well>
C10

> <supplier_cmpd_name>
Cabazitaxel

> <ctcr_id>
571

> <supplier_cmpd_id>
T2543

> <smiles>
CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C

> <pd_targets>
{TUBB5,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <pathway_gtopdb>
{"Structural protein"}

> <pathway_chembl>
{"Other protein targets",Tubulins}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G2-G2/M phases","M Phase","G2/M Transition","Mitotic Metaphase and Anaphase","Centrosome maturation","Mitotic Anaphase","Loss of proteins required for interphase microtu
bule organization from the centrosome","Nuclear Envelope (NE) Reassembly","Loss of Nlp from mitotic centrosomes","Sealing of the nuclear envelope (NE) by ESCRT-III"}

> <broad_targets>
{TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3D,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <broad_moa>
{"microtubule inhibitor"}

> <synonyms>
{CABAZITAXEL,183133-96-2,183133962,Jevtana,"Taxoid XRP6258",Cabazitaxelum,"TXD 258",Xrp6258,XRP-6258,XRP6258,UNII-51F690397J,UNII51F690397J,"XRP 6258","Jevtana (TN)",CHEBI:63584,51F690397J,kabazitaxel
,"Jevtana Kit","Cabazitaxel (Jevtana)","cabazitaxel acetonate","Cabazitaxel I",761432,"NSC 761432",Cabazitaxel}

> <pdid>
PD004087

> <targets>
{}

> <classes>
{"Microtubule inhibitor"}

> <pubchem_cids>
{9854073}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    7.5844   -1.4920    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.3882    2.1623    0.0000 N   0  0
    1.6774    3.4832    0.0000 C   0  0
    0.2015    3.2154    0.0000 C   0  0
   -0.8792    4.2531    0.0000 C   0  0
   -0.5213    5.7098    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 13  7  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  6  1  0
 21 16  1  0
  5 22  1  0
 22 23  1  0
 23  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12261

> <plate>
PLATE 017

> <well>
C11

> <supplier_cmpd_name>
Alcaftadine

> <ctcr_id>
11145

> <supplier_cmpd_id>
T2533

> <smiles>
CN1CCC(=C2c3ncc(C=O)n3CCc3ccccc23)CC1

> <pd_targets>
{HRH1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Histamine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Histamine receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Histamine receptors"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{Alcaftadine,147084-10-4,147084104,Lastacaft,R89674,UNII-7Z8O94ECSX,UNII7Z8O94ECSX,R-89674,"R 89674",7Z8O94ECSX,CHEBI:71023,"Lastacaft (TN)","Alcaftadine (USAN:INN)",alcaftadina,alcaftadinum,1794775-8
0-6,1794775806,"Alcaftadine (JAN/USAN/INN)",GTPL7587,SCHEMBL1602418,CHEMBL120174,T2533}

> <pdid>
PD009235

> <targets>
{"H1 receptor","H2 receptor","H4 receptor"}

> <classes>
{"GPCR/G Protein",Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{19371515}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0102   -7.5017    0.0000 N   0  0
    1.3123   -8.2482    0.0000 N   0  0
    1.3177   -9.7490    0.0000 C   0  0
    2.6197  -10.4955    0.0000 C   0  0
    3.9210  -11.2416    0.0000 N   0  0
    0.0205  -10.5037    0.0000 C   0  0
   -1.2760  -11.2581    0.0000 N   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  3  0
 15 18  1  0
 18 19  3  0
 12 20  1  0
 20 21  2  0
 21  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12262

> <plate>
PLATE 017

> <well>
D2

> <supplier_cmpd_name>
Levosimendan

> <ctcr_id>
7199

> <supplier_cmpd_id>
T2530

> <smiles>
C[C@@H]1CC(=O)NN=C1c2ccc(NN=C(C#N)C#N)cc2

> <pd_targets>
{PDE3A,PDE3B,TNNC1,TNNI3,TNNT2,KCNJ11,KCNJ8}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Ion channel",Phosphodiesterase,"Voltage-gated ion channel","Phosphodiesterase 3","Potassium channels","Phosphodiesterase 3A","Inwardly rectifying potassium channel"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","Cyclic nucleotide turnover/signalling","Potassium channels",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Inwardly rectifying potassium cha
nnels"}

> <pathway_reactome>
{"Muscle contraction",Disease,"Neuronal System","Signal Transduction","Striated Muscle Contraction","Disorders of transmembrane transporters","Potassium Channels","Signaling by GPCR","ABC transporter 
disorders","Inwardly rectifying K+ channels","GPCR downstream signalling","Defective ABCC8 can cause hypo- and hyper-glycemias","ATP sensitive Potassium channels","G alpha (s) signalling events"}

> <broad_targets>
{KCNJ11,KCNJ8,PDE3A,TNNC1}

> <broad_moa>
{"calcium sensitizer"}

> <synonyms>
{ACT02710,BCP07048,LEVOSIMENDAN,141505-33-1,141505331,Simdax,(-)-OR-1259,()OR1259,UNII-C6T4514L4E,UNIIC6T4514L4E,OR-1259,OR1259,CHEBI:50567,C6T4514L4E,Levosimedan,DSSTox_CID_26445,DSSToxCID26445,DSSTo
x-CID-26445,"DSSTox CID 26445",DSSTox_RID_81620,DSSToxRID81620,DSSTox-RID-81620,"DSSTox RID 81620",DSSTox_GSID_46445,DSSToxGSID46445,DSSTox-GSID-46445,"DSSTox GSID 46445",(R)-Simendan,(R)Simendan,levo
simendanum,SMR002529692,"Simdax (TN)",CAS-141505-33-,CAS14150533,S2446,Levosimendan}

> <pdid>
PD001659

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{3033825}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    7.6994    4.5206    0.0000 C   0  0
    6.1994    4.5163    0.0000 N   0  0
    5.3212    3.3003    0.0000 N   0  0
    3.8941    3.7597    0.0000 C   0  0
    2.5972    3.0060    0.0000 C   0  0
    1.2961    3.7523    0.0000 C   0  0
    1.2918    5.2523    0.0000 C   0  0
    2.5887    6.0060    0.0000 C   0  0
    3.8898    5.2597    0.0000 C   0  0
    5.3143    5.7273    0.0000 C   0  0
    5.7736    7.1552    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -0.0014    1.5008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 N   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.1977    2.9828    0.0000 N   0  0
   -5.1903    1.4820    0.0000 C   0  0
   -6.4841    0.7230    0.0000 C   0  0
   -6.4738   -0.7770    0.0000 C   0  0
   -5.1696   -1.5180    0.0000 C   0  0
   -5.1592   -3.0180    0.0000 C   0  0
   -3.8757   -0.7590    0.0000 C   0  0
   -3.8861    0.7409    0.0000 C   0  0
   -2.5708   -1.5004    0.0000 S   0  0
   -1.2773   -0.7410    0.0000 N   0  0
   -2.5595   -3.0004    0.0000 O   0  0
   -1.2663   -2.2408    0.0000 O   0  0
   -2.6005    2.9949    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  4  1  0
  9 10  2  0
 10  2  1  0
 10 11  1  0
  6 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
 25 27  1  0
 27 28  1  0
 27 29  2  0
 27 30  2  0
 18 31  2  0
 31 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12263

> <plate>
PLATE 017

> <well>
D3

> <supplier_cmpd_name>
Pazopanib

> <ctcr_id>
2306

> <supplier_cmpd_id>
T0097L

> <smiles>
Cn1nc2cc(ccc2c1C)N(C)c3ccnc(Nc4ccc(C)c(c4)[S](N)(=O)=O)n3

> <pd_targets>
{RET,ABL1,ABL2,JAK3,MAPK10,DDR2,LCK,EIF2AK2,PTK6,RAF1,MAP4K2,FGR,FYN,MYLK2,ROS1,STK36,PLK4,MAP2K4,EPHB6,FGFR3,MAP3K11,TXK,LIMK1,MAP3K10,CAMK1G,LIMK2,STK10,KIT,FLT4,FGFR1,FLT1,CDK16,PDGFRB,FRK,TNIK,MAP
K8,NEK2,DDR1,TGFBR2,KDR,MAP4K1,MAP4K3,BMP2K,MAP2K6,CDK11A,MAP3K9,LYN,FLT3,PI4KB,RIPK1,BLK,AURKC,SIK1,TIE1,ACHE,IGF1R,JAK2,GAK,RIOK2,ALK,FER,FGFR2,RIPK2,BRAF,CAMK1,NLK,TTK,PDGFRA,AAK1,ACVR2B,FGFR4,YES1
,MAP3K2,SYK,PTK2,EGFR,CSF1R,CDPK1,MERTK,STK16,MAP4K4,MAP4K5,CDK11B,PIP5K1C,PIP4K2C,MAP3K19,IRAK3,MET,BMPR1B,CDK7,TNK1,TAOK3,TAOK2,MAPK9,FES,HCK,TAOK1,LTK,IRAK1,TYK2,AURKA,TEK,MARK3,AURKB,MAP3K1,MAP2K5
,SRC,SRMS,SIK2,SLK,TNK2,NEK5,ABCB11,ABCC4,ITK,FGF1,SH2B3}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,"Secreted protein",Kinase,Transferase,Hydrolase,"Primary active transporter","Protein Kinase","ATP-binding cassette","TK protein kinase group","CMGC protein 
kinase group","Other protein kinase group","TKL protein kinase group","STE protein kinase group","CAMK protein kinase group","Atypical protein kinase group","ABCB subfamily","ABCC subfamily","Tyrosine
 protein kinase Ret family","Tyrosine protein kinase Abl family","Tyrosine protein kinase JakA family","CMGC protein kinase MAPK family","Tyrosine protein kinase DDR family","Tyrosine protein kinase S
rc family","Other protein kinase PEK family","TKL protein kinase RAF family","STE protein kinase STE20 family","CAMK protein kinase MLCK family","Tyrosine protein kinase Sev family","Other protein kin
ase ULK family","Other protein kinase PLK family","STE protein kinase STE7 family","Tyrosine protein kinase FGFR family","TKL protein kinase MLK family","Tyrosine protein kinase Tec family","TKL prote
in kinase LISK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Other protein kinase NEK famil
y","TKL protein kinase STKR family","Other protein kinase NAK family","TKL protein kinase RIPK family","Other protein kinase AUR family","Tyrosine protein kinase Tie family","Tyrosine protein kinase I
nsR family","Atypical protein kinase RIO family","Tyrosine protein kinase Fer family","Other protein kinase TTK family","STE protein kinase STE11 family","Tyrosine protein kinase Syk family","Tyrosine
 protein kinase Fak family","Tyrosine protein kinase Axl family","TKL protein kinase IRAK family","Tyrosine protein kinase Met family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Alk
 family","CMGC protein kinase JNK subfamily","Other protein kinase PKR","STE protein kinase KHS subfamily","Tyrosine protein kinase SrcA","TKL protein kinase MLK subfamily","TKL protein kinase LIMK su
bfamily","STE protein kinase SLK subfamily","CMGC protein kinase TAIRE subfamily","STE protein kinase MSN subfamily","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase PITSLRE subfamily",
"CAMK protein kinase QIK subfamily","Atypical protein kinase RIO2 subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase nmo subfamily","STE protein kinase MEKK2","CMGC protein kin
ase CDK7 subfamily","STE protein kinase TAO subfamily","CAMK protein kinase MARK subfamily","Tyrosine protein kinase Srm"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","Acetylcholine turnover","ATP-binding cassette transporter family","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK
 families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases",Atypical,"ABCB subfamily","ABCC subfamily
","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Other protein kinases","TKL: Tyrosine kinase-like","STE20 family","Myosin Light Chain Kinase (MLCK) family","STE7 family","CA
MK1 family","Cyclin-dependent kinase (CDK) family","1-phosphatidylinositol 4-kinase family","CAMK-like (CAMKL) family","RIO family","STE11 family","Type I PIP kinases (1-phosphatidylinositol-4-phospha
te 5-kinase family)","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","JNK subfamily","PEK family",
"RAF family","KHS subfamily","Unc-51-like kinase (ULK) family","Polo-like kinase (PLK) family","Mixed Lineage Kinase (MLK) family","LIM domain kinase (LISK) family","SLK subfamily","TAIRE subfamily","
MSN subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","Receptor serine/threonine kinase (RSTK) family","Numb-associated kinase (NAK) family","PITSLRE subfamily","Receptor intera
cting protein kinase (RIPK) family","Aurora kinase (Aur) family","QIK subfamily","RIO2 subfamily","nmo subfamily","TTK family","NAK family","STE20 subfamily","Interleukin-1 receptor-associated kinase 
(IRAK) family","CDK7 subfamily","TAO subfamily","MARK subfamily","Type XIV RTKs: RET","Abl family","Janus kinase (JakA) family","Type XVI RTKs: DDR (collagen receptor) family","Src family","Other PEK 
family kinases","Type XVII RTKs: ROS receptors","Type XIII RTKs: Ephrin receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","MLK subfamily","Tec family","LIMK subfamily","Ty
pe III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type II receptor serine/threonine kinases","Type XII RTKs: TIE family of 
angiopoietin receptors","Type II RTKs: Insulin receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fer family","Syk family","Fak family","Type XI RTKs: TAM (TYRO3-","AXL
- and MER-TK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type I receptor serine/threonine kinases","Ack family"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Immune System","Extracellular matrix organization","Cell Cycle","Signal Transduction","Cellular responses to external stimuli","Gene expression (Transcription)",Metab
olism,"Circadian Clock","Vesicle-mediated transport","Metabolism of RNA","Neuronal System",Hemostasis,"Nervous system development","Infectious disease","Cytokine Signaling in Immune system","Innate Im
mune System","Non-integrin membrane-ECM interactions",Mitotic,"MAPK family signaling cascades","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor
 Tyrosine Kinases","Intracellular signaling by second messengers","Cellular responses to stress","RNA Polymerase II Transcription","Metabolism of lipids","Membrane Trafficking","rRNA processing","Tran
smission across Chemical Synapses","Signaling by WNT","Signaling by NODAL","Cell surface interactions at the vascular wall","Signaling by TGFB family members","Signaling by Non-Receptor Tyrosine Kinas
es","Platelet activation","signaling and aggregation","Adaptive Immune System","Axon guidance","Leishmania infection","Signaling by Interleukins","Toll-like Receptor Cascades","HIV Infection","Influen
za Infection","Mitotic G1 phase and G1/S transition","MAPK1/MAPK3 signaling","Mitotic G2-G2/M phases","Signaling by FGFR in disease","Oncogenic MAPK signaling","Fc epsilon receptor (FCERI) signaling",
"Neutrophil degranulation","Signaling by KIT in disease","Signaling by VEGF","PIP3 activates AKT signaling","Cellular Senescence","Regulation of mitotic cell cycle","Signaling by TGF-beta Receptor Com
plex in Cancer","Generic Transcription Pathway","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","trans-Golgi Network Vesic
le Budding","rRNA processing in the nucleus and cytosol","Signaling by SCF-KIT","Signaling by NTRKs","Neurotransmitter receptors and postsynaptic signal transmission","Beta-catenin independent WNT sig
naling","Signaling by PDGFR in disease","Clathrin-mediated endocytosis","Regulation of signaling by NODAL","Signaling by FGFR","Signaling by BMP","M Phase","Interferon Signaling","Signaling by PTK6","
Metabolism of steroids","Response to elevated platelet cytosolic Ca2+","TCR signaling","FLT3 Signaling","RET signaling","Parasite infection","Signaling by ROBO receptors","Interleukin-2 family signali
ng","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","NS1 Mediated Effects on Host Pathways","G1 Phase","RAF/MAP kinase cascade","Leishmania parasite growth and survival","G2/M
 Transition","EPH-Ephrin signaling","Signaling by FGFR3 in disease","Signaling by RAS mutants","FCERI mediated Ca+2 mobilization","Semaphorin interactions","Drug resistance of KIT mutants","VEGF ligan
d-receptor interactions","Signaling by FGFR1 in disease","Negative regulation of the PI3K/AKT network","PTEN Regulation","Oxidative Stress Induced Senescence","APC/C-mediated degradation of cell cycle
 proteins","Loss of Function of SMAD2/3 in Cancer","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","PI Metabolism","Toll Like Receptor 4 (TLR4) Cascad
e","Transcriptional regulation by RUNX1","Glycerophospholipid biosynthesis","IGF1R signaling cascade","Golgi Associated Vesicle Biogenesis","Major pathway of rRNA processing in the nucleolus and cytos
ol","Signaling by FGFR2 in disease","Signaling by NTRK1 (TRKA)","Activation of NMDA receptors and postsynaptic events","Ca2+ pathway","Drug resistance of PDGFR mutants","Cargo recognition for clathrin
-mediated endocytosis","Signaling by FGFR4","Transcriptional Regulation by VENTX","Toll Like Receptor 2 (TLR2) Cascade","HIV Life Cycle","Mitotic Metaphase and Anaphase","Interferon alpha/beta signali
ng","PTK6 Down-Regulation","Bile acid and bile salt metabolism","Platelet degranulation","Generation of second messenger molecules","Negative regulation of FLT3","Leishmania phagocytosis","Role of ABL
 in ROBO-SLIT signaling","Interleukin-15 signaling","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Inhibition of PKR","Cyclin D associate
d events in G1","Negative regulation of MAPK pathway","Anti-inflammatory response favouring Leishmania parasite infection","Centrosome maturation","EPHB-mediated forward signaling","Signaling by FGFR3
 point mutants in cancer","Signaling downstream of RAS mutants","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","VEGF binds to VEGFR leading to receptor dimerization","FGFR1 mutant 
receptor activation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of PTEN stability and activity","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","SMAD2/
3 Phosphorylation Motif Mutants in Cancer","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity","IRS-mediated signalling","Synthesis of PIPs at the Golgi membrane","MyD88-independent TLR
4 cascade","RUNX1 regulates transcription of genes involved in BCR signaling","Synthesis of PC","IRS-related events triggered by IGF1R","FGFR2 mutant receptor activation","Signalling to ERKs","Post NM
DA receptor activation events","Imatinib-resistant PDGFR mutants","Downstream signaling of activated FGFR4","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","Toll Like Receptor TLR6
:TLR2 Cascade","Late Phase of HIV Life Cycle","CRMPs in Sema3A signaling","Mitotic Anaphase","Regulation of IFNA signaling","Signalling to ERK5","Synthesis of bile acids and bile salts","FCGR3A-mediat
ed phagocytosis","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Negative feedback regulation of MAPK pathway","FCGR3A-mediate
d IL10 synthesis","Nef and signal transduction","Loss of proteins required for interphase microtubule organization from the centrosome","FGFR3 mutant receptor activation","Sema4D induced cell migratio
n and growth-cone collapse","Signaling by activated point mutants of FGFR1","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Acetylation","Recruitment of mit
otic centrosome proteins and complexes","PI3K Cascade","TRIF(TICAM1)-mediated TLR4 signaling","Activated point mutants of FGFR2","Prolonged ERK activation events","Activation of RAC1 downstream of NMD
ARs","FRS-mediated FGFR4 signaling","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Sema4D mediated inhibition of cell attachment and migration","Transcription of the HIV genome","Separation 
of Sister Chromatids","Regulation of TP53 Activity through Phosphorylation","Signalling to RAS","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear events med
iated by MAP kinases","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Signaling by act
ivated point mutants of FGFR3","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","PI5P Regulates TP53 Acetylation","IKK complex recruitment medi
ated by RIP1","activated TAK1 mediates p38 MAPK activation","ARMS-mediated activation","HIV Transcription Elongation","p38MAPK events","Activation of the AP-1 family of transcription factors","APC-Cdc
20 mediated degradation of Nek2A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CSF1R,FGF1,FGFR1,FGFR3,FLT1,FLT4,ITK,KDR,KIT,PDGFRA,PDGFRB,SH2B3}

> <broad_moa>
{"KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","VEGFR inhibitor"}

> <synonyms>
{Pazopanib,444731-52-6,444731526,GW786034,UNII-7RN5DR86CK,UNII7RN5DR86CK,"Pazopanib (GW-786034)","Pazopanib (GW786034)","GW 786034",790713-33-6,790713336,7RN5DR86CK,"GW 78603",CHEBI:71219,MFCD11616589
,NCGC00188865-01,NCGC0018886501,DSSTox_CID_28659,DSSToxCID28659,DSSTox-CID-28659,"DSSTox CID 28659",DSSTox_RID_82929,DSSToxRID82929,DSSTox-RID-82929,"DSSTox RID 82929",DSSTox_GSID_48733,DSSToxGSID4873
3,DSSTox-GSID-48733,"DSSTox GSID 48733",GW-786034,C21H23N7O2S,CAS-444731-52,CAS44473152,T0097L,SY-Pazopanib,"Pazopanib (GW786034, Votrient)",PAZOPANIB}

> <pdid>
PD003339

> <targets>
{VEGFR,"VEGFR KIT PDGFR"}

> <classes>
{}

> <pubchem_cids>
{10113978}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 20  0  0  0  0            999 V2000
    8.8933   -1.1190    0.0000 O   0  0
    6.3933   -1.1190    0.0000 Na  0  3
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    1.2948    3.7517    0.0000 O   0  5
    3.8926    3.7566    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  5 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  4  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  CHG  2   2   1   8  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12264

> <plate>
PLATE 017

> <well>
D4

> <supplier_cmpd_name>
Amfenac Sodium Monohydrate

> <ctcr_id>
1997

> <supplier_cmpd_id>
T1720

> <smiles>
O.[Na+].Nc1c(CC([O-])=O)cccc1C(=O)c2ccccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{61618-27-7,61618277,"Sodium 2-(2-amino-3-benzoylphenyl)acetate hydrate","Sodium 2(2amino3benzoylphenyl)acetate hydrate","Amfenac sodium monohydrate","Amfenac sodium hydrate",UNII-PPF9V8J28Y,UNIIPPF9V
8J28Y,"Amfenac sodium H2O","Amfenac (Sodium Hydrate)",PPF9V8J28Y,AHR-5850D,AHR5850D,"Amfenac sodium (USAN:JAN)","Sodium (2-amino-3-","Sodium (2amino3",T1720,S4149,"Amfenac Sodium Monohydrate"}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{23663941}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  1  0            999 V2000
    5.0987   -2.0681    0.0000 O   0  0
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -2.2051   -3.7579    0.0000 C   0  0
   -2.9890   -5.0368    0.0000 C   0  0  2  0  0  0
   -2.4151   -6.4227    0.0000 O   0  0
   -4.4475   -4.6865    0.0000 C   0  0  1  0  0  0
   -5.5849   -5.6617    0.0000 C   0  0
   -5.3096   -7.1362    0.0000 O   0  0
   -4.5650   -3.1911    0.0000 C   0  0
   -5.8390   -2.3993    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  1
 16 17  1  0
 15 18  1  0
 18 11  1  0
 18 19  2  0
 10 20  1  0
 20  7  2  0
 20 21  1  0
 21  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12265

> <plate>
PLATE 017

> <well>
D5

> <supplier_cmpd_name>
Entecavir

> <ctcr_id>
7128

> <supplier_cmpd_id>
T0085L

> <smiles>
O.NC1=NC(=O)c2ncn(C3C[C@H](O)[C@@H](CO)C3=C)c2N1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"DNA replication inhibitor","nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{S1252,Baraclude,T0085,T0085L,"Entecavir hydrate",Entecavir,"Entecavir Hydrate"}

> <pdid>
PD013544

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{170342}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 47 49  0  0  1  0            999 V2000
   -3.8763    8.2639    0.0000 N   0  0
   -2.5814    7.5068    0.0000 C   0  0
   -2.5887    6.0060    0.0000 C   0  0  1  0  0  0
   -1.2918    5.2523    0.0000 O   0  0
   -1.2961    3.7523    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  2  0  0  0
    1.3092    5.2494    0.0000 C   0  0  1  0  0  0
    0.0127    6.0039    0.0000 N   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2088    5.9860    0.0000 N   0  0
    3.9020    3.7405    0.0000 C   0  0  2  0  0  0
    5.1985    2.9860    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0  1  0  0  0
    2.5984    1.4941    0.0000 O   0  0
    3.8966    0.7411    0.0000 C   0  0
    5.2480    1.3622    0.0000 O   0  0
    6.2518    0.2476    0.0000 C   0  0  2  0  0  0
    7.7415    0.4074    0.0000 C   0  0
    8.3495    1.7786    0.0000 O   0  0
    5.5018   -1.0515    0.0000 C   0  0  1  0  0  0
    6.1141   -2.4189    0.0000 O   0  0
    7.6070   -2.5736    0.0000 C   0  0  1  0  0  0
    8.4845   -1.3569    0.0000 O   0  0
    9.9768   -1.5084    0.0000 C   0  0  1  0  0  0
   10.8522   -0.2893    0.0000 C   0  0
   10.2353    1.0779    0.0000 N   0  0
   10.5917   -2.8766    0.0000 C   0  0  1  0  0  0
   12.0841   -3.0281    0.0000 O   0  0
    9.7143   -4.0932    0.0000 C   0  0  2  0  0  0
   10.3293   -5.4614    0.0000 O   0  0
    8.2220   -3.9417    0.0000 C   0  0  1  0  0  0
    7.3447   -5.1584    0.0000 N   0  0
    4.0346   -0.7397    0.0000 C   0  0  1  0  0  0
    2.9140   -1.7368    0.0000 O   0  0
   -2.5973    3.0060    0.0000 C   0  0  2  0  0  0
   -2.6015    1.5060    0.0000 N   0  0
   -3.8942    3.7597    0.0000 C   0  0  1  0  0  0
   -5.1953    3.0133    0.0000 O   0  0
   -3.8899    5.2597    0.0000 C   0  0  2  0  0  0
   -5.1868    6.0133    0.0000 O   0  0
   15.8848    1.7711    0.0000 O   0  0
   15.8848    0.2711    0.0000 S   0  0
   15.8848   -1.2289    0.0000 O   0  0
   14.5855   -0.4785    0.0000 O   0  0
   17.1841   -0.4785    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  6
 13 15  1  0
 15  7  1  0
 15 16  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  6
 20 21  1  0
 19 22  1  0
 22 23  1  1
 24 23  1  1
 24 25  1  0
 25 26  1  0
 26 27  1  1
 27 28  1  0
 26 29  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  6
 31 33  1  0
 33 24  1  0
 33 34  1  1
 22 35  1  0
 35 17  1  0
 35 36  1  1
  5 37  1  0
 37 38  1  6
 37 39  1  0
 39 40  1  1
 39 41  1  0
 41  3  1  0
 41 42  1  6
 43 44  1  0
 44 45  1  0
 44 46  2  0
 44 47  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12266

> <plate>
PLATE 017

> <well>
D6

> <supplier_cmpd_name>
Neomycin Sulphate B

> <ctcr_id>
1760

> <supplier_cmpd_id>
T2096

> <smiles>
NC[C@H]1OC(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2OC3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O.O[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"NEOMYCIN SULFATE",1405-10-3,1405103,SR-05000001924,SR05000001924,SPECTRUM1500427,HMS500C06,HMS1923K09,HMS2091H14,Pharmakon1600-01500427,Pharmakon160001500427,CCG-39721,CCG39721,NSC757240,NSC-757240,
SR-05000001924-1,SR050000019241,SR-05000001924-4,SR050000019244,T0950,T1104,T2096,1500427,"Neomycin sulfate","Paromomycin Sulfate","Neomycin Sulphate B"}

> <pdid>
PD007969

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5702091}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    3.6493   -9.7169    0.0000 C   0  0
    4.4967   -8.4792    0.0000 O   0  0
    3.8490   -7.1253    0.0000 C   0  0
    4.6946   -5.8864    0.0000 C   0  0
    4.0445   -4.5346    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.7031   -5.6606    0.0000 C   0  0
    2.3532   -7.0124    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
   -5.1969    1.4963    0.0000 N   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 O   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3034    3.7525    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17  9  2  0
 14 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 18  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12267

> <plate>
PLATE 017

> <well>
D7

> <supplier_cmpd_name>
Pimobendan

> <ctcr_id>
4576

> <supplier_cmpd_id>
T1708

> <smiles>
COc1ccc(cc1)c2[nH]c3ccc(cc3n2)C4=NNC(=O)CC4C

> <pd_targets>
{PDE3A,PDE3B,AGTR1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Phosphodiesterase,"Family A G protein-coupled receptor","Phosphodiesterase 3","Peptide receptor (family A GPCR)","Phosphodiesterase 3A","Short peptide receptor (family A GP
CR)","Angiotensin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Angiotensin receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{74150-27-9,74150279,pimobendane,Acardi,dl-Pimobendan,dlPimobendan,(-)-Pimobendan,()Pimobendan,Pimobendanum,"Pimobendan, (-)-","Pimobendan, ()","UD-CG 115","UDCG 115","Pimobendan (Vetmedin)",UNII-613J
XV89SU,UNII613JXV89SU,UNII-9HTU209Z0N,UNII9HTU209Z0N,118428-37-8,118428378,"BRN 4207330",CHEMBL24646,UD-CG-115BS,UDCG115BS,613JXV89SU,9HTU209Z0N,UD,T1708,S1550,Pimobendan}

> <pdid>
PD000457

> <targets>
{PDE,Phosphodiesterase (PDE)}

> <classes>
{Metabolism,Metabolic Enzyme/Protease}

> <pubchem_cids>
{4823}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 55 61  0  0  1  0            999 V2000
   -5.0852    7.0137    0.0000 C   0  0
   -3.7717    7.7380    0.0000 O   0  0
   -2.4864    6.9630    0.0000 C   0  0  1  0  0  0
   -2.5181    5.4633    0.0000 C   0  0
   -1.2351    4.6859    0.0000 C   0  0
    0.0794    5.4085    0.0000 O   0  0
    0.1111    6.9081    0.0000 C   0  0  1  0  0  0
    1.4256    7.6306    0.0000 C   0  0
   -1.1719    7.6854    0.0000 C   0  0
   -1.1402    9.1851    0.0000 O   0  0
   -1.2647    3.1854    0.0000 O   0  0
    0.0200    2.4100    0.0000 C   0  0  1  0  0  0
    0.0200    0.7000    0.0000 C   0  0  1  0  0  0
   -1.2767   -0.0540    0.0000 C   0  0
    1.2500    0.0000    0.0000 C   0  0
    1.2500   -1.6800    0.0000 C   0  0
    2.4800   -2.4800    0.0000 C   0  0
    2.4800   -4.1900    0.0000 C   0  0
    1.2500   -4.9900    0.0000 C   0  0
    1.2500   -6.5900    0.0000 O   0  0
    3.7100   -6.5900    0.0000 C   0  0  2  0  0  0
    4.9400   -7.5000    0.0000 C   0  0
    4.9386   -8.9977    0.0000 N   0  0
    3.6394   -9.7474    0.0000 O   0  0
    6.1800   -6.5900    0.0000 C   0  0
    6.1800   -4.9900    0.0000 C   0  0
    4.9400   -4.1900    0.0000 C   0  0  1  0  0  0
    4.9400   -2.4800    0.0000 C   0  0
    3.6228   -1.7623    0.0000 O   0  0
    6.1800   -1.6800    0.0000 O   0  0
    6.1800    0.0000    0.0000 C   0  0  1  0  0  0
    4.9400    0.7000    0.0000 C   0  0
    4.9400    2.4100    0.0000 C   0  0  1  0  0  0
    3.7100    3.2100    0.0000 C   0  0
    2.4800    2.4100    0.0000 C   0  0
    1.2500    3.2100    0.0000 C   0  0
    1.2500    4.7100    0.0000 C   0  0
    6.1800    3.2100    0.0000 O   0  0
    7.4100    2.4100    0.0000 C   0  0  2  0  0  0
    7.4100    4.0000    0.0000 C   0  0
    8.6400    4.8000    0.0000 C   0  0
    9.8600    4.0000    0.0000 C   0  0  2  0  0  0
   11.1798    4.7128    0.0000 C   0  0
    9.8600    2.4100    0.0000 C   0  0  2  0  0  0
    8.6400    1.6100    0.0000 O   0  0
   11.1805    1.6968    0.0000 C   0  0
   11.1944    0.1953    0.0000 C   0  0
   12.5002   -0.5430    0.0000 C   0  0
   13.7924    0.2187    0.0000 C   0  0
   13.7789    1.7186    0.0000 C   0  0
   12.4732    2.4569    0.0000 C   0  0
    7.4100    0.7000    0.0000 C   0  0
    3.7100   -4.9900    0.0000 C   0  0  2  0  0  0
    3.7100   -3.4900    0.0000 O   0  0
    7.5181   -7.2678    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9  3  1  0
  9 10  1  0
  5 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 21 20  1  1
 21 22  1  0
 22 23  2  0
 23 24  1  0
 22 25  1  0
 25 26  2  3
 27 26  1  6
 27 28  1  0
 28 29  2  0
 28 30  1  0
 31 30  1  1
 31 32  1  0
 33 32  1  1
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 12  1  0
 36 37  1  0
 33 38  1  0
 39 38  1  6
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  6
 42 44  1  0
 44 45  1  0
 45 39  1  0
 44 46  1  1
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 46  1  0
 39 52  1  0
 52 31  1  0
 27 53  1  0
 53 18  1  0
 53 21  1  0
 53 54  1  6
 25 55  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12268

> <plate>
PLATE 017

> <well>
D8

> <supplier_cmpd_name>
Selamectin

> <ctcr_id>
3458

> <supplier_cmpd_id>
T0124

> <smiles>
CO[C@H]1CC(O[C@@H](C)C1O)O[C@H]/2[C@@H](C)/C=C/C=C/3CO[C@@H]4\C(=N/O)C(=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C2C)O[C@@]6(CC[C@H](C)[C@H](O6)C7CCCCC7)C5)[C@]34O)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{nematocide}

> <synonyms>
{selamectin,165108-07-6,165108076,BSPBio_003213,BSPBio003213,BSPBio-003213,"BSPBio 003213",SPECTRUM1503720,CHEMBL3039369,HMS1922G18,HMS2093I17,Pharmakon1600-01503720,Pharmakon160001503720,CCG-39361,CC
G39361,NSC758615,NSC-758615,AB01562992_01,AB0156299201,AB01562992-01,"AB01562992 01",SR-05000002071,SR05000002071,SR-05000002071-1,SR050000020711,BRD-A40622617-001-02-1,BRDA40622617001021,BRD-A5856498
3-001-03-8,BRDA58564983001038,T4059,T0124,1503720,Selamectin,SELAMECTIN}

> <pdid>
PD012889

> <targets>
{Chloride Channel,Parasite,P-glycoprotein}

> <classes>
{antiparasitic,antimite,Anti-infection,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{16667695}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 16  0  0  0  0            999 V2000
    7.6943   -1.8787    0.0000 O   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2704   -2.2385    0.0000 N   0  0
   -0.0294   -2.9873    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
 12  5  1  0
  3 13  1  0
 13 14  1  0
  3 15  1  0
 15 16  1  0
 15 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12269

> <plate>
PLATE 017

> <well>
D9

> <supplier_cmpd_name>
Carbidopa Hydrate

> <ctcr_id>
7082

> <supplier_cmpd_id>
T2148

> <smiles>
O.CC(Cc1ccc(O)c(O)c1)(NN)C(O)=O

> <pd_targets>
{KDM4E,ALDH1A1,FFP,MAPK1,HSD17B10,HPGD,CYP3A4,LMNA,MAPT,ALD,REP,THPO,ALOX15,POLB,TDP1,CYP1A2,LCK,FYN,DDC,HIF1A,MTOR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other nuclear protein","Other cytosolic protein","Unclassified protein",Eraser,Oxidoreductase,Transferase,Kinase,"Cytochrome P450",Hydrolase,Lyase,"Lysine demethylase",
"Protein Kinase","Cytochrome P450 family 3","Cytochrome P450 family 1","Jumonji domain-containing","CMGC protein kinase group","Cytochrome P450 family 3A","Cytochrome P450 family 1A","TK protein kinas
e group","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Cytochrome P450 1A1","Tyrosine protein kinase Src family","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA","Transcription fac
tor","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Cytochrome P450","Anti-infective targets","Catalytic receptors","Carboxylases and
 decarboxylases","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Prostaglandin synthases","CYP3 family","Viral protein targets",Lipoxygenases,"CYP1 family","Receptor 
kinases",Decarboxylases,"Mitogen-activated protein kinases (MAP kinases)","Coronavirus (CoV) proteins","TK: Tyrosine kinase","ERK subfamily","Non-receptor tyrosine kinases (nRTKs)","Src family",Atypic
al,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Cell Cycle","Neuronal System",Disease,Hemostasis,"DNA Repair","Biological oxidations","Innate Immune System","Metabolism of amino acids and derivatives","Metabolism of lip
ids",Mitotic,"Transmission across Chemical Synapses","Infectious disease","Platelet activation","signaling and aggregation","Base Excision Repair","DNA Double-Strand Break Repair","Phase I - Functiona
lization of compounds","Toll-like Receptor Cascades","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Neurotransmitter receptors and postsy
naptic signal transmission","SARS-CoV Infections","Platelet Aggregation (Plug Formation)","Resolution of Abasic Sites (AP sites)","Nonhomologous End-Joining (NHEJ)","HIV Infection","Metabolism of amin
e-derived hormones","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events"
,"SARS-CoV-2 Infection","Biosynthesis of DPA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Cytochrome P450 - arranged by substrate type","Host Interacti
ons of HIV factors","Catecholamine biosynthesis","MyD88 cascade initiated on plasma membrane","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Mitotic Anaphase","Post NMDA receptor act
ivation events","SARS-CoV-2 Genome Replication and Transcription","Biosynthesis of DPAn-3 SPMs","PCNA-Dependent Long Patch Base Excision Repair",Xenobiotics,"The role of Nef in HIV-1 replication and d
isease pathogenesis","MAP kinase activation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Replication of the SARS-CoV-2 genome","Bi
osynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nef-mediates down modulation of cell surface receptors by recruiting them to 
clathrin adapters","Nef and signal transduction","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Nef Mediated CD4 Down-regulation","ERK/MAPK t
argets","ERKs are inactivated","Cellular responses to external stimuli","Gene expression (Transcription)","Cellular responses to stress","RNA Polymerase II Transcription","Cellular response to hypoxia
","Generic Transcription Pathway","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Expr
ession and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{DDC}

> <broad_moa>
{"aromatic L-amino acid decarboxylase inhibitor"}

> <synonyms>
{"Carbidopa hydrate",38821-49-7,38821497,"38821-49-7 (hydrate)","38821497 (hydrate)","3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid hydrate","3(3,4dihydroxyphenyl)2hydrazinyl2methylpropa
noic acid hydrate","3-(3,4-dihydroxyphenyl)-2-hydrazineyl-2-methylpropanoic acid hydrate","3(3,4dihydroxyphenyl)2hydrazineyl2methylpropanoic acid hydrate",CHEMBL71946,SCHEMBL9064019,HMS3259B14,BCP2850
8,SAM002703129,CPD001566944}

> <pdid>
PD001371

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{441291}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
   -8.9814   -2.9992    0.0000 C   0  0
   -7.5416   -3.4196    0.0000 O   0  0
   -7.1846   -4.8774    0.0000 C   0  0
   -8.2701   -5.9126    0.0000 C   0  0
   -7.9164   -7.3703    0.0000 C   0  0
   -9.0046   -8.4038    0.0000 N   0  0
   -8.6534   -9.8621    0.0000 C   0  0
  -10.4441   -7.9791    0.0000 C   0  0
  -11.5323   -9.0126    0.0000 C   0  0
  -12.9718   -8.5878    0.0000 N   0  0
  -14.0594   -9.6208    0.0000 C   0  0
  -13.3230   -7.1295    0.0000 C   0  0
   -6.4771   -7.7928    0.0000 C   0  0
   -6.1201   -9.2506    0.0000 N   0  0
   -4.6795   -9.6712    0.0000 C   0  0
   -3.5958   -8.6341    0.0000 O   0  0
   -4.3225  -11.1290    0.0000 C   0  0
   -2.8827  -11.5494    0.0000 C   0  0
   -5.3916   -6.7576    0.0000 C   0  0
   -5.7452   -5.2998    0.0000 C   0  0
   -4.6570   -4.2663    0.0000 N   0  0
   -3.2175   -4.6910    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 N   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8805   -1.4410    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  5 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 13 19  1  0
 19 20  2  0
 20  3  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 28  1  0
 37 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12270

> <plate>
PLATE 017

> <well>
D10

> <supplier_cmpd_name>
Osimertinib

> <ctcr_id>
8367

> <supplier_cmpd_id>
T2490

> <smiles>
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3cn(C)c4ccccc34

> <pd_targets>
{EGFR,INSR,KCNH2,GSC2,CTSC,ERBB2,ERBB3,ERBB4,REP,ALK,EML4}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel",Transferase,Protease,"Protein Kinase","Potassium channels","Cysteine protease","TK protein kinase group","Voltage-gated potassium channel","Cys
teine protease CA clan","TKL protein kinase group","Tyrosine protein kinase EGFR family","Tyrosine protein kinase InsR family","Cysteine protease C1A family","TKL protein kinase STKR family","TKL prot
ein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Other protein targets","Catalytic receptors","Voltage-gated ion channels","Peptidases and proteinases","Anti-infective targets","Receptor kinases","Potassium channel
s","CA: Cysteine (C) Peptidases","Viral protein targets","TK: Tyrosine kinase","Voltage-gated potassium channels","C1: Papain","Coronavirus (CoV) proteins","Receptor tyrosine kinases (RTKs)","Type I R
TKs: ErbB (epidermal growth factor) receptor family","Type II RTKs: Insulin receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Metabolism of proteins",Disease,"Signaling by GPCR","Intracellular signaling by second messengers","Cardiac conduction","Post-translational protein modific
ation","Infectious disease","GPCR downstream signalling","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation","Asparagine N-linked glycosylation","SARS-CoV Infections","G alpha (q) signalli
ng events","Negative regulation of the PI3K/AKT network","Transport to the Golgi and subsequent modification","SARS-CoV-2 Infection","Gastrin-CREB signalling pathway via PKC and MAPK",PI5P,"PP2A and I
ER3 Regulate PI3K/AKT Signaling","ER to Golgi Anterograde Transport","SARS-CoV-2 Genome Replication and Transcription","EGFR Transactivation by Gastrin","Cargo concentration in the ER","Replication of
 the SARS-CoV-2 genome"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{AZD-9291,AZD9291,1421373-65-0,1421373650,Mereletinib,"AZD 9291",Tagrisso,UNII-3C06JJ0Z2O,UNII3C06JJ0Z2O,"Osimertinib free base",3C06JJ0Z2O,"1421373-65-0 (free base)","1421373650 (free base)","Merelet
inib (INN)","Osimertinib (USAN)",osimertinibum,Tube720,"Osimertinib; AZD 9291",Osimertinib;,T3634,T2490,779217,"Osimertinib mesylate",Osimertinib}

> <pdid>
PD009249

> <targets>
{EGFR}

> <classes>
{JAK/STAT Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{71496458}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 25  0  0  0  0            999 V2000
   16.6998   -2.2507    0.0000 H   0  3
   14.1998   -2.2507    0.0000 Cl  0  5
   11.6991   -0.7641    0.0000 C   0  0
   10.3987   -1.5118    0.0000 C   0  0
    9.0999   -0.7599    0.0000 N   0  0
    9.0990    0.7409    0.0000 C   0  0
    7.7999    1.4910    0.0000 C   0  0
    7.7988   -1.5080    0.0000 C   0  0
    6.4999   -0.7561    0.0000 C   0  0
    5.1988   -1.5042    0.0000 O   0  0
    3.8999   -0.7523    0.0000 C   0  0
    3.9021    0.7477    0.0000 O   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.6001   -0.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5996   -3.0013    0.0000 C   0  0
    1.3010   -3.7520    0.0000 C   0  0
    1.3018   -5.2520    0.0000 C   0  0
    2.6012   -6.0013    0.0000 C   0  0
    3.8998   -5.2506    0.0000 C   0  0
    3.8990   -3.7506    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 13 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12271

> <plate>
PLATE 017

> <well>
D11

> <supplier_cmpd_name>
Benactyzine hydrochloride

> <ctcr_id>
1105

> <supplier_cmpd_id>
T2571

> <smiles>
[H+].[Cl-].CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2

> <pd_targets>
{AMPC,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Hydrolase,Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"butyrylcholinesterase inhibitor"}

> <synonyms>
{AKOS026750542,"Benactyzine hydrochloride",57-37-4,57374,Tranquilline,Amitakon,Benaktin,Destendo,Ibiotyzil,Leucidil,Nervacton,Nervatil,Neuraktil,Neurobenzil,Suavitil,Valladan,Valladon,Aktozin,Amisil,A
misyl,Amizil,Amysyl,Amyzyl,Arkadin,Cafron,Cevanol,SAM001246868,CPD000059142}

> <pdid>
PD009067

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{57446134,71773962,66448}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 19  0  0  1  0            999 V2000
   11.4936   -2.0085    0.0000 Cl  0  5
    5.1889   -6.0106    0.0000 C   0  0
    3.8914   -5.2578    0.0000 C   0  0
    3.8937   -3.7570    0.0000 N   0  0
    5.1963   -3.0116    0.0000 C   0  0
    6.4929   -3.7658    0.0000 C   0  0
    2.5955   -3.0038    0.0000 C   0  0
    1.2951   -3.7514    0.0000 O   0  0
    2.5978   -1.5030    0.0000 C   0  0  2  0  0  0
    3.9823   -1.5719    0.0000 C   0  0
    3.2345   -0.2716    0.0000 C   0  0  2  0  0  0
    3.2075    1.2189    0.0000 C   0  0
    4.4919    1.9936    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    8.9936   -2.0085    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  9  7  1  1
  9 10  1  0
 10 11  1  0
 11  9  1  0
 11 12  1  1
 12 13  1  0
  9 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  CHG  2   1  -1  20   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12272

> <plate>
PLATE 017

> <well>
E2

> <supplier_cmpd_name>
Levomilnacipran

> <ctcr_id>
1874

> <supplier_cmpd_id>
T2594

> <smiles>
[Cl-].CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2.[H+]

> <pd_targets>
{SLC6A4,SLC6A3,SLC6A2,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,MAPK1,KDM4E,CYP2D6,NET}

> <pathway_gtopdb>
{Transporter,"Ion channel","Electrochemical transporter","Ligand-gated ion channel","SLC superfamily of solute carriers","Ionotropic glutamate receptor","SLC06 neurotransmitter transporter family","NM
DA receptor",Enzyme,"Epigenetic regulator",Kinase,Eraser,"Cytochrome P450","Protein Kinase","Lysine demethylase","Cytochrome P450 family 2","CMGC protein kinase group","Jumonji domain-containing","Cyt
ochrome P450 family 2D","CMGC protein kinase MAPK family","Cytochrome P450 2D6","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC6 neurotransmitter transporter family","Monoamine transporter subfamily",Enzymes,"Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Cytochrome
 P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System",Disease,"Transmission across Chemical Synapses","Disorders of transmembrane transporters","Neurotransmitter clearance","SLC transporter disorders","Serotonin clearance from the syna
ptic cleft","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)","Immune System",Metabolism,"Innate Immune System","Biological oxida
tions","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","MyD88 cascade initiated on plasma 
membrane",Xenobiotics,"MAP kinase activation","CYP2E1 reactions","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{SLC6A2,SLC6A4}

> <broad_moa>
{"serotoninânorepinephrine reuptake inhibitor (SNRI)"}

> <synonyms>
{"Milnacipran hydrochloride","Milnacipran HCl",101152-94-7,101152947,"101152 94 7",Savella,Milnacipran,"Milnacipran (hydrochloride)","F 2207",175131-61-0,175131610,"175131 61 0","(1R-cis)-Milnacipran 
Hydrochloride","(1Rcis)Milnacipran Hydrochloride","(1Rcis)Milnacipran Hydrochl",T2594,SAM001247035,Levomilnacipran,CPD000449266}

> <pdid>
PD009171

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{55480,67108486,163701}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 13  0  0  0  0            999 V2000
    6.4292    0.2204    0.0000 H   0  3
    3.9292    0.2204    0.0000 Cl  0  5
    1.8858    2.3059    0.0000 C   0  0
    0.4721    1.8044    0.0000 N   0  0
    0.2258    0.3245    0.0000 C   0  0
    1.4090   -0.5974    0.0000 C   0  0
   -0.7619    1.3122    0.0000 C   0  0
   -2.1729    1.1994    0.0000 C   0  0
   -3.2594    0.3245    0.0000 C   0  0
   -1.3969    0.5221    0.0000 C   0  0
   -0.6067    2.6950    0.0000 C   0  0
   -0.1411   -1.0441    0.0000 C   0  0
   -0.9872   -2.2827    0.0000 C   0  0
    1.3444   -1.2519    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
 10 12  1  0
 12  5  1  0
 12 13  1  0
 12 14  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12273

> <plate>
PLATE 017

> <well>
E3

> <supplier_cmpd_name>
Mecamylamine hydrochloride

> <ctcr_id>
2800

> <supplier_cmpd_id>
T2141

> <smiles>
[H+].[Cl-].CNC1(C)C2CCC(C2)C1(C)C

> <pd_targets>
{CHRNA1,CHRNB1,CHRND,CHRNG,CHRNA3,CHRNB4,CHRNA4,CHRNB2,CHRNA7}

> <pathway_gtopdb>
{"Ion channel","Ligand-gated ion channel","Nicotinic acetylcholine receptor","Nicotinic acetylcholine receptor alpha subunit"}

> <pathway_chembl>
{"Ion channels","Ligand-gated ion channels","Nicotinic acetylcholine receptors"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Acetylcholine binding and downstream events","Postsynaptic nicotinic acety
lcholine receptors","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors"}

> <broad_targets>
{CHRNA1,CHRNA2,CHRNA3,CHRNA4,CHRNA6,CHRNA7,CHRNB4}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{AKOS015917458,"MECAMYLAMINE HYDROCHLORIDE",826-39-1,826391,Inversine,"Mecamylamine (hydrochloride)",Mevasine,UNII-4956DJR58O,UNII4956DJR58O,"N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochlor
ide","N,2,3,3Tetramethylbicyclo(2.2.1)heptan2amine hydrochloride",N,2,3,"3-Tetramethyl-2-norbornanamine hydroc","3Tetramethyl2norbornanamine hydroc",1500374,Prestw-1111,"Mecamylamine hydrochloride"}

> <pdid>
PD009867

> <targets>
{nAChR}

> <classes>
{antihypertensive,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{46912050,13221}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 36  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    1.3000   -0.7500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
    6.4000    2.2500    0.0000 C   0  0
    6.4000    0.7500    0.0000 S   0  0
    6.4000   -0.7500    0.0000 O   0  0
    5.1007    0.0004    0.0000 O   0  0
    7.6992    0.0004    0.0000 O   0  0
   25.7859   -1.4983    0.0000 N   0  0
   25.7885   -2.9983    0.0000 C   0  0
   27.0891   -3.7457    0.0000 N   0  0
   24.4898   -3.7506    0.0000 N   0  0
   23.1885   -3.0028    0.0000 C   0  0
   21.8895   -3.7528    0.0000 C   0  0
   20.5905   -3.0027    0.0000 C   0  0
   20.5904   -1.5027    0.0000 C   0  0
   21.8895   -0.7528    0.0000 C   0  0
   23.1886   -1.5028    0.0000 C   0  0
   19.2922   -0.7496    0.0000 C   0  0
   17.9918   -1.4974    0.0000 O   0  0
   19.2943    0.7512    0.0000 O   0  0
   17.9961    1.5043    0.0000 C   0  0
   17.9961    3.0043    0.0000 C   0  0
   16.6971    3.7543    0.0000 C   0  0
   15.3980    3.0043    0.0000 C   0  0
   14.0990    3.7543    0.0000 C   0  0
   12.7999    3.0043    0.0000 C   0  0
   12.8000    1.5043    0.0000 C   0  0
   14.0990    0.7543    0.0000 C   0  0
   15.3980    1.5043    0.0000 C   0  0
   16.6971    0.7543    0.0000 C   0  0
   11.4986    3.7520    0.0000 C   0  0
   11.4960    5.2520    0.0000 N   0  0
   10.2007    3.0002    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  2  5  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  7 10  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 27  1  0
 32 33  2  0
 33 24  1  0
 29 34  1  0
 34 35  1  0
 34 36  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12274

> <plate>
PLATE 017

> <well>
E4

> <supplier_cmpd_name>
Nafamostat mesylate

> <ctcr_id>
6467

> <supplier_cmpd_id>
T2392

> <smiles>
C[S](O)(=O)=O.C[S](O)(=O)=O.NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N

> <pd_targets>
{C1S,ALDH1A1,ASIC3,PRSS1,PLG,C1R,NGFG,F10,TPSAB1,ASIC2,HPN,ITGA2B,ITGB3,F2,ST14,ASIC1,HGFAC,MAPT,LMNA,TMPRSS2,TRPM7,F12,ICAM1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor","Unclassified protein","Other cytosolic protein","Other nuclear protein",Adhesion,Protease,Oxidoreductase,"Ligand-gated ion channel","Voltage-gated ion channe
l","Serine protease","Acid-sensing ion channel","Transient receptor potential channel","Serine protease PA clan","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Peptidases and proteinases","Ligand-gated ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","PA: Serine (S) Peptidases","Acid-sensing (proton-gated) ion cha
nnels (ASICs)",Integrins,Atypical,"S1: Chymotrypsin","Alpha kinase family","ChaK subfamily"}

> <pathway_reactome>
{"Immune System",Metabolism,"Transport of small molecules",Hemostasis,"Metabolism of proteins",Disease,"Extracellular matrix organization","Signal Transduction","Developmental Biology","Neuronal Syste
m","Cell Cycle","Innate Immune System","Biological oxidations","Ion channel transport","Metabolism of vitamins and cofactors","Platelet activation","signaling and aggregation","Regulation of Insulin-l
ike Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)","Diseases of hemostasis","Degradation of the extracellular matrix","Signaling by Receptor Tyrosine
 Kinases",Keratinization,"Transmission across Chemical Synapses",Mitotic,"Infectious disease","Cytokine Signaling in Immune system","Complement cascade","Phase I - Functionalization of compounds","Sti
muli-sensing channels","Metabolism of water-soluble vitamins and cofactors","Response to elevated platelet cytosolic Ca2+","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)
","Activation of Matrix Metalloproteinases","Signaling by MET","Formation of the cornified envelope","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","SARS-CoV Infections","
Interferon Signaling","Initial triggering of complement","Ethanol oxidation","Cobalamin (Cbl","vitamin B12) transport and metabolism","Platelet degranulation","Defective factor IX causes hemophilia B"
,"MET Receptor Activation","Defective factor VIII causes hemophilia A","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","SARS-CoV-1 Infection","TRP channels","De
fective factor XII causes hereditary angioedema","Interferon gamma signaling","Creation of C4 and C2 activators","Defective F9 variant does not activate FX","Defective F8 cleavage by thrombin","Post N
MDA receptor activation events","Mitotic Anaphase","Attachment and Entry","Classical antibody-mediated complement activation","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembl
y","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ASIC1,ASIC2,ASIC3,C1R,PRSS1,TPSAB1,TRPM7}

> <broad_moa>
{"serine protease inhibitor"}

> <synonyms>
{"Nafamostat dimethanesulfonate","Nafamostat mesylate (USAN)",UNII-1D2T74921W,UNII1D2T74921W,FUT-175,FUT175,1D2T74921W,"FUT 175","6-Amidino-2-naphthyl p-guanidinobenzoate, dimethanesulfonate","6Amidin
o2naphthyl pguanidinobenzoate, dimethanesulfonate",AKOS026750464,"Nafamostat mesylate",82956-11-4,82956114,Futhan,nafamosta,T2392,S1386,"Nafamostat Mesylate"}

> <pdid>
PD013543

> <targets>
{Proteasome}

> <classes>
{Proteases}

> <pubchem_cids>
{11961431,54953,5311180}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    7.5987   -4.3657    0.0000 H   0  3
    5.0987   -4.3657    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5533    4.4223    0.0000 O   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 N   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 N   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -1.3071   -9.7511    0.0000 C   0  0
   -0.0924  -10.6092    0.0000 N   0  0
   -0.5539  -12.0365    0.0000 S   0  0
   -2.0531  -12.0383    0.0000 C   0  0
   -3.0552  -13.1544    0.0000 C   0  0
   -4.5229  -12.8446    0.0000 C   0  0
   -4.9884  -11.4187    0.0000 C   0  0
   -3.9863  -10.3026    0.0000 C   0  0
   -2.5186  -10.6124    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11  6  2  0
 11 12  1  0
 12 13  2  0
 13  4  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 22  1  0
 30 25  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12275

> <plate>
PLATE 017

> <well>
E5

> <supplier_cmpd_name>
Ziprasidone

> <ctcr_id>
4266

> <supplier_cmpd_id>
T0031L2

> <smiles>
[H+].[Cl-].Clc1cc2NC(=O)Cc2cc1CCN3CCN(CC3)c4nsc5ccccc45

> <pd_targets>
{DRD2,ADRA1A,ADRA1B,ADRA1D,H1-0,HTR2C,SLC6A4,HTR1A,HRH1,MAPT,DRD3,SCN10A,HTR2A,ADRB2,ADRA2C,ADRB1,GABRA1,CHRM3,KCNH2,CCK,CYSLTR1,OPRD1,HTR1D,CHRM1,NET,HTR7,DRD4,HTR1E,ADRA2A,OPRK1,TBXA2R,CHRM4,HTR1B,H
TR3A,CHRM2,SIGMAR1,HTR6,CACNA1C,CHRM5,ADRA2B,TGR,RORC,SLC6A3,OPRM1,ARRB1,CCKBR,TAC1,HTR2B,HTR3B,HTR3C,HTR3D,HTR3E,MTOR,DRD5,HTR5A}

> <pathway_gtopdb>
{"Membrane receptor","Other nuclear protein",Transporter,"Other cytosolic protein","Ion channel","Secreted protein",Enzyme,"Transcription factor","Unclassified protein","Family A G protein-coupled rec
eptor","Electrochemical transporter","Voltage-gated ion channel","Ligand-gated ion channel","Nuclear receptor",Kinase,"Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Vo
ltage-gated sodium channel","GABA-A receptor","Potassium channels","Peptide receptor (family A GPCR)","5HT3 receptor","Voltage-gated calcium channel","Nuclear hormone receptor subfamily 1","Protein Ki
nase","Monoamine receptor","SLC06 neurotransmitter transporter family","Voltage-gated potassium channel","Lipid-like ligand receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Nuclear 
hormone receptor subfamily 1 group F","Atypical protein kinase group","Dopamine receptor","Adrenergic receptor","Serotonin receptor","Histamine receptor","Acetylcholine receptor","Leukotriene receptor
","Opioid receptor","Prostanoid receptor","Nuclear hormone receptor subfamily 1 group F member 3","Cholecystokinin receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfami
ly"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels","Other protein targets",Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Voltage-gated ion channels","Ligand-gated ion channels","Sigm
a receptors","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Dopamine receptors","5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","Histamine receptors","Voltage-gated sod
ium channels",Adrenoceptors,"GABA<sub>A</sub> receptors","Acetylcholine receptors (muscarinic)","Potassium channels","Leukotriene receptors","Opioid receptors","Prostanoid receptors","5-HT<sub>3</sub>
 receptors","Voltage-gated calcium channels","1F. Retinoic acid-related orphans","Cholecystokinin receptors",Atypical,"Monoamine transporter subfamily","Voltage-gated potassium channels","Phosphatidyl
 inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Cellular responses to external stimuli","Neuronal System",Disease,"Developmental Biology","Muscle contraction","Gene expression (Transcription)","Signaling by GPCR","Cellular r
esponses to stress","Transmission across Chemical Synapses","Infectious disease","Nervous system development","Cardiac conduction","RNA Polymerase II Transcription","Disorders of transmembrane transpo
rters","Diseases of signal transduction by growth factor receptors and second messengers","GPCR ligand binding","Cellular Senescence","Neurotransmitter clearance","Neurotransmitter receptors and posts
ynaptic signal transmission","Leishmania infection","Axon guidance","Phase 3 - rapid repolarisation","Generic Transcription Pathway","SARS-CoV Infections","SLC transporter disorders","GPCR downstream 
signalling","Oncogenic MAPK signaling","Class A/1 (Rhodopsin-like receptors)","DNA Damage/Telomere Stress Induced Senescence","Serotonin clearance from the synaptic cleft","Activation of NMDA receptor
s and postsynaptic events","Leishmania parasite growth and survival","L1CAM interactions","GABA receptor activation","Transcriptional Regulation by MECP2","Potential therapeutics for SARS","NCAM signa
ling for neurite out-growth","Transcriptional regulation by RUNX3","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","G alpha (i) signalling events","Signaling by RAS mutants","G alpha
 (q) signalling events","Transcriptional Regulation by TP53","Amine ligand-binding receptors","Formation of Senescence-Associated Heterochromatin Foci (SAHF)","Post NMDA receptor activation events","A
nti-inflammatory response favouring Leishmania parasite infection","Interaction between L1 and Ankyrins","Peptide ligand-binding receptors","MECP2 regulates neuronal receptors and channels","Eicosanoi
d ligand-binding receptors","NCAM1 interactions","RUNX3 Regulates Immune Response and Cell Migration","Opioid Signalling","Signaling downstream of RAS mutants","Gastrin-CREB signalling pathway via PKC
 and MAPK","Regulation of TP53 Activity","Dopamine receptors","Serotonin receptors","Histamine receptors","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines produc
tion",Adrenoceptors,"Muscarinic acetylcholine receptors","LTC4-CYSLTR mediated IL4 production","Prostanoid ligand receptors","G-protein activation","Tachykinin receptors bind tachykinins","Regulation 
of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA2A,ADRA2B,ADRA2C,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD1,DRD2,DRD3,DRD4,DRD5,HRH1,HTR1A,HTR1B,HTR1D,HTR1E,HTR2A,HTR2C,HTR3A,HTR6,HTR7,SLC6A4}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{RESTW118,JAL53626GG,"Ziprasidone hydrochloride",122883-93-6,122883936,"Ziprasidone HCl",Geodon,Zeldox,"Ziprasidone (hydrochloride)",UNII-JAL53626GG,UNIIJAL53626GG,"CP 88059 (hydrochloride monohydrate
)","CP 88059","122883-93-6 (HCl)","122883936 (HCl)",C21H22Cl2N4OS,"Ziprasidone hydrochloride (US",T0031L,T0031L2,T0031,Prestw-1188,Ziprasidone,"Ziprasidone hydrochloride monohydrate","Ziprasidone  Hyd
rochloride"}

> <pdid>
PD010148

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{219099,67108352}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 C   0  0
    1.6261    6.5033    0.0000 O   0  0
   -0.7537    5.2860    0.0000 C   0  0
   -1.6387    6.4949    0.0000 C   0  0
   -3.1300    6.3335    0.0000 O   0  0
   -1.2149    3.8587    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12  5  1  0
  4 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16  2  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12276

> <plate>
PLATE 017

> <well>
E6

> <supplier_cmpd_name>
Telbivudine

> <ctcr_id>
4651

> <supplier_cmpd_id>
T1513

> <smiles>
CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O

> <pd_targets>
{HBCAG,P,TK1,TMK,UL23}

> <pathway_gtopdb>
{"Structural protein",Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G1 phase and G1/S transition","G1/S Transition","G1/S-Specific Transcription"}

> <broad_targets>
{}

> <broad_moa>
{"DNA polymerase inhibitor"}

> <synonyms>
{L-Thymidine,LThymidine,"1-(2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione","1(2deoxypentofuranosyl)5methylpyrimidine2,4(1H,3H)dione",3424-98-4,3424984,"1-(4-hydroxy-5-(hydroxymethyl)oxola
n-2-yl)-5-methylpyrimidine-2,4-dione","1(4hydroxy5(hydroxymethyl)oxolan2yl)5methylpyrimidine2,4dione",NSC21548,".beta.-D-Ribofuranoside, thymine-1 2-deoxy-",".beta.DRibofuranoside, thymine1 2deoxy",16
053-52-4,16053524,Thymidine,Methyl-d,Methyld,T1513,TWP2911,S1651,"NSC 21548",Telbivudine,DT}

> <pdid>
PD006189

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{1134}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
   12.1347   -0.9886    0.0000 H   0  3
    9.6347   -0.9886    0.0000 Cl  0  5
    2.5983   -3.0004    0.0000 O   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8975   -2.2510    0.0000 O   0  0
    3.8990   -0.7508    0.0000 N   0  0
    5.1522   -1.5883    0.0000 C   0  0
    6.5858   -1.1471    0.0000 C   0  0
    7.1347    0.2489    0.0000 C   0  0
    6.3855    1.5484    0.0000 N   0  0
    4.9024    1.7729    0.0000 C   0  0
    3.8022    0.7533    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  2  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
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  4 13  1  0
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 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 13  1  0
 22 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12277

> <plate>
PLATE 017

> <well>
E7

> <supplier_cmpd_name>
Fasudil hydrochloride

> <ctcr_id>
4951

> <supplier_cmpd_id>
T3060

> <smiles>
[H+].[Cl-].O=[S](=O)(N1CCCNCC1)c2cccc3cnccc23

> <pd_targets>
{ROCK2,ROCK1,HTT,PRKCD,CDK8,PRKACA,RPS6KA3,AURKB,PRKX,PRKCG,PRKCE,CYP3A4,CYP2D6,PRKCQ,PRKD2,MAP4K4,LRRK2,DAPK3,PRKG1,PRKACB,PRKACG,PKN2,LEF,MYLK,KCNH2,SGK2,CDK5,PRKD3,CLK4,CDK7,RPS6KB1,KMT2A,MEN1,AKT1
,SMN1,AKT3,PKN1,CHEK2,STK33,CCR2,RPS6KA5,CCL2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel","Epigenetic regulator","Membrane receptor",Kinase,"Cytochrome P450",Protease,"Voltage-gated ion channel",Reader,"Family A G protein-coupled receptor","Prot
ein Kinase","Cytochrome P450 family 3","Cytochrome P450 family 2","Metallo protease","Potassium channels",Bromodomain,"Methyl-lysine/arginine binding protein","Peptide receptor (family A GPCR)","AGC p
rotein kinase group","CMGC protein kinase group","Other protein kinase group","Cytochrome P450 family 3A","Cytochrome P450 family 2D","CAMK protein kinase group","STE protein kinase group","TKL protei
n kinase group","Metallo protease MAE clan","Voltage-gated potassium channel","Tudor domain","Chemokine receptor","AGC protein kinase DMPK family","AGC protein kinase PKC family","CMGC protein kinase 
CDK family","AGC protein kinase PKA family","AGC protein kinase RSK family","Other protein kinase AUR family","Cytochrome P450 3A4","Cytochrome P450 2D6","CAMK protein kinase PKD family","STE protein 
kinase STE20 family","TKL protein kinase LRRK family","CAMK protein kinase DAPK family","AGC protein kinase PKG family","AGC protein kinase PKN family","Metallo protease M34 family","CAMK protein kina
se MLCK family","AGC protein kinase SGK family","CMGC protein kinase CLK family","AGC protein kinase AKT family","CAMK protein kinase RAD53 family","CAMK protein kinase unique family","CC chemokine re
ceptor","AGC protein kinase ROCK subfamily","AGC protein kinase PKC delta subfamily","CMGC protein kinase CDK8 subfamily","AGC protein kinase RSK subfamily","AGC protein kinase PKC alpha subfamily","A
GC protein kinase PKC eta subfamily","STE protein kinase MSN subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDK7 subfamily","AGC protein kinase p70 subfamily","AGC protein kinase
 MSK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","Voltage-gated ion channels","G protein-coupled receptors","AGC: Containing PKA",PKG,"PKC families","CM
GC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CYP3 family","CYP2 family: drug metabolising subset","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Steri
le 7","Sterile 11","Sterile 20 kinases","Potassium channels","Chemokine receptors","DMPK family","Protein kinase C (PKC) family","Cyclin-dependent kinase (CDK) family","Protein kinase A (PKA) family",
"RSK family","Other protein kinases","Protein kinase D (PKD) family","STE20 family","TKL: Tyrosine kinase-like","Death-associated kinase (DAPK) family","Protein kinase G (PKG) family","Protein kinase 
N (PKN) family","Myosin Light Chain Kinase (MLCK) family","Voltage-gated potassium channels","SGK family","CLK family","Akt (Protein kinase B","PKB) family","CAMK-like (CAMKL) family","CAMK-unique fam
ily","Rho kinase","Delta subfamily","CDK8 subfamily","RSK subfamily","Aurora kinase (Aur) family","Alpha subfamily","Eta subfamily","MSN subfamily","Leucine-rich repeat kinase (LRRK) family","CDK5 sub
family","CDK7 subfamily","p70 subfamily","CHK1 subfamily","MSK subfamily"}

> <pathway_reactome>
{"Developmental Biology","Gene expression (Transcription)","Signal Transduction",Disease,"Cell Cycle","Immune System","Neuronal System",Metabolism,"Cellular responses to external stimuli","Programmed 
Cell Death",Hemostasis,"Muscle contraction","Transport of small molecules","Metabolism of RNA","Nervous system development","RNA Polymerase II Transcription","Intracellular signaling by second messeng
ers","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"Innate Immune System","Infectious disease","Transmission across Chemical Synapses","Metabolism of lipid
s","Biological oxidations","Signaling by GPCR","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases",Apoptosis,"Platelet homeostasis","Signaling by Rho GTPases","Cardiac conducti
on","Ion channel transport","MTOR signalling","Metabolism of non-coding RNA","Axon guidance","Generic Transcription Pathway","DAG and IP3 signaling","Signaling by NOTCH1 in Cancer","Mitotic G2-G2/M ph
ases","Toll-like Receptor Cascades","M Phase","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Fcgamma receptor (FCGR) dependent phagocytosis","Biosynthesis of
 specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","GPCR downstream signalling","Sphingolipid metabolism","Cellular Senescence","Signaling by PTK6","Caspase activat
ion via extrinsic apoptotic signalling pathway","Nitric oxide stimulates guanylate cyclase","RHO GTPase Effectors","Uptake and actions of bacterial toxins","Phase 3 - rapid repolarisation","Stimuli-se
nsing channels","HIV Infection","mTORC1-mediated signalling","snRNP Assembly","GPCR ligand binding","Semaphorin interactions","Transcriptional Regulation by MECP2","CaM pathway","Signaling by NOTCH1 H
D+PEST Domain Mutants in Cancer","G2/M Transition","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Glutamate binding","activation of A
MPA receptors and synaptic plasticity","Role of phospholipids in phagocytosis","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","G alpha (i) signalling events","Sphing
olipid de novo biosynthesis","Oxidative Stress Induced Senescence","PTK6 promotes HIF1A stabilization","Caspase activation via Dependence Receptors in the absence of ligand","cGMP effects","RHO GTPase
s activate PKNs","Uptake and function of anthrax toxins","RHO GTPases activate PAKs","Transcriptional Regulation by TP53","HIV Life Cycle","Class A/1 (Rhodopsin-like receptors)","Sema4D in semaphorin 
signaling","Regulation of MECP2 expression and activity","Calmodulin induced events","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Centrosome maturation","MyD88 cascade initiated on plasm
a membrane","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Trafficking of AMPA receptors","Biosynthesis of maresins",Xenobiotics,"Visual phototransduction","R
egulation of TP53 Activity","Late Phase of HIV Life Cycle","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Peptide ligand-binding receptors","Sema4D 
induced cell migration and growth-cone collapse","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","Separation of Sister Chromatids","ADOR
A2B mediated anti-inflammatory cytokines production","Trafficking of GluR2-containing AMPA receptors","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","The phototransduction cascade","Regulation
 of TP53 Activity through Phosphorylation","Transcription of the HIV genome","Regulation of TP53 Expression and Degradation","PKA-mediated phosphorylation of CREB","Chemokine receptors bind chemokines
","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases",Inactivation,"recovery and regulation of the phototransduction cascade","HIV Transcription Elongation","
Regulation of TP53 Degradation","PKA activation","CREB phosphorylation","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{PKIA,PRKACA,ROCK1,ROCK2}

> <broad_moa>
{"rho associated kinase inhibitor"}

> <synonyms>
{"ASUDIL (HA1077) HC","ASUDIL (HA 1077) HC","1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-,monohydrochloride","1H1,4Diazepine, hexahydro1(5isoquinolinylsulfonyl),monohydrochloride","1H 1","
4 Diazepine","hexahydro 1 (5 isoqui",541,S1573,"Fasudil hydrochloride","Fasudil (HA-1077) HCl"}

> <pdid>
PD001304

> <targets>
{Rho-kinases,ROCK,Autophagy}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{657249,163751}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 54 59  0  0  0  0            999 V2000
   13.9599   -4.0136    0.0000 C   0  0
   12.5708   -3.4477    0.0000 O   0  0
   11.3849   -4.3675    0.0000 C   0  0
   11.5889   -5.8536    0.0000 O   0  0
    9.9950   -3.8013    0.0000 N   0  0
    8.8090   -4.7211    0.0000 C   0  0
    9.0162   -6.2075    0.0000 C   0  0
   10.4060   -6.7719    0.0000 C   0  0
    7.8328   -7.1293    0.0000 C   0  0
    7.4191   -4.1548    0.0000 C   0  0
    7.2151   -2.6688    0.0000 O   0  0
    6.2352   -5.0730    0.0000 N   0  0
    6.2725   -6.5725    0.0000 C   0  0
    4.8578   -7.0713    0.0000 C   0  0
    3.9463   -5.8801    0.0000 C   0  0
    4.8092   -4.6676    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 C   0  0
   -6.6428    5.2250    0.0000 C   0  0
   -8.1110    5.5322    0.0000 N   0  0
   -8.8568    4.2308    0.0000 C   0  0
   -7.8496    3.1193    0.0000 N   0  0
  -10.3489    4.0692    0.0000 C   0  0
  -10.9652    2.7146    0.0000 C   0  0
  -12.4530    2.9061    0.0000 C   0  0
  -12.7307    4.3801    0.0000 C   0  0
  -11.4145    5.0997    0.0000 N   0  0
  -11.2137    6.5844    0.0000 C   0  0
   -9.8257    7.1530    0.0000 O   0  0
  -12.4005    7.5031    0.0000 C   0  0
  -12.1993    8.9904    0.0000 N   0  0
  -13.3861    9.9091    0.0000 C   0  0
  -14.7741    9.3405    0.0000 O   0  0
  -13.1848   11.3963    0.0000 O   0  0
  -14.3710   12.3145    0.0000 C   0  0
  -13.7905    6.9371    0.0000 C   0  0
  -14.9757    7.8566    0.0000 C   0  0
  -13.9947    5.4510    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  6 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 12  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 17  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 31 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 34  1  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 39  1  0
 43 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  2  0
 48 50  1  0
 50 51  1  0
 46 52  1  0
 52 53  1  0
 52 54  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12278

> <plate>
PLATE 017

> <well>
E8

> <supplier_cmpd_name>
Daclatasvir dihydrochloride

> <ctcr_id>
5747

> <supplier_cmpd_id>
T1786

> <smiles>
COC(=O)NC(C(C)C)C(=O)N1CCCC1c2ncc([nH]2)c3ccc(cc3)c4ccc(cc4)c5cnc([nH]5)C6CCCN6C(=O)C(NC(=O)OC)C(C)C

> <pd_targets>
{CYP2C9,NS5A,CYP3A4,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel","Cytochrome P450","Voltage-gated ion channel","Cytochrome P450 family 2","Cytochrome P450 family 3","Potassium channels","Cytochrome P450 family 2C","Cytoc
hrome P450 family 3A","Voltage-gated potassium channel","Cytochrome P450 2C9","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Ion channels","Cytochrome P450","Voltage-gated ion channels","CYP2 family: drug metabolising subset","CYP3 family","Potassium channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{Metabolism,"Muscle contraction","Biological oxidations","Metabolism of lipids","Cardiac conduction","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPM
s)","Phase 3 - rapid repolarisation","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs",Xenobiotics,"Biosynthesis of maresins","CYP2E1 reactions","Biosynthesis of maresi
n-like SPMs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ACLATASVIR (BMS790052","Daclatasvir Impurity 4",HCV-IN-24,HCVIN24,BMS-790052,BMS790052,"Daclatasvir (BMS-790052)","Daclatasvir (BMS790052)",1009107-27-0,1009107270,1214735-16-6,1214735166,HMS3654H14
,AKOS032960357,AC-30000,AC30000,DB-021083,DB021083,DB-058529,DB058529,FT-0771596,FT0771596,FT-0772670,FT0772670,J-004503,J004503,J-523213,J523213,1417333-83-5,1417333835,T1786,S1482,"Daclatasvir dihyd
rochloride"}

> <pdid>
PD011172

> <targets>
{"HCV Protease"}

> <classes>
{Proteases}

> <pubchem_cids>
{74349335}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    0.6137   -8.3668    0.0000 C   0  0
   -0.8500   -8.0388    0.0000 C   0  0
   -1.8656   -9.1428    0.0000 O   0  0
   -1.2977   -6.6063    0.0000 O   0  0
   -0.2816   -5.5018    0.0000 C   0  0
   -0.7292   -4.0692    0.0000 C   0  0
   -2.1929   -3.7413    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 15  1  0
 21 22  1  0
 21 23  1  0
 23 12  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26  8  1  0
 26 11  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12279

> <plate>
PLATE 017

> <well>
E9

> <supplier_cmpd_name>
Deoxycorticosterone acetate

> <ctcr_id>
5551

> <supplier_cmpd_id>
T3033

> <smiles>
CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C

> <pd_targets>
{LMNA,KMT2A,MEN1,MAPT,ALDH1A1,NR3C2}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator","Other cytosolic protein",Enzyme,"Transcription factor",Reader,Oxidoreductase,"Nuclear receptor",Bromodomain,"Nuclear hormone receptor subfamily 3","Nuc
lear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System",Metabolism,"Metabolism of proteins",Mitotic,"Transmission across Chemical Synapses","Biological oxidations","Post-translational protein modification","M Phase","Neurotr
ansmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds",SUMOylation,"Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events"
,"Ethanol oxidation","SUMO E3 ligases SUMOylate target proteins","Mitotic Anaphase","Post NMDA receptor activation events","SUMOylation of intracellular receptors","Nuclear Envelope (NE) Reassembly","
Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{NR3C2}

> <broad_moa>
{"progestogen hormone"}

> <synonyms>
{Percorten,Descotone,Syncort,DOXO,"11-Deoxycorticosterone, acetate","11Deoxycorticosterone, acetate",Decsterone,NSC-9567,NSC9567,"Percorten acetate","Corticosterone, acetate",Deoxycorticosteroneacetat
e,Oprea1_235801,Oprea1235801,Oprea1-235801,"Oprea1 235801",SCHEMBL1021137,"21-Hydroxyprogesterone, acetate","21Hydroxyprogesterone, acetate",NS,S4243,"Deoxycorticosterone acetate"}

> <pdid>
PD002048

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{3001}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 S   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -5.2096    5.9863    0.0000 C   0  0
   -5.2172    7.4863    0.0000 C   0  0
   -6.5200    8.2297    0.0000 C   0  0
   -7.8153    7.4732    0.0000 C   0  0
   -7.8077    5.9732    0.0000 C   0  0
   -6.5049    5.2298    0.0000 C   0  0
   -3.9214    8.2433    0.0000 C   0  0
   -2.5659    7.6313    0.0000 N   0  0
   -1.5696    8.7526    0.0000 N   0  0
   -2.3282   10.0467    0.0000 N   0  0
   -3.7933    9.7250    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  7  2  0
 13 14  1  0
 11 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 10 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 27 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12280

> <plate>
PLATE 017

> <well>
E10

> <supplier_cmpd_name>
Fimasartan

> <ctcr_id>
11148

> <supplier_cmpd_id>
T2322

> <smiles>
S=C(N(C)C)Cc1c(=O)n(c(nc1C)CCCC)Cc1ccc(cc1)c1c(cccc1)c1n[nH]nn1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{AGTR1}

> <broad_moa>
{"angiotensin receptor antagonist"}

> <synonyms>
{AKOS016011331,CCG-269705,CCG269705,CS-3509,CS3509,DB09279,FIMASARTAN,247257-48-3,247257483,"Fimasartan (INN)",UNII-P58222188P,UNIIP58222188P,CHEMBL1951143,Kanarb,P58222188P,BR-A657,BRA657,BR-A-657.K,
BRA657.K,PubChem24450,C27H31N7OS,SCHEMBL2229436,SCHEMBL20126833,DTXSID80179460,CHEBI:136044,BCP11616,EX,T2322,Fimasartan}

> <pdid>

> <targets>
{AGTR1,Angiotensin Receptor,Apoptosis}

> <classes>
{Endocrinology/Hormones,Apoptosis,GPCR/G Protein}

> <pubchem_cids>
{9870652}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 49  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 P   0  0
    2.5800    0.0305    0.0000 O   0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -1.2754    1.7497    0.0000 C   0  0
   -2.1531    0.2298    0.0000 C   0  0
    1.2643   -2.2302    0.0000 C   0  0
   -0.0520   -2.9495    0.0000 C   0  0
   -0.0872   -4.4491    0.0000 N   0  0
    1.1938   -5.2294    0.0000 C   0  0
    2.5101   -4.5101    0.0000 C   0  0
    2.5453   -3.0105    0.0000 C   0  0
    3.8623   -2.2909    0.0000 C   0  0
    3.9000   -0.7913    0.0000 C   0  0
    5.2174   -0.0741    0.0000 C   0  0
    5.2581    1.4262    0.0000 N   0  3
    6.5766    2.1415    0.0000 O   0  0
    4.4058    1.9492    0.0000 O   0  5
    6.4973   -0.8564    0.0000 C   0  0
    6.4597   -2.3559    0.0000 C   0  0
    5.1422   -3.0731    0.0000 C   0  0
    3.7935   -5.2882    0.0000 C   0  0
    3.7609   -6.7878    0.0000 O   0  0
    5.1095   -4.5666    0.0000 O   0  0
    6.3929   -5.3447    0.0000 C   0  0
    7.7089   -4.6232    0.0000 C   0  0
    8.9922   -5.4012    0.0000 N   0  0
   10.3082   -4.6797    0.0000 C   0  0
   11.5916   -5.4578    0.0000 C   0  0
   12.9079   -4.7385    0.0000 C   0  0
   14.1890   -5.5188    0.0000 C   0  0
   14.1538   -7.0184    0.0000 C   0  0
   12.8376   -7.7377    0.0000 C   0  0
   11.5565   -6.9574    0.0000 C   0  0
    8.9596   -6.9016    0.0000 C   0  0
   10.2410   -7.6816    0.0000 C   0  0
   10.2063   -9.1812    0.0000 C   0  0
    8.8903   -9.9010    0.0000 C   0  0
    7.6089   -9.1211    0.0000 C   0  0
    7.6436   -7.6216    0.0000 C   0  0
    1.1586   -6.7290    0.0000 C   0  0
   -1.3331   -2.1692    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  1  1  0
  5  8  1  0
  5  9  1  0
  1 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 18 22  2  0
 22 23  1  0
 23 24  2  0
 24 16  1  0
 14 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
 30 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 38  1  0
 13 44  1  0
 11 45  1  0
M  CHG  2  19   1  21  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12281

> <plate>
PLATE 017

> <well>
E11

> <supplier_cmpd_name>
Efonidipine

> <ctcr_id>
11149

> <supplier_cmpd_id>
T2323

> <smiles>
P1(=O)(OCC(CO1)(C)C)C1=C(NC(=C(C1c1cc([N+](=O)[O-])ccc1)C(=O)OCCN(Cc1ccccc1)c1ccccc1)C)C

> <pd_targets>
{ABCB1,CACNA1I,CACNA1G,CACNA1C}

> <pathway_gtopdb>
{Transporter,"Ion channel","Primary active transporter","Voltage-gated ion channel","ATP-binding cassette","Voltage-gated calcium channel","ABCB subfamily"}

> <pathway_chembl>
{Transporters,"Ion channels","ATP-binding cassette transporter family","Voltage-gated ion channels","ABCB subfamily","Voltage-gated calcium channels"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Abacavir transport and metabolism","Nervous system development","Abacavir transmembrane transport","Axon guidance","NCAM signaling for neurite out-growth","NCAM1 i
nteractions"}

> <broad_targets>
{}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{Efonidipine,111011-63-3,111011633,"Efonidipine (INN)",NCGC00182046-01,NCGC0018204601,NZ-105,NZ105,C34H38N3O7P,DSSTox_CID_23988,DSSToxCID23988,DSSTox-CID-23988,"DSSTox CID 23988",DSSTox_RID_80095,DSST
oxRID80095,DSSTox-RID-80095,"DSSTox RID 80095",DSSTox_GSID_43988,DSSToxGSID43988,DSSTox-GSID-43988,"DSSTox GSID 43988",SCHEMBL49637,CHEMBL2074922,DTXSID9043988,CHEBI:146221,HMS3886A09,ACT06293,BCP1477
2,EX-A3998,EXA3998,Tox21_113418,Tox21113418,Tox21-113418,"Tox21 113418",3603AH,T2323}

> <pdid>
PD008991

> <targets>
{"Calcium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{119171}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 43  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.5993    0.0004    0.0000 O   0  0
   20.6305    0.7163    0.0000 C   0  0
   19.1398    0.5495    0.0000 C   0  0
   18.5469    1.3548    0.0000 C   0  0
   18.5376   -0.8252    0.0000 C   0  0
   17.0461   -0.9920    0.0000 N   0  0
   16.1587    0.2184    0.0000 C   0  0
   16.7624    1.5924    0.0000 C   0  0
   17.7564    1.7015    0.0000 O   0  0
   15.8750    2.8028    0.0000 C   0  0
   14.3828    2.6421    0.0000 C   0  0
   13.4968    3.8535    0.0000 C   0  0
   14.0997    5.2270    0.0000 C   0  0
   13.2117    6.4360    0.0000 C   0  0
   11.7207    6.2714    0.0000 C   0  0
   11.1178    4.8979    0.0000 C   0  0
   12.0058    3.6890    0.0000 C   0  0
   16.4787    4.1769    0.0000 N   0  0
   15.5914    5.3873    0.0000 C   0  0
   14.5973    5.2782    0.0000 O   0  0
   16.1950    6.7613    0.0000 O   0  0
   15.3092    7.9697    0.0000 C   0  0
   13.8092    7.9601    0.0000 C   0  0
   13.3366    9.3837    0.0000 O   0  0
   14.5445   10.2731    0.0000 C   0  0
   14.9977   11.7009    0.0000 O   0  0
   16.4977   11.7104    0.0000 C   0  0
   16.9703   10.2868    0.0000 C   0  0
   15.7636    9.3992    0.0000 C   0  0
   16.4424   -2.3661    0.0000 S   0  0
   15.5550   -1.1568    0.0000 O   0  0
   14.9514   -2.5298    0.0000 O   0  0
   17.3298   -3.5765    0.0000 C   0  0
   18.8209   -3.4133    0.0000 C   0  0
   19.7078   -4.6230    0.0000 C   0  0
   19.1035   -5.9960    0.0000 C   0  0
   19.9904   -7.2057    0.0000 N   0  0
   17.6124   -6.1592    0.0000 C   0  0
   16.7256   -4.9494    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 12 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 24  1  0
 31 27  1  0
  8 32  1  0
 32 33  2  0
 32 34  2  0
 32 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 41 35  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12282

> <plate>
PLATE 017

> <well>
F2

> <supplier_cmpd_name>
Darunavir Ethanolate

> <ctcr_id>
1128

> <supplier_cmpd_id>
T3335

> <smiles>
CCO.CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC2COC3OCCC23)S(=O)(=O)c4ccc(N)cc4

> <pd_targets>
{PROTEASE,"HIV-1 PROTEASE",POL,ABCB1,KCNH2,KCND3,KCNE1,KCNQ1,SCN5A}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,"Ion channel",Protease,"Primary active transporter","Voltage-gated ion channel","Cysteine protease","Aspartic protease","ATP-binding cassette","Potassium cha
nnels","Voltage-gated sodium channel","Cysteine protease PAC clan","Aspartic protease AA clan","ABCB subfamily","Voltage-gated potassium channel","Cysteine protease C3A subfamily","Aspartic protease A
2A subfamily"}

> <pathway_chembl>
{Transporters,"Ion channels","ATP-binding cassette transporter family","Voltage-gated ion channels","ABCB subfamily","Potassium channels","Voltage-gated sodium channels","Voltage-gated potassium chann
els"}

> <pathway_reactome>
{Metabolism,"Muscle contraction","Developmental Biology","Abacavir transport and metabolism","Cardiac conduction","Nervous system development","Abacavir transmembrane transport","Phase 3 - rapid repol
arisation","Phase 1 - inactivation of fast Na+ channels","Axon guidance","L1CAM interactions","Interaction between L1 and Ankyrins"}

> <broad_targets>
{CYP3A4}

> <broad_moa>
{"HIV protease inhibitor"}

> <synonyms>
{"TMC114 (Ethanolate)",T3335,T2324,S1620,Darunavir Ethanolate,Darunavir,"Darunavir Ethanolate"}

> <pdid>
PD009930

> <targets>
{"HIV Protease"}

> <classes>
{Proteases}

> <pubchem_cids>
{74109114}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 34  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    5.1936    3.0093    0.0000 C   0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1894    6.0109    0.0000 C   0  0
    5.1872    7.5118    0.0000 C   0  0
    6.4854    8.2649    0.0000 C   0  0
    7.7858    7.5171    0.0000 C   0  0
    6.4833    9.7657    0.0000 C   0  0
    7.7815   10.5188    0.0000 C   0  0
    7.7793   12.0196    0.0000 C   0  0
    9.0775   12.7727    0.0000 C   0  0
   10.3779   12.0250    0.0000 C   0  0
    9.0754   14.2735    0.0000 C   0  0
   10.3736   15.0266    0.0000 C   0  0
   10.3714   16.5274    0.0000 C   0  0
   11.6696   17.2805    0.0000 C   0  0
   11.6675   18.7805    0.0000 C   0  0
   12.9700   16.5328    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
  3 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  3
 31 32  1  0
 31 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12283

> <plate>
PLATE 017

> <well>
F3

> <supplier_cmpd_name>
Menatetrenone

> <ctcr_id>
11150

> <supplier_cmpd_id>
T2336

> <smiles>
CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

> <pd_targets>
{FFP,MAPT,TGR,MAPK1,ALD,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Protease,Transferase,Kinase,"Cysteine protease","Protein Kinase","Cysteine protease CA clan","CMGC protein kinase group","Cysteine protease C1A family","CMGC protein 
kinase MAPK family","CMGC protein kinase ERK1","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor
 subfamily 1 group I member 2"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily",Receptors,"Nuclear hormone receptors","1I. Vitamin D r
eceptor-like receptors"}

> <pathway_reactome>
{"Neuronal System","Immune System","Transmission across Chemical Synapses","Innate Immune System","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor Cascades","Activ
ation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","Activation of AMPK downstrea
m of NMDARs","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated","Metabolism of proteins","Post-translational protein modification"
,SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of intracellular receptors"}

> <broad_targets>
{}

> <broad_moa>
{"bone resorption inhibitor"}

> <synonyms>
{6041-00-5,6041005,menatetrenone,"vitamin K2",Menaquinone-4,Menaquinone4,863-61-6,863616,"Menaquinone 4",Kefton-2,Kefton2,"Vitamin MK 4",Kaytwo,"Menaquinone K4",Menatetrenona,Menatetrenonum,11032-49-8
,11032498,"2-Methyl-3-trans-tetraprenyl-1,4-naphthoquinone","2Methyl3transtetraprenyl1,4naphthoquinone",MK-4,MK4,UNII-27Y876D139,UNII27Y876D139,2-Met,2Met,T2336,Menatetrenone}

> <pdid>
PD000198

> <targets>
{"VK2 analog"}

> <classes>
{Metabolism}

> <pubchem_cids>
{5282367}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 37  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2004    2.9933    0.0000 N   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 N   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -6.5025   -0.7576    0.0000 C   0  0
   -5.2048   -1.5099    0.0000 O   0  0
   -7.8033   -1.5062    0.0000 N   0  0
   -7.8064   -3.0070    0.0000 C   0  0
   -9.1072   -3.7555    0.0000 C   0  0
   -9.1125   -5.2556    0.0000 N   0  0
  -10.4142   -6.0011    0.0000 C   0  0
  -11.7106   -5.2466    0.0000 C   0  0
  -11.7054   -3.7466    0.0000 C   0  0
  -10.4038   -3.0011    0.0000 N   0  0
   -6.4996    5.2440    0.0000 N   0  0
   -7.7145    6.1019    0.0000 C   0  0
   -7.2532    7.5292    0.0000 C   0  0
   -5.7532    7.5316    0.0000 C   0  0
   -5.2874    6.1058    0.0000 C   0  0  1  0  0  0
   -3.8644    5.6372    0.0000 C   0  0
   -2.7450    6.6357    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 11 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 25  1  0
 29 30  1  1
 30 31  1  0
  6 32  1  0
 32 33  2  0
 33  3  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12284

> <plate>
PLATE 017

> <well>
F4

> <supplier_cmpd_name>
Avanafil

> <ctcr_id>
7292

> <supplier_cmpd_id>
T2334

> <smiles>
COc1ccc(CNc2nc(ncc2C(=O)NCc3ncccn3)N4CCC[C@H]4CO)cc1Cl

> <pd_targets>
{PDE5A}

> <pathway_gtopdb>
{Enzyme,Phosphodiesterase,"Phosphodiesterase 5","Phosphodiesterase 5A"}

> <pathway_chembl>
{Enzymes,"Cyclic nucleotide turnover/signalling",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{Hemostasis,"Platelet homeostasis","Nitric oxide stimulates guanylate cyclase","cGMP effects"}

> <broad_targets>
{PDE5A}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{ine-5-carboxamide,ine5carboxamide,Avanafil,330784-47-9,330784479,STENDRA,"TA 1790",TA-1790,TA1790,UNII-DR5S136IVO,UNIIDR5S136IVO,CHEBI:66876,DR5S136IVO,Spedra,"Stendra (TN)","Avanafil (USAN:INN)","Sp
edra (TN)","Avanafil (USAN/INN)",SCHEMBL118799,GTPL7448,CHEMBL1963681,AMY1794,DTXSID5018672,S4019}

> <pdid>
PD000128

> <targets>
{PDE}

> <classes>
{}

> <pubchem_cids>
{9869929}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 32  0  0  0  0            999 V2000
    4.0312   -5.2378    0.0000 S   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.2447   -3.1359    0.0000 N   0  0
    6.2484   -4.2507    0.0000 C   0  0
    5.4984   -5.5497    0.0000 C   0  0
    7.7388   -4.0972    0.0000 C   0  0
    8.3513   -2.7279    0.0000 O   0  0
    8.6192   -5.3126    0.0000 N   0  0
   10.1121   -5.1589    0.0000 C   0  0
   10.9925   -6.3743    0.0000 C   0  0
   12.4855   -6.2206    0.0000 N   0  0
   13.3659   -7.4360    0.0000 C   0  0
   14.8580   -7.2823    0.0000 C   0  0
   12.7533   -8.8053    0.0000 C   0  0
   13.0955   -4.8493    0.0000 C   0  0
   12.2142   -3.6355    0.0000 C   0  0
   14.5873   -4.6925    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0031    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
   24.8588   -2.9010    0.0000 O   0  0
   22.3588   -2.9010    0.0000 Cl  0  0
   19.8588   -2.9010    0.0000 O   0  0
   17.3588   -2.9010    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 11 15  1  0
 15 16  1  0
 15 17  1  0
  2 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 25 27  1  0
 27 28  1  0
 24 29  1  0
 29 30  1  0
 22 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12285

> <plate>
PLATE 017

> <well>
F5

> <supplier_cmpd_name>
Acotiamide hydrochloride

> <ctcr_id>
11151

> <supplier_cmpd_id>
T2319

> <smiles>
s1c(nc(c1)C(=O)NCCN(C(C)C)C(C)C)NC(=O)c1c(cc(c(c1)OC)OC)O.O.Cl.O.O

> <pd_targets>
{ACHE}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,"Acetylcholine turnover"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Phospholipid metabolism","Glycerophospholipid biosynthesis","Synthesis of PC"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{773092-05-0,773092050,"Acotiamide hydrochloride trihydrate","Acotiamide hydrochloride hydrate",YM-443,YM443,"Acotiamide HCl",UNII-NMW7447A9A,UNIINMW7447A9A,"773092-05-0 (HCl hydrate)","773092050 (HCl
 hydrate)",NMW7447A9A,"Acotiamide hydrochloride (USAN)",Z-338,Z338,"Acotiamide (monoh",T2319,"Acotiamide hydrochloride"}

> <pdid>
PD073713

> <targets>
{AChE}

> <classes>
{Neuroscience}

> <pubchem_cids>
{6918406}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
    5.7552    0.1365    0.0000 O   0  0
    3.2545   -3.2015    0.0000 C   0  0
    1.8050   -3.5876    0.0000 C   0  0
    1.4151   -5.0360    0.0000 O   0  0
    0.7500   -2.5287    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    2.6401    0.8578    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -0.7500   -2.5287    0.0000 C   0  0
   -1.8107   -3.5893    0.0000 O   0  0
   -2.6375    0.8602    0.0000 C   0  0
   -2.9472    2.3279    0.0000 O   0  0
   -3.7540   -0.1415    0.0000 O   0  0
   -0.0031    2.7742    0.0000 S   0  0
   -1.3040    3.5228    0.0000 C   0  0
   -1.4470    5.0031    0.0000 C   0  0
   -2.9153    5.3098    0.0000 N   0  0
   -3.6608    4.0082    0.0000 C   0  0
   -5.1499    3.8433    0.0000 C   0  0
   -5.7536    2.4692    0.0000 N   0  0
   -7.2453    2.3040    0.0000 S   0  0
   -7.8486    0.9307    0.0000 O   0  0
   -8.1333    3.5129    0.0000 O   0  0
   -8.7363    2.1396    0.0000 N   0  0
   -2.6532    2.8970    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11  6  1  0
 11 12  1  0
 12  5  1  0
 12 13  2  0
 10 14  1  0
 14 15  2  0
 14 16  1  0
  9 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 21 28  1  0
 28 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12286

> <plate>
PLATE 017

> <well>
F6

> <supplier_cmpd_name>
Doripenem Hydrate

> <ctcr_id>
5846

> <supplier_cmpd_id>
T1037

> <smiles>
O.CC(O)C1C2C(C)C(=C(N2C1=O)C(=O)O)SC3CNC(CNS(=O)(=O)N)C3

> <pd_targets>
{CACNA1C,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PBPB,PBP4}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Voltage-gated ion channel",Protease,"Voltage-gated calcium channel","Serine protease","Serine protease SE clan","Serine protease unclassified","Serine protease S11 family","Seri
ne protease S13 family"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Voltage-gated calcium channels"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","NCAM signaling for neurite out-growth","NCAM1 interactions"}

> <broad_targets>
{DPEP1}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{"Doripenem Hydrate/Doribax/S-4661/Finibax","Doripenem Hydrate/Doribax/S4661/Finibax",DB-011529,DB011529,FT-0658710,FT0658710,A823255,T1037,S1374,"Doripenem Hydrate"}

> <pdid>
PD006998

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{45371286}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
   11.6164    2.7035    0.0000 C   0  0
   11.1693    4.1353    0.0000 C   0  0
   12.1858    5.2384    0.0000 C   0  0
   11.7388    6.6702    0.0000 C   0  0
   10.2753    6.9990    0.0000 C   0  0
    9.2588    5.8959    0.0000 C   0  0
    9.7057    4.4640    0.0000 C   0  0
    8.6864    3.3624    0.0000 C   0  0
    9.1310    1.9298    0.0000 O   0  0
    7.2226    3.6934    0.0000 N   0  0
    6.2033    2.5918    0.0000 C   0  0
    4.7397    2.9206    0.0000 C   0  0
    3.7233    1.8175    0.0000 C   0  0
    4.1703    0.3856    0.0000 C   0  0
    5.6339    0.0569    0.0000 C   0  0
    6.0810   -1.3749    0.0000 C   0  0
    6.6503    1.1600    0.0000 C   0  0
    3.1510   -0.7161    0.0000 C   0  0
    3.5956   -2.1486    0.0000 O   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1476   -0.7184    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
   -1.5000   -5.4558    0.0000 Cl  0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
 14 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 31 32  2  0
 32 20  1  0
 32 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12287

> <plate>
PLATE 017

> <well>
F7

> <supplier_cmpd_name>
Tolvaptan

> <ctcr_id>
975

> <supplier_cmpd_id>
T2326

> <smiles>
Cc1ccccc1C(=O)Nc2ccc(c(C)c2)C(=O)N3CCCC(O)c4cc(Cl)ccc34

> <pd_targets>
{AVPR2,AVPR1A,ABCB11}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Family A G protein-coupled receptor","Primary active transporter","Peptide receptor (family A GPCR)","ATP-binding cassette","Short peptide receptor (family A GPCR)","
ABCB subfamily","Vasopressin and oxytocin receptor"}

> <pathway_chembl>
{Receptors,Transporters,"G protein-coupled receptors","ATP-binding cassette transporter family","Vasopressin and oxytocin receptors","ABCB subfamily"}

> <pathway_reactome>
{Disease,"Signal Transduction",Metabolism,"Infectious disease","Signaling by GPCR","Metabolism of lipids","Leishmania infection","GPCR ligand binding","Metabolism of steroids","Leishmania parasite gro
wth and survival","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Anti-inflammatory response favouring Leishmania parasite infection","Peptide ligand-binding receptors","S
ynthesis of bile acids and bile salts","ADORA2B mediated anti-inflammatory cytokines production","Vasopressin-like receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{AVPR1A,AVPR2}

> <broad_moa>
{"vasopressin receptor antagonist"}

> <synonyms>
{Tolvaptan,150683-30-0,150683300,Samsca,OPC-41061,OPC41061,"OPC 41061",Tolvaptan-d7,Tolvaptand7,"Tolvaptan (OPC-41061)","Tolvaptan (OPC41061)",CHEMBL344159,NCGC00183001-01,NCGC0018300101,C26H25ClN2O3,
"benzazepine derivative, 32","Tolvaptan (USAN:INN:BAN)","HSDB 8196",1246818-18-7,1246818187,DSSTox_CID_28706,DSSToxCID28706,DSSTox-CID-28706,"DSSTox CID 28706",DSSTox_RID_82975,DSSToxRID82975,DSSTox-R
ID-82975,"DSSTox RID 82975",T2326,S2593}

> <pdid>
PD009317

> <targets>
{"Estrogen/progestogen Receptor","Vasopressin Receptor"}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{216237}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8963    3.7531    0.0000 C   0  0
   -5.1967    3.0053    0.0000 O   0  0
   -3.8942    5.2531    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -2.6160   -7.4949    0.0000 Cl  0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0127   -6.0039    0.0000 F   0  0
    1.2982    3.7531    0.0000 C   0  0
    1.2960    5.2539    0.0000 C   0  0
    2.5935    6.0066    0.0000 O   0  0
    2.6008    3.0076    0.0000 C   0  0
    3.8975    3.7618    0.0000 C   0  0
    2.6060    1.5077    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
  9 11  2  0
  8 12  1  0
 12 13  2  0
 12 14  1  0
 14  5  2  0
 14 15  1  0
 15 16  2  0
 16  3  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 18  1  0
 24 25  1  0
  6 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12288

> <plate>
PLATE 017

> <well>
F8

> <supplier_cmpd_name>
Elvitegravir

> <ctcr_id>
6724

> <supplier_cmpd_id>
T2332

> <smiles>
COc1cc2N(C=C(C(O)=O)C(=O)c2cc1Cc3cccc(Cl)c3F)C(CO)C(C)C

> <pd_targets>
{POL,"REVERSE TRANSCRIPTASE"}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"HIV integrase inhibitor"}

> <synonyms>
{Elvitegravir-d6(major),Elvitegravird6(major),SCHEMBL726251,HMS3655N07,STR12017,AKOS026750431,AK173013,DB-014769,DB014769,FT-0667840,FT0667840,FT-0667841,FT0667841,T2332,S2001,Elvitegravir,"Elvitegrav
ir (GS-9137, JTK-303)"}

> <pdid>
PD009053

> <targets>
{Integrase}

> <classes>
{Microbiology}

> <pubchem_cids>
{23083982}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  1  0            999 V2000
   -2.6144    7.4986    0.0000 C   0  0
   -2.6101    5.9986    0.0000 C   0  0
   -1.3089    5.2523    0.0000 C   0  0
   -1.3046    3.7523    0.0000 C   0  0
   -2.6015    2.9986    0.0000 N   0  0
   -3.9027    3.7449    0.0000 C   0  0
   -3.9070    5.2449    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0  1  0  0  0
   -3.8990    0.7455    0.0000 C   0  0  1  0  0  0
   -3.8964   -0.7553    0.0000 C   0  0
   -5.1941   -1.5076    0.0000 C   0  0
   -5.1915   -3.0076    0.0000 C   0  0
   -3.8912   -3.7553    0.0000 C   0  0
   -2.5934   -3.0030    0.0000 C   0  0
   -2.5961   -1.5030    0.0000 C   0  0
   -1.2983   -0.7507    0.0000 F   0  0
   -3.8885   -5.2553    0.0000 F   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8525    1.3572    0.0000 C   0  0
   -8.8524    0.2390    0.0000 N   0  0
   -8.0978   -1.0574    0.0000 C   0  0
   -6.6317   -0.7404    0.0000 N   0  0
   -2.5988   -0.0025    0.0000 O   0  0
   -1.3005    0.7492    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 13 17  1  0
  9 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 19  1  0
  9 24  1  6
  8 25  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12289

> <plate>
PLATE 017

> <well>
F9

> <supplier_cmpd_name>
Efinaconazole

> <ctcr_id>
11152

> <supplier_cmpd_id>
T2333

> <smiles>
C=C1CCN(CC1)[C@@H]([C@@](c1ccc(cc1F)F)(Cn1cncn1)O)C

> <pd_targets>
{}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{CYP51A1}

> <broad_moa>
{"lanosterol demethylase inhibitor"}

> <synonyms>
{EFINACONAZOLE,164650-44-6,164650446,KP-103,KP103,JUBLIA,UNII-J82SB7FXWB,UNIIJ82SB7FXWB,J82SB7FXWB,CHEBI:82718,164905-19-5,164905195,"Kp 103","Efinaconazole (USAN:INN)",efinaconazol,efinaconazolum,IDP
-108,IDP108,"Clenafin (TN)","Jublia (TN)",Efinaconazole(KP-103),Efinaconazole(KP103),"Efinaconazole; KP-1","Efinaconazole; KP1",T2333,Efinaconazole}

> <pdid>
PD009395

> <targets>
{Antifungal}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{489181}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -6.4995    5.2440    0.0000 N   0  0
   -7.7117    6.1057    0.0000 C   0  0
   -7.2460    7.5316    0.0000 C   0  0
   -5.7460    7.5292    0.0000 N   0  0
   -5.2847    6.1019    0.0000 C   0  0
   -8.1258    8.7465    0.0000 C   0  0
   -9.0982    0.7427    0.0000 C   0  0
   -9.0991   -0.7573    0.0000 F   0  0
  -10.3970    1.4931    0.0000 F   0  0
  -10.3976   -0.0067    0.0000 F   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 N   0  0
    3.8863    5.2585    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    1.2883    5.2495    0.0000 C   0  0
    1.2934    3.7495    0.0000 N   0  0
   -0.0140    5.9954    0.0000 C   0  0
   -0.0217    7.4954    0.0000 N   0  0
   -1.3245    8.2388    0.0000 C   0  0
   -2.6197    7.4823    0.0000 C   0  0
   -2.6122    5.9823    0.0000 N   0  0
   -1.3094    5.2389    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 17  1  0
 19 22  1  0
 13 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
  3 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12290

> <plate>
PLATE 017

> <well>
F10

> <supplier_cmpd_name>
Radotinib

> <ctcr_id>
11153

> <supplier_cmpd_id>
T2328

> <smiles>
Cc1c(cc(cc1)C(=O)Nc1cc(cc(c1)n1cc(nc1)C)C(F)(F)F)Nc1nccc(n1)c1nccnc1

> <pd_targets>
{ABL1,PDGFRB}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 
receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Infectious disease","Intracellular signaling by second messengers","Leishmania infection","PIP3 activates AKT signaling","Parasite infection","Negative regulation of th
e PI3K/AKT network","Leishmania phagocytosis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{}

> <broad_moa>
{"Bcr-Abl kinase inhibitor"}

> <synonyms>
{Radotinib,926037-48-1,926037481,supect,IY-5511,IY5511,Radotinib(IY-5511),Radotinib(IY5511),UNII-I284LJY110,UNIII284LJY110,I284LJY110,"926037-48-1 (free base)","926037481 (free base)",IY5511HCl,"Radot
inib (INN)","Radotinib (IY-5511)","Radotinib (IY5511)","Radotinib; IY-5511;","Radotinib; IY5511;",GTPL7814,SCHEMBL3359952,CHEMBL4297524,DTXSID90239069,AOB8,T2328}

> <pdid>
PD046857

> <targets>
{Bcr-Abl,Bcr-Abl1}

> <classes>
{Angiogenesis,"Cytoskeletal Signaling"}

> <pubchem_cids>
{16063245}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  1  0            999 V2000
    8.9899   -3.3789    0.0000 Na  0  3
    6.4893   -5.2669    0.0000 F   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  5
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -5.1962   -1.5000    0.0000 O   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -5.1962    3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    3.8756   -9.7579    0.0000 F   0  0
    5.1824   -7.5124    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 17 16  1  6
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 22 23  1  0
 23 14  1  0
 23 24  2  0
 21 25  1  1
 15 26  1  0
 26  9  2  0
  4 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31  3  1  0
M  CHG  2   1   1  13  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12291

> <plate>
PLATE 017

> <well>
F11

> <supplier_cmpd_name>
Dolutegravir sodium

> <ctcr_id>
11154

> <supplier_cmpd_id>
T2329

> <smiles>
[Na+].Fc1c(CNC(=O)c2c(=O)c([O-])c3n(C[C@@H]4OCC[C@H](N4C3=O)C)c2)ccc(F)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"DOLUTEGRAVIR SODIUM",1051375-19-9,1051375199,Tivicay,"GSK 1349572A",UNII-1Q1V9V5WYQ,UNII1Q1V9V5WYQ,"Dolutegravir (sodium)","GSK1349572 sodiuM salt",CHEBI:76007,GSK1349572A,1Q1V9V5WYQ,"Tivicay (TN)",
"Dolutegravir sodium (USAN)",GSK-1349572A,"Dolutegravir Sodi",T2329,"Dolutegravir sodium"}

> <pdid>

> <targets>
{"HIV integrase"}

> <classes>
{Microbiology&Virology,Proteases/Proteasome}

> <pubchem_cids>
{46216142}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -1.3101    6.7502    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3092   -5.2494    0.0000 C   0  0
    2.6108   -5.9949    0.0000 C   0  0
    3.9073   -5.2404    0.0000 N   0  0
    3.9021   -3.7404    0.0000 C   0  0
    5.1977   -2.9829    0.0000 N   0  0
    5.1903   -1.4820    0.0000 C   0  0
    6.4841   -0.7230    0.0000 C   0  0
    6.4738    0.7770    0.0000 C   0  0
    5.1696    1.5180    0.0000 C   0  0
    3.8757    0.7590    0.0000 C   0  0
    3.8861   -0.7410    0.0000 C   0  0
    5.1592    3.0188    0.0000 C   0  0
    5.1488    4.5187    0.0000 N   0  0
    2.6004   -2.9949    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  3  0
  4  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12  2  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  3  0
 18 28  2  0
 28 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12292

> <plate>
PLATE 017

> <well>
G2

> <supplier_cmpd_name>
Rilpivirine

> <ctcr_id>
7355

> <supplier_cmpd_id>
T2330

> <smiles>
Cc1cc(\C=C\C#N)cc(C)c1Nc2ccnc(Nc3ccc(cc3)C#N)n2

> <pd_targets>
{"REVERSE TRANSCRIPTASE",CYP2C19,CYP2D6,CYP2C9,CYP1A2,KCNH2,GAG-POL,CYP3A4,POL,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein","Transcription factor","Cytochrome P450","Voltage-gated ion channel",Transferase,Hydrolase,"Nuclear receptor","Cytochrome P450 family 2","Cytochrome P450 f
amily 1","Potassium channels","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Voltage-gated potas
sium channel","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 2C19","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochrome P450 1A1","Cytochrome P450 3A4",
"Nuclear hormone receptor subfamily 1 group I member 2"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Cytochrome P450","Voltage-gated ion channels","Nuclear hormone receptors","CYP2 family: drug metabolising subset","CYP1 family","Potassium channels","CYP3 family","1
I. Vitamin D receptor-like receptors","Voltage-gated potassium channels"}

> <pathway_reactome>
{Metabolism,"Muscle contraction",Disease,"Metabolism of proteins","Biological oxidations","Cardiac conduction","Infectious disease","Metabolism of lipids","Post-translational protein modification","Ph
ase I - Functionalization of compounds","Phase 3 - rapid repolarisation","HIV Infection","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"Cytochrome P450 - arranged by substrat
e type","HIV Life Cycle","Biosynthesis of DHA-derived SPMs","SUMO E3 ligases SUMOylate target proteins",Xenobiotics,"Early Phase of HIV Life Cycle","Biosynthesis of maresins","SUMOylation of intracell
ular receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Integration of provirus","Biosynthesis of maresin-like SPMs","2-LTR circle formation"}

> <broad_targets>
{NR1I2,SCN10A}

> <broad_moa>
{"non-nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{Rilpivirine,500287-72-9,500287729,TMC278,Edurant,"TMC 278",TMC-278,R278474,UNII-FI96A8X663,UNIIFI96A8X663,"Rilpivirine free base","R 278474",CHEBI:68606,FI96A8X663,Rilpivirine-d6,Rilpivirined6,"50028
7-72-9 (free base)","500287729 (free base)","Rilpivirine (USAN:INN)",R-278474,"HSDB 8153",Edurant(TM),T27,cc-93,cc93,S7303}

> <pdid>
PD004299

> <targets>
{"Reverse Transcriptase"}

> <classes>
{}

> <pubchem_cids>
{6451164}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.0362    9.1792    0.0000 C   0  0
    2.1364    7.6825    0.0000 N   0  0
    0.8902    6.8462    0.0000 C   0  0
   -0.4563    7.5073    0.0000 O   0  0
    0.9904    5.3487    0.0000 C   0  0
    2.3380    4.6899    0.0000 C   0  0
    2.4412    3.1934    0.0000 C   0  0
    1.2001    2.3589    0.0000 C   0  0
   -0.1507    3.0146    0.0000 C   0  0
   -0.2539    4.5110    0.0000 C   0  0
   -1.6015    5.1698    0.0000 F   0  0
    1.2045    0.8582    0.0000 N   0  0
    0.0000    0.0000    0.0000 C   0  0
   -1.4225    0.4760    0.0000 S   0  0
    0.4517   -1.4303    0.0000 N   0  0
    1.9573   -1.4303    0.0000 C   0  0
    2.8382   -2.6444    0.0000 O   0  0
    2.4240    0.0000    0.0000 C   0  0
    3.1015    1.3400    0.0000 C   0  0
    4.4565    0.6474    0.0000 C   0  0
    3.7640   -0.6775    0.0000 C   0  0
   -0.4355   -2.6408    0.0000 C   0  0
    0.0590   -4.0515    0.0000 C   0  0
   -0.9195   -5.1884    0.0000 N   0  0
   -2.3934   -4.9094    0.0000 C   0  0
   -3.3724   -6.0469    0.0000 C   0  0
   -4.3509   -7.1837    0.0000 N   0  0
   -2.8887   -3.4935    0.0000 C   0  0
   -1.9101   -2.3566    0.0000 C   0  0
   -4.3633   -3.2144    0.0000 C   0  0
   -5.3425   -4.3506    0.0000 F   0  0
   -4.8581   -1.7983    0.0000 F   0  0
   -5.8370   -2.9347    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 12  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 18  1  0
 15 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  3  0
 25 28  1  0
 28 29  2  0
 29 22  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12293

> <plate>
PLATE 017

> <well>
G3

> <supplier_cmpd_name>
Apalutamide

> <ctcr_id>
5730

> <supplier_cmpd_id>
T2339

> <smiles>
CNC(=O)c1ccc(cc1F)N2C(=S)N(C(=O)C23CCC3)c4cnc(C#N)c(c4)C(F)(F)F

> <pd_targets>
{AR,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ}

> <pathway_gtopdb>
{"Transcription factor","Ion channel","Nuclear receptor","Ligand-gated ion channel","Nuclear hormone receptor subfamily 3","GABA-A receptor","Nuclear hormone receptor subfamily 3 group C","Nuclear hor
mone receptor subfamily 3 group C member 4"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX2","RUNX2 regulates bone development","RUNX2 regulates osteoblas
t differentiation"}

> <broad_targets>
{}

> <broad_moa>
{"androgen receptor antagonist"}

> <synonyms>
{ARN-509,ARN509,"ARN 509",apalutamide,956104-40-8,956104408,"956104 40 8",Erleada,JNJ-56021927,JNJ56021927,"JNJ 56021927","Apalutamide (ARN-509)","Apalutamide (ARN509)","Apalutamide (ARN 509)",UNII-4T
36H88UA7,UNII4T36H88UA7,"UNII 4T36H88UA7",4T36H88UA7,"956104-40-8 (free base)","956104408 (free base)","956104 40 8 (free base)","Apalutamide (INN)",AR509,ApalutamideARN509,"Erleada (TN)",Tube705,"Apa
lutamide (JAN/IN",T2339,S2840,Apalutamide}

> <pdid>
PD010552

> <targets>
{Androgen Receptor,Adrenergic Receptor}

> <classes>
{Endocrinology & Hormones,Others}

> <pubchem_cids>
{24872560}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 O   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11  5  2  0
 11 12  1  0
 12 13  2  0
 13  3  1  0
 13 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12294

> <plate>
PLATE 017

> <well>
G4

> <supplier_cmpd_name>
Scopoletin

> <ctcr_id>
1099

> <supplier_cmpd_id>
T2984

> <smiles>
COc1cc2C=CC(=O)Oc2cc1O

> <pd_targets>
{HSD17B10,HIF1A,HPGD,CA7,AKR1B1,CASP7,LEF,CA1,CA12,KDM4E,GLA,CASP1,CA9,ALDH1A1,GAA,IMPA1,CA13,ERAP1,RECQL,GFER,KMT2A,MEN1,CYP1A2,ACHE,ALOX15}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator",Oxidoreductase,Lyase,Protease,Eraser,Hydrolase,Reader,"Cytochrome P450","Cysteine protease","Metallo protease","Lysine demethylase",Bromodomain,"C
ytochrome P450 family 1","Cysteine protease CD clan","Metallo protease MAE clan","Jumonji domain-containing","Cysteine protease CA clan","Cytochrome P450 family 1A","Cysteine protease C14 family","Met
allo protease M34 family","Cysteine protease C1A family","Metallo protease M1 family","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Carbonic anhydrases","1.-.-.- Oxidoreductases","Peptidases and proteinases","Chromatin modifying enzymes","3.2.1.- Glycosidases","Inositol phosphate turnover","Cytochro
me P450","Acetylcholine turnover","Prostaglandin synthases","CD: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","Inositol monophosphatase","MA: Metallo (M) Peptidases","CYP1 family",Lipoxyg
enases,"C14: Caspase","M1: Aminopeptidase N"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Programmed Cell Death",Disease,"Immune System","Gene expression (Transcription)","Protein localization","Metabolism of amino acids and derivatives
","Cellular responses to stress","Metabolism of lipids","Reversible hydration of carbon dioxide",Apoptosis,"Infectious disease","Cytokine Signaling in Immune system","RNA Polymerase II Transcription",
"Biological oxidations","Diseases of metabolism","Inositol phosphate metabolism","Adaptive Immune System","Mitochondrial protein import","Branched-chain amino acid catabolism","Cellular response to hy
poxia","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Intrinsic Pathway for Apoptosis","Uptake and actions of bacterial toxins","Signaling by Interleukins","Sphi
ngolipid metabolism","Generic Transcription Pathway","Phase I - Functionalization of compounds","Diseases of carbohydrate metabolism","Synthesis of IP2",IP,"and Ins in the cytosol","Class I MHC mediat
ed antigen processing & presentation","Phospholipid metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Metabolism of steroid hor
mones","Apoptotic factor-mediated response","Uptake and function of anthrax toxins","Interleukin-12 family signaling","Glycosphingolipid metabolism","Transcriptional Regulation by TP53","Regulation of
 gene expression by Hypoxia-inducible Factor","Ethanol oxidation","Glycogen storage diseases","Antigen Presentation: Folding","assembly and peptide loading of class I MHC","Cytochrome P450 - arranged 
by substrate type","Glycerophospholipid biosynthesis","Biosynthesis of DPA-derived SPMs","Biosynthesis of D-series resolvins","Pregnenolone biosynthesis","Cytochrome c-mediated apoptotic response","In
terleukin-12 signaling","TP53 Regulates Transcription of Cell Death Genes","Glycogen storage disease type II (GAA)",Xenobiotics,"Synthesis of PC","Biosynthesis of DPAn-3 SPMs","Activation of caspases 
through apoptosome-mediated cleavage","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","TP53 Regulates Transcription of Caspase Activators and Caspases","Aromatic a
mines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{92-61-5,92615,"Gelseminic acid",7-Hydroxy-6-methoxy-2H-chromen-2-one,7Hydroxy6methoxy2Hchromen2one,6-Methylesculetin,6Methylesculetin,"Chrysatropic acid",7-Hydroxy-6-methoxycoumarin,7Hydroxy6methoxyc
oumarin,Murrayetin,Scopoletine,Scopoletol,Escopoletin,"2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-","2H1Benzopyran2one, 7hydroxy6methoxy",6-O-Methyles,6OMethyles,T2984,1502242,Scopoletin,SCOPOLETIN}

> <pdid>
PD001341

> <targets>
{"Immunology & Inflammation related"}

> <classes>
{anticoagulant,"NO synthesis (inducible) inhibitor"}

> <pubchem_cids>
{5280460}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -7.7942    1.4999    0.0000 C   0  0
   -7.7943    2.9999    0.0000 C   0  0
   -9.0956    3.7477    0.0000 O   0  0
  -10.3935    2.9958    0.0000 C   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -6.4983    5.2508    0.0000 O   0  0
   -7.7984    5.9989    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 13 12  1  6
 13  8  1  0
 13 14  1  0
 14  5  2  0
 14 15  1  0
 15 16  2  0
 16  3  1  0
 16 17  1  0
 17 18  1  0
 11 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  2  0
 24 10  1  0
 24 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12295

> <plate>
PLATE 017

> <well>
G5

> <supplier_cmpd_name>
Tetrahydropalmatine hydrochloride

> <ctcr_id>
7214

> <supplier_cmpd_id>
T2917

> <smiles>
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC

> <pd_targets>
{TSHR,LMNA,LEF,SIGMAR1,CYP3A4,F3,DRD3,DRD2,DRD5}

> <pathway_gtopdb>
{"Membrane receptor","Other nuclear protein",Enzyme,"Family A G protein-coupled receptor",Protease,"Cytochrome P450","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 3","S
mall molecule receptor (family A GPCR)","Glycohormone receptor","Metallo protease MAE clan","Cytochrome P450 family 3A","Monoamine receptor","Metallo protease M34 family","Cytochrome P450 3A4","Dopami
ne receptor"}

> <pathway_chembl>
{Receptors,"Other protein targets",Enzymes,"G protein-coupled receptors","Sigma receptors","Cytochrome P450","Glycoprotein hormone receptors","CYP3 family","Dopamine receptors"}

> <pathway_reactome>
{Disease,"Cell Cycle",Metabolism,"Signal Transduction","Infectious disease",Mitotic,"Metabolism of lipids","Signaling by Receptor Tyrosine Kinases","Signaling by GPCR","Leishmania infection","M Phase"
,"Uptake and actions of bacterial toxins","SARS-CoV Infections","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by NTRKs","GPCR ligand binding","Leishmania parasite growth and s
urvival","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","Potential therapeutics for SARS","Biosynthesis of DHA-derived SPMs","Signaling by NTRK1 (TRKA)","Class A/1 (Rhodopsin
-like receptors)","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Biosynthesis of maresins","Nuclear Events (kinase and transcription factor activation)","Amin
e ligand-binding receptors","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","NGF-stimulated transcription","Dopamine re
ceptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{DRD1,DRD2,DRD3,HTR1A}

> <broad_moa>
{"serotonin receptor agonist"}

> <synonyms>
{tetrahydropalmatine,Rotundine,l-Tetrahydropalmatine,lTetrahydropalmatine,483-14-7,483147,(-)-Tetrahydropalmatine,()Tetrahydropalmatine,(S)-Tetrahydropalmatine,(S)Tetrahydropalmatine,Gindarine,Hyndari
ne,Caseanine,(S)-(-)-tetrahydropalmatine,(S)()tetrahydropalmatine,UNII-3X69CO5I79,UNII3X69CO5I79,CHEBI:16563,3X69CO5I79,2,3,9,10-tetramethoxy-13aalpha-berbine,10tetramethoxy13aalphaberbine,T2917,T2714
,T2793,S2437,"Tetrahydropalmatine hydrochloride",Tetrahydropalmatine}

> <pdid>
PD001244

> <targets>
{Dopamine Receptor,Apoptosis}

> <classes>
{Neuronal Signaling,Apoptosis,GPCR/G Protein}

> <pubchem_cids>
{72301}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 75 82  0  0  1  0            999 V2000
   -1.6949   -9.1744    0.0000 C   0  0  2  0  0  0
   -3.1646   -8.8742    0.0000 C   0  0  2  0  0  0
   -3.6395   -7.4514    0.0000 C   0  0  1  0  0  0
   -2.6447   -6.3287    0.0000 C   0  0  2  0  0  0
   -1.1749   -6.6288    0.0000 C   0  0  1  0  0  0
   -0.7001   -8.0518    0.0000 O   0  0
   -0.1818   -5.5036    0.0000 O   0  0
    1.2895   -5.8001    0.0000 C   0  0
    0.2963   -6.9242    0.0000 C   0  0
    1.7650   -7.2236    0.0000 C   0  0
    0.7707   -8.3478    0.0000 C   0  0
    1.2462   -9.7713    0.0000 C   0  0
    0.2519  -10.8955    0.0000 C   0  0
    0.7272  -12.3182    0.0000 C   0  0
   -0.7280  -10.6960    0.0000 C   0  0
    2.2809   -4.6766    0.0000 C   0  0  1  0  0  0
    1.9492   -3.2138    0.0000 C   0  0
    3.2380   -2.4463    0.0000 C   0  0
    4.3508   -3.4433    0.0000 C   0  0  1  0  0  0
    5.8392   -3.2568    0.0000 C   0  0  2  0  0  0
    6.4219   -1.8746    0.0000 C   0  0
    7.9102   -1.6882    0.0000 C   0  0
    8.8159   -2.8839    0.0000 C   0  0  1  0  0  0
   10.3043   -2.6974    0.0000 C   0  0
   11.2099   -3.8932    0.0000 C   0  0  2  0  0  0
   10.6272   -5.2754    0.0000 C   0  0
    9.1388   -5.4618    0.0000 C   0  0
    8.2332   -4.2661    0.0000 C   0  0  2  0  0  0
    6.7448   -4.4525    0.0000 C   0  0  1  0  0  0
    6.1621   -5.8347    0.0000 C   0  0
    4.6737   -6.0212    0.0000 C   0  0  2  0  0  0
    3.7681   -4.8255    0.0000 C   0  0  2  0  0  0
    4.0910   -7.4034    0.0000 O   0  0
    7.6505   -5.6483    0.0000 C   0  0
   12.6987   -3.7036    0.0000 O   0  0
   13.2798   -2.3198    0.0000 C   0  0  1  0  0  0
   14.7675   -2.1281    0.0000 C   0  0  1  0  0  0
   15.3455   -0.7439    0.0000 C   0  0  2  0  0  0
   14.4357    0.4487    0.0000 C   0  0  1  0  0  0
   12.9480    0.2571    0.0000 C   0  0  2  0  0  0
   12.3700   -1.1271    0.0000 O   0  0
   12.0401    1.4522    0.0000 C   0  0
   12.6200    2.8356    0.0000 O   0  0
   15.0136    1.8329    0.0000 O   0  0
   16.8332   -0.5523    0.0000 O   0  0
   15.6754   -3.3232    0.0000 O   0  0
   15.0952   -4.7074    0.0000 C   0  0  1  0  0  0
   16.0009   -5.9031    0.0000 C   0  0  1  0  0  0
   15.4182   -7.2854    0.0000 C   0  0  2  0  0  0
   13.9298   -7.4719    0.0000 C   0  0  1  0  0  0
   13.0242   -6.2762    0.0000 C   0  0  2  0  0  0
   13.6068   -4.8939    0.0000 O   0  0
   11.5353   -6.4658    0.0000 C   0  0
   10.9547   -7.8489    0.0000 O   0  0
   13.3472   -8.8541    0.0000 O   0  0
   16.3239   -8.4811    0.0000 O   0  0
   17.4892   -5.7167    0.0000 O   0  0
    9.3706   -1.5234    0.0000 C   0  0
   11.7966   -2.5460    0.0000 C   0  0
    5.2354   -2.4597    0.0000 C   0  0
    4.6491   -2.4888    0.0000 C   0  0
   -2.9613   -5.3802    0.0000 O   0  0
   -4.6192   -7.2513    0.0000 O   0  0
   -4.1594   -9.9969    0.0000 O   0  0
   -1.2227  -10.5990    0.0000 C   0  0
   -2.2197  -11.7209    0.0000 O   0  0
   -1.7475  -13.1455    0.0000 C   0  0  2  0  0  0
   -0.3242  -13.5769    0.0000 O   0  0
   -0.3122  -15.0769    0.0000 C   0  0  2  0  0  0
   -1.7351  -15.5518    0.0000 C   0  0  1  0  0  0
   -2.6264  -14.3453    0.0000 C   0  0  1  0  0  0
   -4.1264  -14.3483    0.0000 O   0  0
   -2.1873  -16.9820    0.0000 O   0  0
    0.9086  -15.9454    0.0000 C   0  0
    2.2732  -15.3224    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  6
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 13 15  1  0
 16  8  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 23 22  1  1
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 28 29  1  0
 29 20  1  0
 29 30  1  1
 30 31  1  0
 32 31  1  6
 32 16  1  0
 32 19  1  0
 31 33  1  1
 28 34  1  1
 25 35  1  1
 36 35  1  6
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 36  1  0
 40 42  1  6
 42 43  1  0
 39 44  1  1
 38 45  1  6
 37 46  1  1
 47 46  1  1
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 47  1  0
 51 53  1  1
 53 54  1  0
 50 55  1  6
 49 56  1  1
 48 57  1  6
 24 58  1  0
 24 59  1  0
 20 60  1  1
 19 61  1  6
  4 62  1  1
  3 63  1  6
  2 64  1  1
  1 65  1  6
 65 66  1  0
 67 66  1  6
 67 68  1  0
 68 69  1  0
 69 70  1  0
 70 71  1  0
 71 67  1  0
 71 72  1  1
 70 73  1  6
 69 74  1  1
 74 75  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12296

> <plate>
PLATE 017

> <well>
G6

> <supplier_cmpd_name>
Ginsenoside Rc

> <ctcr_id>
11155

> <supplier_cmpd_id>
T2720

> <smiles>
[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)OC(C)(CCC=C(C)C)[C@H]1CC[C@]2([C@@]3(CC[C@H]4C([C@H](CC[C@@]4([C@H]3C[C@H]([C@H]12)O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O
1)CO)O)O)O)(C)C)C)C)O)O)O)CO[C@@H]1O[C@H]([C@@H]([C@H]1O)O)CO

> <pd_targets>
{PRKAA2,PRKAB1,PRKAG1,SLCO1B3}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Electrochemical transporter","Protein Kinase","SLC superfamily of solute carriers","CAMK protein kinase group","SLC21/SLCO family of organic anion transporting polypeptides
","CAMK protein kinase CAMK1 family","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLCO family of organic anion transporting polypeptides"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of steroids","Bile acid and bile salt metabolism","Recycling of bile acids and salts"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T2720,"Ginsenoside Rc"}

> <pdid>
PD012060

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{132399057}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 O   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11  5  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  3  1  0
 14 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12297

> <plate>
PLATE 017

> <well>
G7

> <supplier_cmpd_name>
Fraxetin

> <ctcr_id>
2405

> <supplier_cmpd_id>
T2909

> <smiles>
COc1cc2C=CC(=O)Oc2c(O)c1O

> <pd_targets>
{FFP,KDM4E,CA1,HPGD,CA12,CA7,HSD17B10,CA9,IMPA1,ALOX15,ALD,ALDH1A1,CASP1,MAPT,CA13,CASP7,SMN1,MAPK1,LEF,CYP2C9,CA2,CYP2C19,KMT2A,MEN1,TDP1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein",Transferase,Eraser,Lyase,Oxidoreductase,Hydrolase,Protease,Reader,Kinase,"Cytochrome P450","Lysine demethylase","Cysteine protease","Methyl-lys
ine/arginine binding protein","Protein Kinase","Metallo protease","Cytochrome P450 family 2",Bromodomain,"Jumonji domain-containing","Cysteine protease CD clan","Tudor domain","CMGC protein kinase gro
up","Metallo protease MAE clan","Cytochrome P450 family 2C","Cysteine protease C14 family","CMGC protein kinase MAPK family","Metallo protease M34 family","Cytochrome P450 2C9","Cytochrome P450 2C19",
"CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Carbonic anhydrases","Eicosanoid turnover","Inositol phosphate turnover","Peptidases and proteinases","Kinases (EC 2.7.x.x)","Cytochrome P450","1.14.11.- Histon
e demethylases","Prostaglandin synthases","Inositol monophosphatase",Lipoxygenases,"CD: Cysteine (C) Peptidases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP2 family: drug metabolising subset"
,"C14: Caspase","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Immune System",Metabolism,"Cellular responses to external stimuli","Gene expression (Transcription)","Neuronal System","Programmed Cell Death","Metabolism of RNA",Disease,"Transport of small molecul
es","DNA Repair","Cytokine Signaling in Immune system","Metabolism of lipids","Reversible hydration of carbon dioxide","Metabolism of amino acids and derivatives","Cellular responses to stress","Inosi
tol phosphate metabolism","Biological oxidations","RNA Polymerase II Transcription","Transmission across Chemical Synapses",Apoptosis,"Metabolism of non-coding RNA","Innate Immune System","Infectious 
disease","O2/CO2 exchange in erythrocytes","DNA Double-Strand Break Repair","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolis
m","Cellular response to hypoxia","Synthesis of IP2",IP,"and Ins in the cytosol","Phase I - Functionalization of compounds","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic
 signal transmission","Intrinsic Pathway for Apoptosis","snRNP Assembly","Toll-like Receptor Cascades","Uptake and actions of bacterial toxins","Erythrocytes take up carbon dioxide and release oxygen"
,"Nonhomologous End-Joining (NHEJ)","Interleukin-12 family signaling","Biosynthesis of DHA-derived SPMs","Regulation of gene expression by Hypoxia-inducible Factor","Biosynthesis of DPA-derived SPMs",
"Ethanol oxidation","Transcriptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events","Apoptotic factor-mediated response","Toll Like Receptor 5 (TLR5) Cascade","Uptake and f
unction of anthrax toxins","Cytochrome P450 - arranged by substrate type","Interleukin-12 signaling","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of
 Cell Death Genes","Post NMDA receptor activation events","Cytochrome c-mediated apoptotic response","MyD88 cascade initiated on plasma membrane",Xenobiotics,"Gene and protein expression by JAK-STAT s
ignaling after Interleukin-12 stimulation","Biosynthesis of DPAn-3-derived protectins and resolvins","TP53 Regulates Transcription of Caspase Activators and Caspases","Activation of AMPK downstream of
 NMDARs","Activation of caspases through apoptosome-mediated cleavage","MAP kinase activation","CYP2E1 reactions","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are in
activated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{s9503,STL564671,"Coumarin, 7,8-dihydroxy-6-methoxy-","Coumarin, 7,8dihydroxy6methoxy",AKOS000277991,Fraxetin,574-84-5,574845,"7,8-Dihydroxy-6-methoxycoumarin","7,8Dihydroxy6methoxycoumarin","7,8-Dihy
droxy-6-methoxy-2H-chromen-2-one","7,8Dihydroxy6methoxy2Hchromen2one","7,8-dihydroxy-6-methoxychromen-2-one","7,8dihydroxy6methoxychromen2one",2H-1-Benzopyran-2-one,2H1Benzopyran2one,7,8-dihydroxy-6-m
etho,8dihydroxy6metho,T2909,1504069,FRAXETIN}

> <pdid>
PD056320

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5273569}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11  5  1  0
 11 12  2  0
 12  2  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12298

> <plate>
PLATE 017

> <well>
G8

> <supplier_cmpd_name>
Daphnetin

> <ctcr_id>
4751

> <supplier_cmpd_id>
T2851

> <smiles>
Oc1ccc2C=CC(=O)Oc2c1O

> <pd_targets>
{SMN1,THRB,ALOX15,THPO,POLB,PYK,KDM4E,MAPT,CYP3A4,CYP1A2,EGFR,PMP22,APEX1,LUXP,ALD,LMNA,HSD17B10,ALDH1A1,HPGD,TDP1,CHRM1,NPSR1}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,"Unclassified protein","Other cytosolic protein","Other nuclear protein","Membrane receptor",Reader,"Nuclear receptor",Oxidoreductase,Transferase,
Eraser,"Cytochrome P450",Kinase,Hydrolase,"Family A G protein-coupled receptor","Methyl-lysine/arginine binding protein","Nuclear hormone receptor subfamily 1","Lysine demethylase","Cytochrome P450 fa
mily 3","Cytochrome P450 family 1","Protein Kinase","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Tudor domain","Nuclear hormone receptor subfamily 1 group A","Jumonji 
domain-containing","Cytochrome P450 family 3A","Cytochrome P450 family 1A","TK protein kinase group","Monoamine receptor","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1
 group A member 2","Cytochrome P450 3A4","Cytochrome P450 1A1","Tyrosine protein kinase EGFR family","Acetylcholine receptor","Neuropeptide receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Eicosanoid turnover","Chromatin modifying enzymes","Cytochrome P450","Catalytic receptors","G protein-coupled receptors","1A. Thyroid hormone receptors"
,Lipoxygenases,"1.14.11.- Histone demethylases","CYP3 family","CYP1 family","Receptor kinases","Prostaglandin synthases","Acetylcholine receptors (muscarinic)","Neuropeptide S receptor","TK: Tyrosine 
kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Metabolism of RNA","Metabolism of proteins",Metabolism,Hemostasis,"DNA Repair","Neuronal System","Signal Transduction","Developmental Biology","Cell Cycle",Disease,"Metabolism of non-coding RNA","Po
st-translational protein modification","Metabolism of lipids","Platelet activation","signaling and aggregation","Base Excision Repair","Transmission across Chemical Synapses","Biological oxidations","
Signaling by GPCR","Nervous system development",Mitotic,"Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Infectious disease","snRNP Assembly",SUMOylation,"Biosynthesis of 
specialized proresolving mediators (SPMs)","Platelet Aggregation (Plug Formation)","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - 
Functionalization of compounds","GPCR downstream signalling","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Branched-chain amino acid catabolism","Nonhomologous End-Joinin
g (NHEJ)","GPCR ligand binding","Leishmania infection","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DPA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacem
ent pathway","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","G alpha (q) signalling events","Mitotic Metaphase
 and Anaphase","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","SUMOylation of intracellular receptors","Biosynthesis of DPAn-3 SPMs","PCNA-Depende
nt Long Patch Base Excision Repair","Post NMDA receptor activation events","Biosynthesis of maresins",Xenobiotics,"Gastrin-CREB signalling pathway via PKC and MAPK","Mitotic Anaphase","Biosynthesis of
 D-series resolvins","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3-derived protectins and resolvins","Activation of AMPK
 downstream of NMDARs","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","EGFR Transactivation by Gastrin","Nuclear Envelope (NE) Reassembly","Musc
arinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{"7,8-Dihydroxycoumarin","7,8Dihydroxycoumarin",486-35-1,486351,Daphnetol,"7,8-Dihydroxy-2H-chromen-2-one","7,8Dihydroxy2Hchromen2one","7,8-Dihydroxy-2H-1-benzopyran-2-one","7,8Dihydroxy2H1benzopyran2
one","7,8-dihydroxychromen-2-one","7,8dihydroxychromen2one","2H-1-Benzopyran-2-one, 7,8-dihydroxy-","2H1Benzopyran2one, 7,8dihydroxy","7,8-DIHYDROXY-2H-BENZOPYRAN-2-ONE","7,8DIHYDROXY2HBENZOPYRAN2ONE"
,UNII-XC84571RD2,UNIIXC84571RD2,T2851,1504141,Daphnetin,DAPHNETIN}

> <pdid>
PD001265

> <targets>
{EGFR,PKA,PKC,Autophagy,Parasite}

> <classes>
{antimalarial,PK inhibitor,Anti-infection,Autophagy,Epigenetics,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{5280569}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 36  0  0  1  0            999 V2000
   -1.3109   -5.2364    0.0000 O   0  0
   -0.0156   -5.9928    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
    1.2935   -3.7495    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    6.4923    3.7567    0.0000 O   0  0
    3.8943    3.7525    0.0000 C   0  0
    3.8919    5.2525    0.0000 O   0  0
    2.5964    3.0004    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0  2  0  0  0
    5.1932   -3.0130    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0  1  0  0  0
    5.1828   -6.0130    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0  1  0  0  0
    2.5796   -7.5040    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
 17 18  1  0
 18  7  1  0
 18 19  2  0
  8 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
 27 20  1  0
  5 28  1  0
 28 29  1  6
 28 30  1  0
 30 31  1  1
 30 32  1  0
 32  3  1  0
 32 33  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12299

> <plate>
PLATE 017

> <well>
G9

> <supplier_cmpd_name>
Hyperoside

> <ctcr_id>
2361

> <supplier_cmpd_id>
T2844

> <smiles>
OC[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@H]1O

> <pd_targets>
{KDM1A,XDH,KDM4E,CA4,CA12,MAPT,TGR,EPHX2,AKR1B1,GAA,ALPI,CA7,POLB,ALPL,CA2,AURKB,LMNA,ALD,GLA,CDK5,CDK5R1,REP,MAPK1,MPI,DYRK1A,P4HB,NA,NANH,FASN}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other cytosolic protein",Eraser,Oxidoreductase,Lyase,Protease,Hydrolase,Phosphatase,Kinase,"Lysine demethylase","Serine protease","Protein Kinase","Lysine-specific deme
thylase","Jumonji domain-containing","Serine protease SC clan","Other protein kinase group","Serine protease S33 family","Other protein kinase AUR family","Other nuclear protein","CMGC protein kinase 
group","CMGC protein kinase CDK family","CMGC protein kinase MAPK family","CMGC protein kinase CDC2 subfamily","CMGC protein kinase ERK1",Isomerase,"CMGC protein kinase DYRK family","CMGC protein kina
se Dyrk1 subfamily",Transferase}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","1.-.-.- Oxidoreductases","Carbonic anhydrases",Hydrolases,"3.2.1.- Glycosidases","Catalytic receptors","1.14.11.- Histone demethylases","Receptor kina
ses","Other protein kinases","Aurora kinase (Aur) family","Other protein targets","Anti-infective targets","Kinases (EC 2.7.x.x)","Viral protein targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families
","Coronavirus (CoV) proteins","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Dyrk1 subfamily","2.3.1
.-  Acyltransferases"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Transport of small molecules","Neuronal System",Disease,"DNA Repair","Metabolism of proteins","Cell Cycle","Intracellular signaling by second messengers","Metabolism
 of nucleotides","O2/CO2 exchange in erythrocytes","Reversible hydration of carbon dioxide","Transmission across Chemical Synapses","Metabolism of lipids","Diseases of metabolism","Base Excision Repai
r","Post-translational protein modification",Mitotic,"PIP3 activates AKT signaling","Nucleobase catabolism","Erythrocytes take up carbon dioxide and release oxygen","Neurotransmitter receptors and pos
tsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Diseases of carbohydrate metabolism","Phospholipid metabolism","Resolution of Abasi
c Sites (AP sites)","Post-translational modification: synthesis of GPI-anchored proteins","M Phase","PTEN Regulation","Purine catabolism","Activation of NMDA receptors and postsynaptic events","Biosyn
thesis of DHA-derived SPMs","Metabolism of steroid hormones","Glycogen storage diseases","Glycerophospholipid biosynthesis","Resolution of AP sites via the multiple-nucleotide patch replacement pathwa
y","Mitotic Metaphase and Anaphase","Regulation of PTEN gene transcription","Post NMDA receptor activation events","Biosynthesis of maresins","Pregnenolone biosynthesis","Glycogen storage disease type
 II (GAA)","Synthesis of PA","PCNA-Dependent Long Patch Base Excision Repair","Mitotic Anaphase","Activation of AMPK downstream of NMDARs","Separation of Sister Chromatids","Immune System","Infectious
 disease","Innate Immune System","Sphingolipid metabolism","SARS-CoV Infections","Toll-like Receptor Cascades","Glycosphingolipid metabolism","SARS-CoV-1 Infection","Toll Like Receptor 5 (TLR5) Cascad
e","SARS-CoV-1 Genome Replication and Transcription","MyD88 cascade initiated on plasma membrane","Nuclear Envelope (NE) Reassembly","Replication of the SARS-CoV-1 genome","MAP kinase activation","Ini
tiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated","Cytokine Signaling in Immune system","Asparagine N-linke
d glycosylation","Mitotic G1 phase and G1/S transition","Signaling by Interleukins","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosaccharide","LLO) and transfer to a nascent prot
ein","G0 and Early G1","Interleukin-12 family signaling","Synthesis of substrates in N-glycan biosythesis","Interleukin-12 signaling","Synthesis of GDP-mannose","Regulation of cholesterol biosynthesis
 by SREBP (SREBF)","Activation of gene expression by SREBF (SREBP)"}

> <broad_targets>
{}

> <broad_moa>
{antioxidant}

> <synonyms>
{Hyperoside,482-36-0,482360,Hyperin,Hyperosid,"Quercetin 3-galactoside","Quercetin 3galactoside",Hyperozide,Quercetin-3-O-galactoside,Quercetin3Ogalactoside,Quercetin-3-galactoside,Quercetin3galactosi
de,Hyperasid,Jyperin,"Quercetin 3-O-beta-D-galactopyranoside","Quercetin 3ObetaDgalactopyranoside","Quercetin 3-D-galactoside","Quercetin 3Dgalactoside",UNII-8O1CR18L82,UNII8O1CR18L82,"Quercetin 3-bet
","Quercetin 3bet",T2844,T5S0754,T4902,SAM001246776,Isoquercitrin,ISOQUERCITRIN,CPD000466394}

> <pdid>
PD002964

> <targets>
{Fungal,Influenza Virus}

> <classes>
{Anti-infection}

> <pubchem_cids>
{5281643}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -5.1953    1.5031    0.0000 O   0  0
   -5.1932    3.0039    0.0000 C   0  0  1  0  0  0
   -6.4896    3.7585    0.0000 C   0  0  1  0  0  0
   -6.4844    5.2585    0.0000 C   0  0  2  0  0  0
   -5.1828    6.0040    0.0000 C   0  0  1  0  0  0
   -3.8864    5.2495    0.0000 C   0  0  2  0  0  0
   -3.8916    3.7495    0.0000 O   0  0
   -2.5856    5.9981    0.0000 C   0  0
   -2.5825    7.4981    0.0000 O   0  0
   -5.1776    7.5040    0.0000 O   0  0
   -7.7809    6.0129    0.0000 O   0  0
   -7.7913    3.0130    0.0000 O   0  0
    6.4924   -3.7566    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 10  1  0
 16 18  1  0
 19 18  1  1
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 23 25  1  1
 25 26  1  0
 22 27  1  6
 21 28  1  1
 20 29  1  6
  3 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12300

> <plate>
PLATE 017

> <well>
G10

> <supplier_cmpd_name>
Daidzin

> <ctcr_id>
11156

> <supplier_cmpd_id>
T2901

> <smiles>
c1cc(ccc1c1coc2c(c1=O)ccc(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

> <pd_targets>
{ALDH2,RAB9A,SMN1,ALDH1B1,ALDH1A2,IL2,NPC1,STX1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Secreted protein",Transporter,"Unclassified protein",Oxidoreductase,Hydrolase,Reader,"Methyl-lysine/arginine binding protein","Tudor domain"}

> <pathway_chembl>
{Enzymes,Transporters,"1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","SLC65 NPC-type cholesterol transporters"}

> <pathway_reactome>
{"Neuronal System","Signal Transduction","Metabolism of RNA",Metabolism,"Gene expression (Transcription)","Transport of small molecules","Transmission across Chemical Synapses","Signaling by Rho GTPas
es","Metabolism of non-coding RNA","Biological oxidations","Signaling by Nuclear Receptors","RNA Polymerase II Transcription","Plasma lipoprotein assembly",remodeling,"and clearance","Neurotransmitter
 clearance","Rho GTPase cycle","snRNP Assembly","Phase I - Functionalization of compounds","Signaling by Retinoic Acid","Generic Transcription Pathway","Plasma lipoprotein clearance","Serotonin cleara
nce from the synaptic cleft","RHOBTB GTPase Cycle","Ethanol oxidation","RA biosynthesis pathway","Transcriptional regulation by RUNX1","LDL clearance","Metabolism of serotonin","RHOBTB3 ATPase cycle",
"RUNX1 and FOXP3 control the development of regulatory T lymphocytes (Tregs)"}

> <broad_targets>
{ALDH2}

> <broad_moa>
{antioxidant}

> <synonyms>
{Daidzin,552-66-9,552669,Daidzoside,"Daidzein 7-O-glucoside","Daidzein 7Oglucoside","Daidzein 7-glucoside","Daidzein 7glucoside",daidzein-7-o-glucoside,daidzein7oglucoside,"daidzein 7-O-beta-D-glucosi
de","daidzein 7ObetaDglucoside",UNII-4R2X91A5M5,UNII4R2X91A5M5,7-(beta-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,7(betaDGlucopyranosyloxy)3(4hydroxyphenyl)4H1benzopyran4one,CHEBI:
42202,Daidzein-7-glucos,Daidzein7glucos,T2901}

> <pdid>
PD008540

> <targets>
{ALDH-¢ñ,ALDH-¢ò,Mitochondrial Metabolism,Reverse Transcriptase}

> <classes>
{Metabolism,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{107971}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 16  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.6105   -5.2165    0.0000 C   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -3.7124   -4.0030    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  1  0
  9 13  1  0
 13 14  2  0
 14  1  1  0
 14  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12301

> <plate>
PLATE 017

> <well>
G11

> <supplier_cmpd_name>
Psoralen

> <ctcr_id>
11157

> <supplier_cmpd_id>
T2942

> <smiles>
c1cc(=O)oc2cc3c(cco3)cc12

> <pd_targets>
{CYP2C19,CYP2A6,ACHE,NFKB1,CYP2C9,MAOA,KDM4E,LEF,CYP3A4,HSD17B10,CYP2D6}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Cytochrome P450",Hydrolase,Oxidoreductase,Eraser,Protease,"Cytochrome P450 family 2","Lysine demethylase","Metallo protease","Cytochrome P450 
family 3","Cytochrome P450 family 2C","Cytochrome P450 family 2A","Jumonji domain-containing","Metallo protease MAE clan","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 2C19"
,"Cytochrome P450 2A6","Cytochrome P450 2C9","Metallo protease M34 family","Cytochrome P450 3A4","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Acetylcholine turnover","Catecholamine turnover","Chromatin modifying enzymes","CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Immune System",Disease,"Biological oxidations","Metabolism of lipids","Cytokine Signaling in Immune system","Infectious disease","Metabolism of amino acids and derivatives","Phase I - Fun
ctionalization of compounds","Phospholipid metabolism","Signaling by Interleukins","Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain 
amino acid catabolism","Cytochrome P450 - arranged by substrate type","Glycerophospholipid biosynthesis","Interleukin-1 family signaling","Amine Oxidase reactions","Uptake and function of anthrax toxi
ns","Biosynthesis of DHA-derived SPMs",Xenobiotics,"Synthesis of PC","Interleukin-1 signaling","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Biosynthesis of maresins","CY
P2E1 reactions","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{MAOA,MAOB}

> <broad_moa>
{}

> <synonyms>
{Psoralen,66-97-7,66977,Ficusin,"7H-Furo(3,2-g)chromen-7-one","7HFuro(3,2g)chromen7one",Furocoumarin,Psoralene,"7H-Furo(3,2-g)(1)benzopyran-7-one","7HFuro(3,2g)(1)benzopyran7one",Psorline-P,PsorlineP,
"furo(3,2-g)chromen-7-one","furo(3,2g)chromen7one","6,7-Furanocoumarin","6,7Furanocoumarin","Furo(3,2-g)coumarin","Furo(3,2g)coumarin","Furo(2',3',7,6)coumarin","Furo(3,2-g)-coumarin",F,T2942}

> <pdid>
PD012057

> <targets>
{DNA/RNA Synthesis,Apoptosis,HIV,Influenza Virus}

> <classes>
{DNA Damage/DNA Repair,Anti-infection,Apoptosis}

> <pubchem_cids>
{6199}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 63 63  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -10.4029    2.9841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -14.2989    0.7273    0.0000 C   0  0
  -15.6002    1.4750    0.0000 C   0  0
  -15.6028    2.9750    0.0000 C   0  0
  -16.8989    0.7228    0.0000 C   0  0
  -18.2002    1.4705    0.0000 C   0  0
  -19.4989    0.7182    0.0000 C   0  0
  -20.8002    1.4660    0.0000 C   0  0
  -22.0974    0.7129    0.0000 C   0  0
  -20.8042    2.9668    0.0000 C   0  0
  -22.1055    3.7145    0.0000 C   0  0
  -22.1096    5.2153    0.0000 C   0  0
  -23.4109    5.9631    0.0000 C   0  0
  -24.7081    5.2100    0.0000 C   0  0
  -23.4149    7.4639    0.0000 C   0  0
  -24.7162    8.2116    0.0000 C   0  0
  -24.7203    9.7124    0.0000 C   0  0
  -26.0216   10.4602    0.0000 C   0  0
  -27.3188    9.7071    0.0000 C   0  0
  -26.0256   11.9610    0.0000 C   0  0
  -27.3269   12.7087    0.0000 C   0  0
  -27.3310   14.2095    0.0000 C   0  0
  -28.6322   14.9573    0.0000 C   0  0
  -29.9295   14.2042    0.0000 C   0  0
  -28.6363   16.4581    0.0000 C   0  0
  -29.9376   17.2058    0.0000 C   0  0
  -29.9416   18.7066    0.0000 C   0  0
  -31.2429   19.4544    0.0000 C   0  0
  -32.5402   18.7013    0.0000 C   0  0
  -31.2470   20.9552    0.0000 C   0  0
  -32.5483   21.7029    0.0000 C   0  0
  -32.5523   23.2037    0.0000 C   0  0
  -33.8536   23.9514    0.0000 C   0  0
  -35.1509   23.1984    0.0000 C   0  0
  -33.8577   25.4523    0.0000 C   0  0
  -35.1590   26.2000    0.0000 C   0  0
  -35.1630   27.7008    0.0000 C   0  0
  -36.4643   28.4485    0.0000 C   0  0
  -36.4684   29.9485    0.0000 C   0  0
  -37.7616   27.6955    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12  3  1  0
 12 13  2  0
  9 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 51 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  2  0
 56 57  1  0
 56 58  1  0
 58 59  1  0
 59 60  1  0
 60 61  2  3
 61 62  1  0
 61 63  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12302

> <plate>
PLATE 017

> <well>
H2

> <supplier_cmpd_name>
Coenzyme Q10

> <ctcr_id>
2859

> <supplier_cmpd_id>
T2796

> <smiles>
COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(C)\CC\C=C(C)\CC\C=C(C)\CC\C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CCC=C(C)C

> <pd_targets>
{LMNA,NDUFV3,SDHA}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,Oxidoreductase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Mitotic,"The citric acid (TCA) cycle and respiratory electron transport","M Phase","Respiratory electron transport","ATP synthesis by chemiosmotic coupling","and heat producti
on by uncoupling proteins.","Pyruvate metabolism and Citric Acid (TCA) cycle","Mitotic Metaphase and Anaphase","Citric acid cycle (TCA cycle)","Mitotic Anaphase","Complex I biogenesis","Nuclear Envelo
pe (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{UBIDECARENEONE,Spectrum5_000338,Spectrum5000338,Spectrum5-000338,"Spectrum5 000338",BSPBio_002745,BSPBio002745,BSPBio-002745,"BSPBio 002745",CCG-39039,CCG39039,SDCCGMLS-0066808.P001,SDCCGMLS0066808.P
001,NCGC00095322-01,NCGC0009532201,NCGC00095322-02,NCGC0009532202,SR-05000002787,SR05000002787,SR-05000002787-1,SR050000027871,T2796,1504013,"Coenzyme Q10"}

> <pdid>
PD000769

> <targets>
{Endogenous Metabolite,Ferroptosis,Reactive Oxygen Species}

> <classes>
{cardiovascular agent,Apoptosis,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{6857782}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 18  0  0  1  0            999 V2000
   -3.0602   -2.9402    0.0000 C   0  0  1  0  0  0
   -3.0602   -1.5801    0.0000 C   0  0  2  0  0  0
   -1.8601   -0.8600    0.0000 C   0  0  2  0  0  0
   -0.7000   -1.5801    0.0000 C   0  0  2  0  0  0
   -0.7000   -2.9402    0.0000 C   0  0
   -1.8601   -3.6202    0.0000 C   0  0
    0.6108   -0.8509    0.0000 C   0  0
   -2.3401   -2.1401    0.0000 C   0  0
   -5.3803   -2.9402    0.0000 C   0  0  2  0  0  0
   -4.2202   -3.6202    0.0000 C   0  0
   -2.9043   -4.3401    0.0000 C   0  0
   -5.5361   -4.3402    0.0000 C   0  0
   -5.3803   -1.5801    0.0000 C   0  0
   -4.2202   -0.8600    0.0000 C   0  0
   -3.0489   -0.0801    0.0000 C   0  0
   -1.7667   -2.1806    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  1
  3  8  1  1
  9  8  1  1
  9 10  1  0
 10  1  1  0
 10 11  1  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 14  2  1  0
  2 15  1  6
  1 16  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12303

> <plate>
PLATE 017

> <well>
H3

> <supplier_cmpd_name>
Patchouli alcohol

> <ctcr_id>
11158

> <supplier_cmpd_id>
T2916

> <smiles>
[C@@]12([C@@]3([C@H]([C@H](CC1)C)C[C@H](C2(C)C)CC3)C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Patchouli alcohol",Patchoulol,5986-55-0,5986550,"patchouli camphor",patchoulanol,"(-)-patchouli alcohol","()patchouli alcohol",UNII-HHH8CPR1M2,UNIIHHH8CPR1M2,"Patchoulic alcohol",(-)-patchoulol,()pa
tchoulol,HHH8CPR1M2,Patchouli-alcohol,Patchoulialcohol,(1R,3R,6S,7S,8S)-2,8S)2,2,6,8-tetramethyltricyclo(5.3.1.03,8tetramethyltricyclo(5.3.1.03,8,T2916}

> <pdid>
PD017231

> <targets>
{Others,Bacterial}

> <classes>
{Immunology/Inflammation,Anti-infection}

> <pubchem_cids>
{10955174}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0  2  0  0  0
   -1.4470    5.2297    0.0000 C   0  0  2  0  0  0
   -2.9153    5.5365    0.0000 C   0  0
   -3.6607    4.2349    0.0000 O   0  0
   -2.6532    3.1236    0.0000 C   0  0
   -2.9512    1.6535    0.0000 O   0  0
   -0.3273    6.2252    0.0000 C   0  0
    1.0974    5.7534    0.0000 C   0  0
    2.2199    6.7484    0.0000 C   0  0
    3.6428    6.2739    0.0000 C   0  0
    3.9434    4.8044    0.0000 C   0  0
    5.3682    4.3326    0.0000 O   0  0
    6.4892    5.3293    0.0000 C   0  0
    2.8210    3.8093    0.0000 C   0  0
    3.1188    2.3383    0.0000 O   0  0
    1.9950    1.3448    0.0000 C   0  0
    1.3981    4.2837    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
 11 12  2  0
  8 13  1  6
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 14  1  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26  3  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12304

> <plate>
PLATE 017

> <well>
H4

> <supplier_cmpd_name>
Arctigenin

> <ctcr_id>
7685

> <supplier_cmpd_id>
T2957

> <smiles>
COc1cc(C[C@@H]2[C@H](COC2=O)Cc3ccc(OC)c(OC)c3)ccc1O

> <pd_targets>
{CYP2C9,MAP2K1,CYP2C19,RORC,CYP3A4,MAPK1,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Cytochrome P450",Kinase,"Nuclear receptor","Cytochrome P450 family 2","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cytochrome P45
0 family 1","Cytochrome P450 family 2C","STE protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","CMGC protein kinase group","Cytochrome P450 family 1A","C
ytochrome P450 2C9","STE protein kinase STE7 family","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Cytochrome 
P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","CYP2 family: drug metabolising subset","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","1F
. Retinoic acid-related orphans","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","STE7 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Gene expression (Transcription)","Immune System","Biological oxidations","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Metabolism of li
pids","Innate Immune System","Phase I - Functionalization of compounds","Signaling by NTRKs","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Rece
ptor Cascades","Cytochrome P450 - arranged by substrate type","Signaling by NTRK1 (TRKA)","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade"
,Xenobiotics,"Signalling to ERKs","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","CYP2E1 reactions","Prolonged ERK activat
ion events","Biosynthesis of maresin-like SPMs","MAP kinase activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Frs2-mediated activation","MAPK targets/ Nuclear events medi
ated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CHUK,MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Arctigenin,(-)-Arctigenin,()Arctigenin,7770-78-7,7770787,UNII-U76MR9VS6M,UNIIU76MR9VS6M,C21H24O6,CHEBI:79,U76MR9VS6M,(+/-)-Arctigenin,(+/)Arctigenin,"Arctigenin, (+/-)-","Arctigenin, (+/)",Arctigenen
,"Arctigenin, trans-((+/-)-","Arctigenin, trans((+/)",Tocris-1777,Tocris1777,SCHEMBL381820,CHEMBL435734,MEGxp0_001799,MEGxp0001799,MEGxp0-001799,"MEGxp0 001799",ACon1_000416,ACon1000416,ACon1-000416,"
ACon1 000416",DTXSID60998919,HMS32,1777}

> <pdid>
PD012062

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{64981}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
   -5.1750    2.4141    0.0000 C   0  0
   -3.7106    2.0893    0.0000 N   0  0
   -2.7244    3.5602    0.0000 C   0  0
   -1.3873    2.9083    0.0000 C   0  0
   -1.0864    1.5043    0.0000 C   0  0
   -1.9890    0.3677    0.0000 C   0  0
   -3.4432    0.3677    0.0000 C   0  0
   -4.3959    1.5043    0.0000 C   0  0
   -4.0616    2.9083    0.0000 C   0  0
   -5.3820    2.3902    0.0000 O   0  0
    0.3779    1.1636    0.0000 O   0  0
    0.8153   -0.2720    0.0000 C   0  0
   -0.2091   -1.3677    0.0000 O   0  0
    2.2771   -0.6120    0.0000 C   0  0
    3.2999    0.4864    0.0000 C   0  0
    2.8611    1.9208    0.0000 O   0  0
    2.7145   -2.0477    0.0000 C   0  0
    4.1751   -2.3896    0.0000 C   0  0
    4.6093   -3.8253    0.0000 C   0  0
    3.5830   -4.9193    0.0000 C   0  0
    2.1225   -4.5775    0.0000 C   0  0
    1.6883   -3.1417    0.0000 C   0  0
    7.1093   -0.6796    0.0000 Br  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  9 10  1  0
 10  8  1  0
  5 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12305

> <plate>
PLATE 017

> <well>
H5

> <supplier_cmpd_name>
Scopolamine HBr

> <ctcr_id>
1258

> <supplier_cmpd_id>
T2725

> <smiles>
CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br

> <pd_targets>
{MACHR-A,CHRM2,CHRM4,CHRM3,CHRM5,CHRM1,SI,RORC,NFO,KMT2A,MEN1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Transcription factor","Epigenetic regulator","Family A G protein-coupled receptor","Nuclear receptor",Hydrolase,Reader,"Small molecule receptor (family A GPCR)","Nuclear h
ormone receptor subfamily 1",Bromodomain,"Monoamine receptor","Nuclear hormone receptor subfamily 1 group F","Acetylcholine receptor","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Nuclear hormone receptors","Acetylcholine receptors (muscarinic)","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Gene expression (Transcription)","Signaling by GPCR","Diseases of metabolism","RNA Polymerase II Transcription","GPCR ligand binding","Diseases of carbohydrate metaboli
sm","Generic Transcription Pathway","Class A/1 (Rhodopsin-like receptors)","Intestinal saccharidase deficiencies","Transcriptional regulation by RUNX3","Amine ligand-binding receptors","RUNX3 Regulate
s Immune Response and Cell Migration","Muscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,SI}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"Scopolamine hydrobromide",114-49-8,114498,"114 49 8","Scopolamine HBr",Scopos,Beldavrin,Scopamin,Tranaxine,Hyosol,"Hyoscine bromide","(-)-Scopolamine hydrobromide","()Scopolamine hydrobromide","( ) 
Scopolamine hydrobromide","Scopolamine (hydrobromide)","Scopolaminium bromide",UNII-R3K67DRL3J,UNIIR3K67DRL3J,"UNII R3K67DRL3J",Scopolammon,1500534,"SCOPOLAMINE HYDROBROMIDE"}

> <pdid>
PD008411

> <targets>
{}

> <classes>
{"treatment of motion sickness",anticholinergic}

> <pubchem_cids>
{6603108}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 52 56  0  0  1  0            999 V2000
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M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12306

> <plate>
PLATE 017

> <well>
H6

> <supplier_cmpd_name>
Salvianolic acid B

> <ctcr_id>
11159

> <supplier_cmpd_id>
T2727

> <smiles>
OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)O[C@H](Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1

> <pd_targets>
{REP}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{"Other protein targets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-2 Infection","SARS-CoV-2 Genome Replication and Transcription","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{MMP9}

> <broad_moa>
{"EGFR inhibitor","metalloproteinase inhibitor"}

> <synonyms>
{"Salvianolic acid B","Danfensuan B","Dan Shen Suan B","Lithospermic acid B","Lithospermate B",121521-90-2,121521902,UNII-C1GQ844199,UNIIC1GQ844199,C1GQ844199,115939-25-8,115939258,"Monardic acid B",C
HEMBL1615434,SCHEMBL19512041,CHEBI:134301,HY-N1362,HYN1362,ZINC3915684,"Dan She",T2727}

> <pdid>
PD017608

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{6451084}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 32  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
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    0.0000    1.5000    0.0000 C   0  0
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   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0008    0.0000 C   0  0  2  0  0  0
   -1.2147   -3.8589    0.0000 O   0  0
   -0.7532   -5.2861    0.0000 C   0  0
   -1.6365   -6.4985    0.0000 O   0  0
    0.7460   -5.2880    0.0000 C   0  0
    1.7481   -6.4042    0.0000 C   0  0
    1.5890   -7.8949    0.0000 O   0  0
    2.9585   -8.5069    0.0000 C   0  0
    3.9637   -7.3937    0.0000 O   0  0
    3.2158   -6.0944    0.0000 C   0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
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  6  7  1  0
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 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 15  1  0
 27 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12307

> <plate>
PLATE 017

> <well>
H7

> <supplier_cmpd_name>
(+)-Bicuculline

> <ctcr_id>
2222

> <supplier_cmpd_id>
T2850

> <smiles>
CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c6OCOc6ccc45

> <pd_targets>
{KCNN2,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,KCNN1,CYP3A4}

> <pathway_gtopdb>
{"Ion channel","Voltage-gated ion channel","Ligand-gated ion channel","Potassium channels","GABA-A receptor","Calcium-activated potassium channel",Enzyme,"Cytochrome P450","Cytochrome P450 family 3","
Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Ligand-gated ion channels","Potassium channels","GABA<sub>A</sub> receptors","Calcium- and sodium-activated potassium channels",Enzymes,"Cytochrome P450",
"CYP3 family"}

> <pathway_reactome>
{"Neuronal System","Potassium Channels","Transmission across Chemical Synapses","Ca2+ activated K+ channels","Neurotransmitter receptors and postsynaptic signal transmission","GABA receptor activation
",Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,KCNN1}

> <broad_moa>
{"GABA receptor antagonist"}

> <synonyms>
{(+)-Bicuculline,(+)Bicuculline,bicuculline,d-Bicuculline,dBicuculline,485-49-4,485494,Bicculine,Bicucullin,"Bicuculline (+)",UNII-Y37615DVKC,UNIIY37615DVKC,CHEBI:3092,CHEMBL417990,Y37615DVKC,NSC32192
,MFCD00005006,"NSC 32192",SR-01000075252,SR01000075252,"EINECS 207-619-7","EINECS 2076197","BRN 0098786",bicuculline-(+),bicuculline(+),Bic,BIC}

> <pdid>
PD001568

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{10237}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
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    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  6
 10  9  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  1
 13 14  1  0
 12 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  1
 17 19  1  0
 19 10  1  0
 19 20  1  6
 21  8  1  1
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  6
 24 26  1  0
 27 26  1  1
 27  5  1  0
 27 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12308

> <plate>
PLATE 017

> <well>
H8

> <supplier_cmpd_name>
Loganin

> <ctcr_id>
194

> <supplier_cmpd_id>
T2759

> <smiles>
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)C[C@H]13

> <pd_targets>
{STAT3}

> <pathway_gtopdb>
{"Transcription factor"}

> <pathway_chembl>
{"Other protein targets","Transcription factors","STAT transcription factors"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by FGFR in disease","Signaling by FGFR1 in disease","FGFR1 mutant receptor activation","Signaling
 by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Loganin,18524-94-2,18524942,Loganoside,UNII-H7WJ16Q93C,UNIIH7WJ16Q93C,CHEBI:15771,C17H26O10,H7WJ16Q93C,7-Hydroxy-6-desoxyverbenalin,7Hydroxy6desoxyverbenalin,Meliatin,"EINECS 242-398-0","EINECS 24239
80",Spectrum_001503,Spectrum001503,Spectrum-001503,"Spectrum 001503",SpecPlus_000563,SpecPlus000563,SpecPlus-000563,"SpecPlus 000563",Spectrum2_001637,Spectrum2001637,Spectrum2-001637,"Spectrum2 00163
7",Spectrum3_001875,Spectrum3001875,Spectrum3-001875,"Spectrum3 001875",Spectrum4_001914,Spectrum4001914,Spectrum4-001914,"Spectrum4 001914",Spectrum5_000628,Spectrum5000628,Spectrum5-000628,"Spectrum
5 000628",a,T2759,1504066,LOGANIN}

> <pdid>
PD011955

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{87691}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 78 85  0  0  1  0            999 V2000
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 66 67  1  1
 66 68  1  0
 68 61  1  0
 68 69  1  6
 36 70  1  0
 70 31  1  0
 70 71  1  6
 70 72  1  0
 72 73  1  0
 23 74  1  0
 74 14  1  0
 74 75  1  6
 75 76  1  0
 76 17  1  0
 76 77  1  6
 76 78  1  0
M  CHG  2   1   1  42  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12309

> <plate>
PLATE 017

> <well>
H9

> <supplier_cmpd_name>
Sodium Aescinate

> <ctcr_id>
11160

> <supplier_cmpd_id>
T3027

> <smiles>
[Na+].CC(=O)OC(C)C(C)C(=O)OC[C@@]98[C@@H](O)[C@H]7O[C@@H]9C[C@]6(C)C(=CC[C@H]5[C@@]6(C)CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]3O[C@H](C([O-])=O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]3
O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@]4(C)CO)[C@@H]8C[C@@]7(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T3027,"Sodium Aescinate"}

> <pdid>

> <targets>
{HIF-1¦Á}

> <classes>
{Angiogenesis,Chromatin/Epigenetic}

> <pubchem_cids>
{133640196}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 62 68  0  0  1  0            999 V2000
    7.3451    8.5526    0.0000 C   0  0
    7.3433    7.0526    0.0000 C   0  0
    8.6417    6.2999    0.0000 C   0  0  2  0  0  0
    9.9419    7.0479    0.0000 C   0  0
    8.6400    4.8000    0.0000 C   0  0  1  0  0  0
    7.4100    4.0000    0.0000 O   0  0
    7.4100    2.4100    0.0000 C   0  0  2  0  0  0
    8.6400    1.6100    0.0000 C   0  0
    9.8600    2.4100    0.0000 C   0  0
    9.8600    4.0000    0.0000 C   0  0  2  0  0  0
   11.1798    4.7128    0.0000 C   0  0
    7.4100    0.7000    0.0000 C   0  0
    6.1800    0.0000    0.0000 C   0  0  2  0  0  0
    4.9400    0.7000    0.0000 C   0  0
    4.9400    2.4100    0.0000 C   0  0  1  0  0  0
    3.7100    3.2100    0.0000 C   0  0
    2.4800    2.4100    0.0000 C   0  0
    1.2500    3.2100    0.0000 C   0  0
    1.2500    4.7100    0.0000 C   0  0
    0.0200    2.4100    0.0000 C   0  0  1  0  0  0
   -1.2647    3.1854    0.0000 O   0  0
   -1.2351    4.6859    0.0000 C   0  0  1  0  0  0
   -2.5181    5.4633    0.0000 C   0  0
   -2.4864    6.9630    0.0000 C   0  0  2  0  0  0
   -3.7717    7.7380    0.0000 O   0  0
   -5.0852    7.0137    0.0000 C   0  0
   -1.1719    7.6854    0.0000 C   0  0  1  0  0  0
   -1.1433    9.1860    0.0000 O   0  0
   -2.4280    9.9618    0.0000 C   0  0  1  0  0  0
   -2.4016   11.4616    0.0000 C   0  0
   -3.6873   12.2344    0.0000 C   0  0  2  0  0  0
   -3.6577   13.7349    0.0000 O   0  0
   -2.3446   14.4600    0.0000 C   0  0
   -4.9993   11.5074    0.0000 C   0  0  1  0  0  0
   -6.2849   12.2802    0.0000 O   0  0
   -5.0258   10.0076    0.0000 C   0  0  2  0  0  0
   -6.3378    9.2807    0.0000 C   0  0
   -3.7402    9.2348    0.0000 O   0  0
    0.1111    6.9081    0.0000 C   0  0  2  0  0  0
    1.4256    7.6306    0.0000 C   0  0
    0.0794    5.4085    0.0000 O   0  0
    0.0200    0.7000    0.0000 C   0  0  1  0  0  0
   -1.2767   -0.0540    0.0000 C   0  0
    1.2500    0.0000    0.0000 C   0  0
    1.2500   -1.6800    0.0000 C   0  0
    2.4800   -2.4800    0.0000 C   0  0
    2.4800   -4.1900    0.0000 C   0  0
    1.2500   -4.9900    0.0000 C   0  0
    1.2500   -6.5900    0.0000 O   0  0
    3.7100   -6.5900    0.0000 C   0  0  2  0  0  0
    4.9400   -7.5000    0.0000 C   0  0  2  0  0  0
    4.9371   -9.0000    0.0000 O   0  0
    6.1800   -6.5900    0.0000 C   0  0
    6.1800   -4.9900    0.0000 C   0  0
    4.9400   -4.1900    0.0000 C   0  0  1  0  0  0
    4.9400   -2.4800    0.0000 C   0  0
    3.6228   -1.7623    0.0000 O   0  0
    6.1800   -1.6800    0.0000 O   0  0
    3.7100   -4.9900    0.0000 C   0  0  2  0  0  0
    3.7100   -3.4900    0.0000 O   0  0
    7.5181   -7.2678    0.0000 C   0  0
    6.1800    3.2100    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  6
  7  6  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  1  1
  7 12  1  0
 13 12  1  1
 13 14  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  6
 22 21  1  1
 22 23  1  0
 23 24  1  0
 24 25  1  6
 25 26  1  0
 24 27  1  0
 27 28  1  1
 29 28  1  6
 29 30  1  0
 30 31  1  0
 31 32  1  1
 32 33  1  0
 31 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  1
 36 38  1  0
 38 29  1  0
 27 39  1  0
 39 40  1  6
 39 41  1  0
 41 22  1  0
 20 42  1  0
 42 43  1  6
 42 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  1  0
 50 49  1  1
 50 51  1  0
 51 52  1  1
 51 53  1  0
 53 54  2  3
 55 54  1  6
 55 56  1  0
 56 57  2  0
 56 58  1  0
 58 13  1  0
 55 59  1  0
 59 47  1  0
 59 50  1  0
 59 60  1  6
 53 61  1  0
 15 62  1  0
 62  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12310

> <plate>
PLATE 017

> <well>
H10

> <supplier_cmpd_name>
Ivermectin

> <ctcr_id>
5529

> <supplier_cmpd_id>
T1131

> <smiles>
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C/C=C(C)/[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O
)C)O2

> <pd_targets>
{ATP2A2,ATP2A1,ABCC1,ABCB1,ABCC2,GROES,GROL,ATP1A1,HSPD1,HSPE1,GLRA3,GABRB3,CHRNA7,P2RX4,P2RX7,ATP1A2,ATP1A3,GLRA1,GLRA2,GLRB,NR1H4,ABCB1A,ABCB1B,ADORA3,CHRM3,ADRA2A,SLC6A2,DRD3,SLC6A3,CHRM5,ADRA2C,CH
RM1,GLUCLX}

> <pathway_gtopdb>
{Transporter,"Unclassified protein","Other cytosolic protein","Ion channel","Transcription factor","Membrane receptor","Primary active transporter","Ligand-gated ion channel","Nuclear receptor","Famil
y A G protein-coupled receptor","Electrochemical transporter","P-type ATPase","ATP-binding cassette","Glycine receptor","GABA-A receptor","Nicotinic acetylcholine receptor","P2X receptor","Nuclear hor
mone receptor subfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Calcium ATPase","ABCC subfamily","ABCB subfamily","Sodium potassium ATPase","Nicotinic acetyl
choline receptor alpha subunit","Nuclear hormone receptor subfamily 1 group H","Nucleotide-like receptor (family A GPCR)","Monoamine receptor","SLC06 neurotransmitter transporter family","Nuclear horm
one receptor subfamily 1 group H member 4","Adenosine receptor","Acetylcholine receptor","Adrenergic receptor","Dopamine receptor"}

> <pathway_chembl>
{Transporters,"Ion channels",Receptors,"P-type ATPases","ATP-binding cassette transporter family","Ligand-gated ion channels","Nuclear hormone receptors","G protein-coupled receptors","SLC superfamily
 of solute carriers","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","ABCC subfamily","ABCB subfamily","P2C P-type ATPases","Glycine receptors","GABA<sub>A</sub> receptors","Nicotinic acetylcholine rece
ptors","P2X receptors","1H. Liver X receptor-like receptors","Adenosine receptors","Acetylcholine receptors (muscarinic)",Adrenoceptors,"SLC6 neurotransmitter transporter family","Dopamine receptors",
Na<sup>+</sup>/K<sup>+</sup>-ATPases,"Monoamine transporter subfamily"}

> <pathway_reactome>
{Hemostasis,Metabolism,Disease,"Neuronal System","Signal Transduction","Platelet homeostasis","Metabolism of lipids","Abacavir transport and metabolism","Disorders of transmembrane transporters","Infe
ctious disease","Transmission across Chemical Synapses","Signaling by GPCR","Platelet calcium homeostasis","Fatty acid metabolism","Abacavir transmembrane transport","ABC transporter disorders","SARS-
CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","Metabolism of steroids","GPCR ligand binding","SLC transporter disorders","Reduction of cytoso
lic Ca++ levels","Arachidonic acid metabolism","Defective ABCC2 causes DJS","Potential therapeutics for SARS","GABA receptor activation","Acetylcholine binding and downstream events","Cell recruitment
 (pro-inflammatory response)","Bile acid and bile salt metabolism","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-d
ystonia infantile (PKDYS)","Leishmania parasite growth and survival","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Postsynaptic nicotinic acetylcholine receptors","Purinergic signaling in leishman
iasis infection","Synthesis of bile acids and bile salts","Nucleotide-like (purinergic) receptors","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection"
,"Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Adenosine P1 receptors","Muscarinic acetylcholine recepto
rs",Adrenoceptors,"Dopamine receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{CHRNA7,P2RX7}

> <broad_moa>
{"benzodiazepine receptor agonist"}

> <synonyms>
{IVERMECTIN,"Ivermectin B1a",70288-86-7,70288867,"Dihydroavermectin B1a","22,23-Dihydroavermectin B1a","22,23Dihydroavermectin B1a","avermectin H2B1a",UNII-91Y2202OUW,UNII91Y2202OUW,71827-03-7,7182703
7,"Ivermectin Component B1a",CHEBI:63941,91Y2202OUW,"5-O-demethyl-22,23-dihydroavermectin A1a","5Odemethyl22,23dihydroavermectin A1a","C48H74O14 (",T1131,Prestw-156,Ivermectin}

> <pdid>
PD129995

> <targets>
{Parasite,SARS-CoV}

> <classes>
{Anti-infection}

> <pubchem_cids>
{6321424}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 20  0  0  1  0            999 V2000
    3.5435   -3.9479    0.0000 C   0  0
    2.2164   -3.2486    0.0000 C   0  0
    2.1581   -1.7535    0.0000 C   0  0
    3.5648   -0.7515    0.0000 C   0  0  2  0  0  0
    2.7362   -0.4625    0.0000 C   0  0
    0.8286    0.3661    0.0000 C   0  0
    0.0000    0.1734    0.0000 C   0  0
   -2.0040    0.8093    0.0000 C   0  0
   -2.7555    1.7535    0.0000 C   0  0
   -1.7149    1.9847    0.0000 C   0  0
   -1.5923    3.4797    0.0000 O   0  0
    0.0578    1.2718    0.0000 N   0  0
    0.6359   -0.7900    0.0000 C   0  0  2  0  0  0
   -0.1892   -1.3550    0.0000 N   0  0
    1.2718    0.5973    0.0000 C   0  0
    2.6977    1.7535    0.0000 C   0  0
    3.8345    1.0791    0.0000 C   0  0
    2.5883    3.2495    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12  6  1  0
 13  7  1  1
 13  3  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  2  3
 17  4  1  0
 16 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12311

> <plate>
PLATE 017

> <well>
H11

> <supplier_cmpd_name>
(-)-Huperzine A

> <ctcr_id>
5122

> <supplier_cmpd_id>
T3026

> <smiles>
C/C=C/1[C@@H]2CC3=C(C=CC(=O)N3)[C@@]1(N)CC(=C2)C

> <pd_targets>
{BCHE,ACHE}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,"Acetylcholine turnover"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Phospholipid metabolism","Glycerophospholipid biosynthesis","Synthesis of PC"}

> <broad_targets>
{ACHE}

> <broad_moa>
{"acetylcholinesterase inhibitor"}

> <synonyms>
{"Huperzine A","(-)-huperzine A","()huperzine A","(-)-huperazine A","()huperazine A",102518-79-6,102518796,(-)-Selagine,()Selagine,Selagine,"Hup A",CHEMBL395280,Huperzine-A,HuperzineA,CHEBI:78330,UNII
-0111871I23,UNII0111871I23,DSSTox_CID_26038,DSSToxCID26038,DSSTox-CID-26038,"DSSTox CID 26038",DSSTox_RID_81302,DSSToxRID81302,DSSTox-RID-81302,"DSSTox RID 81302",DSSTox_GSID_46038,DSSToxGSID46038,DSS
Tox-GSID-46038,"DSSTox GSID 46038",0111871I23,"Huperizine A","(+)-Huperzine A","(+)Huperzine A",CA,T3026,1505255,"(-)-Huperzine A","HUPERZINE A"}

> <pdid>
PD000542

> <targets>
{}

> <classes>
{anticholinesterase,"cognition enhancer"}

> <pubchem_cids>
{854026}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 68 71  0  0  0  0            999 V2000
    7.7751  -15.0212    0.0000 C   0  0
    9.0755  -14.2734    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    7.7858   -7.5171    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -5.1925   -3.0071    0.0000 O   0  0
   -7.7897   -3.0041    0.0000 C   0  0
   -7.7876   -1.5041    0.0000 O   0  0
   -7.7905   -6.0071    0.0000 O   0  0
   -5.1923   -7.5071    0.0000 O   0  0
   -2.5943   -6.0071    0.0000 O   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0000    3.0000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
   10.3737  -15.0265    0.0000 C   0  0
   10.3716  -16.5273    0.0000 C   0  0
   11.6698  -17.2804    0.0000 C   0  0
   11.6676  -18.7813    0.0000 C   0  0
   10.3673  -19.5290    0.0000 C   0  0
   12.9658  -19.5343    0.0000 C   0  0
   14.2662  -18.7866    0.0000 O   0  0
   12.9637  -21.0352    0.0000 O   0  0
   14.2619  -21.7882    0.0000 C   0  0
   14.2620  -23.2883    0.0000 C   0  0
   15.5610  -24.0383    0.0000 C   0  0
   16.8600  -23.2883    0.0000 C   0  0
   16.8601  -21.7883    0.0000 C   0  0
   15.5610  -21.0383    0.0000 O   0  0
   18.1583  -21.0353    0.0000 C   0  0
   18.1562  -19.5344    0.0000 O   0  0
   19.4544  -18.7814    0.0000 C   0  0
   19.4545  -17.2814    0.0000 C   0  0
   20.7535  -16.5314    0.0000 C   0  0
   22.0526  -17.2814    0.0000 C   0  0
   22.0526  -18.7814    0.0000 C   0  0
   20.7535  -19.5314    0.0000 O   0  0
   23.3508  -19.5344    0.0000 C   0  0
   23.3487  -21.0344    0.0000 O   0  0
   23.3516  -16.5314    0.0000 O   0  0
   20.7535  -15.0314    0.0000 O   0  0
   18.1555  -16.5313    0.0000 O   0  0
   18.1591  -24.0384    0.0000 O   0  0
   15.5610  -25.5383    0.0000 O   0  0
   12.9629  -24.0383    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 29 31  1  0
 31 32  1  0
 28 33  1  0
 27 34  1  0
 26 35  1  0
 20 36  1  0
 19 37  1  0
 18 38  1  0
  2 39  1  0
 39 40  2  3
 40 41  1  0
 41 42  2  3
 42 43  1  0
 42 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 47  1  0
 51 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 55  1  0
 59 61  1  0
 61 62  1  0
 58 63  1  0
 57 64  1  0
 56 65  1  0
 50 66  1  0
 49 67  1  0
 48 68  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12312

> <plate>
PLATE 018

> <well>
A2

> <supplier_cmpd_name>
Crocin

> <ctcr_id>
12845

> <supplier_cmpd_id>
T2823

> <smiles>
CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ROCIN,Crocin,"Crocin I",42553-65-1,42553651,"Crocin centn",DB-050152,DB050152,FT-0624099,FT0624099,FT-0626631,FT0626631}

> <pdid>
PD013658

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3510570}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 29  0  0  0  0            999 V2000
    2.5981    0.0000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 N   0  0
   -2.4133    1.7530    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
    3.8971   -0.7500    0.0000 C   0  0
    5.1962   -1.5000    0.0000 C   0  0
    5.1962   -3.0000    0.0000 C   0  0
    6.1061   -2.5853    0.0000 C   0  0
    3.8971   -3.7500    0.0000 C   0  0
    4.2297   -5.2071    0.0000 C   0  0
    5.7224   -5.3544    0.0000 C   0  0
    6.3238   -3.9802    0.0000 C   0  0
    6.6076   -3.0213    0.0000 O   0  0
    7.3163   -5.0884    0.0000 C   0  0
    8.3343   -6.1901    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  4  2  0
  8  9  1  0
  9 10  2  3
 10  2  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  2  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 13  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 22 23  1  0
 22 24  1  0
 24 25  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12313

> <plate>
PLATE 018

> <well>
A3

> <supplier_cmpd_name>
Danazol

> <ctcr_id>
2784

> <supplier_cmpd_id>
T1480

> <smiles>
CC12Cc3cnoc3C=C1CCC4C2CCC5(C)C4CCC5(O)C#C

> <pd_targets>
{PGR,AR,CYP2C8,CYP2J2,ABCB11,CYP2D6,SHBG,CYP2C9,ADRA2A,OPRM1,SLC6A4,ADORA3,ADRA2C,OPRK1,ADRA2B,DRD3,SLC6A3,NR3C1,HTR2A,SLC6A2,ESR1,ADRB3,CHRM3,TACR2,GNRHR,GNRHR2,CCL2,LMNA,MAPT,BLM,NPSR1,GMNN,FTL,PMP2
2}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transporter,"Secreted protein","Membrane receptor","Other nuclear protein","Other cytosolic protein","Unclassified protein","Nuclear receptor","Cytochrome P450","Primary
 active transporter","Family A G protein-coupled receptor","Electrochemical transporter","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 2","ATP-binding cassette","Small molecule recept
or (family A GPCR)","Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 family 2C","ABCB subfamily","Cytochrome P450
 family 2D","Monoamine receptor","Short peptide receptor (family A GPCR)","SLC06 neurotransmitter transporter family","Nucleotide-like receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 g
roup A","Chemokine receptor","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","Cytochrome P450 2C8","Cytochrome P450 2D6","Cytochrome P45
0 2C9","Adrenergic receptor","Opioid receptor","Adenosine receptor","Dopamine receptor","Nuclear hormone receptor subfamily 3 group C member 1","Serotonin receptor","Nuclear hormone receptor subfamily
 3 group A member 1","Acetylcholine receptor","Neurokinin receptor","GnRH receptor","CC chemokine receptor","Neuropeptide receptor"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Cytochrome P450","ATP-binding cassette transporter family","G protein-coupled receptors","SLC superfamily of solute carriers","Steroid horm
one receptors","CYP2 family: drug metabolising subset","ABCB subfamily",Adrenoceptors,"Opioid receptors","SLC6 neurotransmitter transporter family","Adenosine receptors","Dopamine receptors","5-Hydrox
ytryptamine receptors","Acetylcholine receptors (muscarinic)","Tachykinin receptors","Gonadotrophin-releasing hormone receptors","Neuropeptide S receptor","3C. 3-Ketosteroid receptors","Monoamine tran
sporter subfamily","3A. Estrogen receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Signal Transduction","Neuronal System",Disease,"Metabolism of proteins","Cell Cycle","DNA Repair","Vesicle-mediated transport","Developmental Biology","R
NA Polymerase II Transcription","Biological oxidations","Metabolism of lipids","Signaling by GPCR","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Infectious disease
","Post-translational protein modification",Mitotic,"DNA Double-Strand Break Repair","Membrane Trafficking","Nervous system development","Generic Transcription Pathway","Phase I - Functionalization of
 compounds","Metabolism of steroids","GPCR ligand binding","GPCR downstream signalling","Neurotransmitter clearance","SLC transporter disorders","Leishmania infection",SUMOylation,"M Phase","Neurotran
smitter receptors and postsynaptic signal transmission","Homology Directed Repair","Mitotic G1 phase and G1/S transition","trans-Golgi Network Vesicle Budding","EGR2 and SOX10-mediated initiation of S
chwann cell myelination","Transcriptional regulation by RUNX2","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Class A/1 (Rhodopsin-like receptors)","G alpha (i) s
ignalling events","Serotonin clearance from the synaptic cleft","Transcriptional Regulation by MECP2","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","FOXO-mediated transcription","D
efective SLC6A2 causes orthostatic intolerance (OI)","Transcriptional regulation by RUNX1","Leishmania parasite growth and survival","SUMO E3 ligases SUMOylate target proteins","Mitotic Metaphase and 
Anaphase","Activation of NMDA receptors and postsynaptic events","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G1/S Transition","Golgi Associated Vesicle Biogenesis","
RUNX2 regulates bone development",Xenobiotics,"Fatty acids","Synthesis of bile acids and bile salts","Amine ligand-binding receptors","Opioid Signalling","Nucleotide-like (purinergic) receptors","MECP
2 regulates neuronal receptors and channels","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","RUNX1 regulates estrogen receptor mediated transcription","Anti-inflammat
ory response favouring Leishmania parasite infection","Peptide ligand-binding receptors","SUMOylation of intracellular receptors","Hormone ligand-binding receptors","Mitotic Anaphase","Post NMDA recep
tor activation events","HDR through Homologous Recombination (HRR)","Activation of the pre-replicative complex","RUNX2 regulates osteoblast differentiation","CYP2E1 reactions","Synthesis of bile acids
 and bile salts via 7alpha-hydroxycholesterol",Adrenoceptors,"G-protein activation","Adenosine P1 receptors","Dopamine receptors","Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines pr
oduction","Muscarinic acetylcholine receptors","Tachykinin receptors bind tachykinins","Chemokine receptors bind chemokines","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs
","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{AR,CCL2,ESR1,GNRHR,GNRHR2,PGR}

> <broad_moa>
{"estrogen receptor antagonist","progesterone receptor agonist"}

> <synonyms>
{MLS003115428,LSM-1379,LSM1379,Danovaol,Bonzol,"Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol, (17.alpha.)-","Pregna2,4dien20yno(2,3d)isoxazol17ol, (17.alpha.)","WIN 17757",NSC270916,"NSC 270916",NSC-27
0916,Oprea1_249465,Oprea1249465,Oprea1-249465,"Oprea1 249465",SCHEMBL5021653,CHEMBL4296981,CHEBI:91575,HMS3266J13,BBL009933,MFCD04108703,STK801350,Danazol}

> <pdid>
PD002395

> <targets>
{Androgen Receptor}

> <classes>
{Others}

> <pubchem_cids>
{2949}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 55 62  0  0  1  0            999 V2000
   -3.8097    4.8584    0.0000 C   0  0  1  0  0  0
   -5.1182    4.1249    0.0000 C   0  0  1  0  0  0
   -6.4076    4.8912    0.0000 C   0  0  2  0  0  0
   -6.3887    6.3911    0.0000 C   0  0  1  0  0  0
   -5.0803    7.1246    0.0000 C   0  0  2  0  0  0
   -3.7908    6.3583    0.0000 O   0  0
   -5.0644    8.6254    0.0000 C   0  0
   -6.3549    9.3899    0.0000 O   0  0
   -7.6781    7.1575    0.0000 O   0  0
   -7.7161    4.1577    0.0000 O   0  0
   -5.1309    3.1249    0.0000 O   0  0
   -2.5211    4.0890    0.0000 O   0  0
   -2.5421    2.5883    0.0000 C   0  0  2  0  0  0
   -1.2553    1.8175    0.0000 C   0  0  2  0  0  0
   -1.2794    0.3176    0.0000 C   0  0  1  0  0  0
   -2.5904   -0.4113    0.0000 O   0  0
   -3.8772    0.3595    0.0000 C   0  0  1  0  0  0
   -3.8531    1.8593    0.0000 C   0  0  2  0  0  0
   -4.7109    2.3731    0.0000 O   0  0
   -5.1882   -0.3695    0.0000 C   0  0
    0.0095   -0.4512    0.0000 O   0  0
    1.3200    0.2800    0.0000 C   0  0  1  0  0  0
    1.3200    1.7700    0.0000 C   0  0
    2.6600    2.5600    0.0000 C   0  0
    4.0000    1.7900    0.0000 C   0  0  1  0  0  0
    4.0000    0.2500    0.0000 C   0  0  2  0  0  0
    2.6600   -0.5000    0.0000 C   0  0  1  0  0  0
    3.9712   -1.2285    0.0000 C   0  0
    1.3541   -1.1967    0.0000 C   0  0
    0.4922   -0.6898    0.0000 O   0  0
    5.3400   -0.5000    0.0000 C   0  0
    6.6800    0.2800    0.0000 C   0  0
    6.6800    1.7700    0.0000 C   0  0  1  0  0  0
    8.0200    2.5400    0.0000 C   0  0  2  0  0  0
    9.3600    1.7500    0.0000 C   0  0
   10.6800    2.5000    0.0000 C   0  0  1  0  0  0
   10.6800    4.0800    0.0000 C   0  0  1  0  0  0
   12.0200    4.8600    0.0000 C   0  0
   12.0200    6.3900    0.0000 C   0  0
   10.6800    7.1500    0.0000 C   0  0
    9.3600    6.3900    0.0000 C   0  0
    9.3600    4.8300    0.0000 C   0  0  1  0  0  0
    8.0200    4.0900    0.0000 C   0  0  1  0  0  0
    6.6800    4.8600    0.0000 C   0  0
    5.3400    4.0900    0.0000 C   0  0
    5.3400    2.5600    0.0000 C   0  0  2  0  0  0
    9.5200    3.6900    0.0000 O   0  0
   12.1700    3.6900    0.0000 C   0  0
    9.3610    7.8644    0.0000 C   0  0
   11.9942    7.8730    0.0000 C   0  0
   11.9764    1.7455    0.0000 O   0  0
    8.0144    1.5400    0.0000 C   0  0
    7.5455    1.2691    0.0000 C   0  0
    4.0000    3.2900    0.0000 C   0  0
    0.0556    2.5465    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  1
  7  8  1  0
  4  9  1  6
  3 10  1  1
  2 11  1  6
  1 12  1  1
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 18 19  1  6
 17 20  1  6
 15 21  1  6
 22 21  1  1
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 27 28  1  1
 27 29  1  0
 29 30  1  0
 26 31  1  1
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  6
 38 39  1  0
 39 40  1  0
 40 41  1  0
 42 41  1  6
 42 37  1  0
 42 43  1  0
 43 34  1  0
 43 44  1  0
 44 45  2  3
 46 45  1  1
 46 25  1  0
 46 33  1  0
 43 47  1  1
 47 48  1  0
 48 37  1  0
 40 49  1  0
 40 50  1  0
 36 51  1  1
 34 52  1  6
 33 53  1  1
 25 54  1  1
 14 55  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12314

> <plate>
PLATE 018

> <well>
A4

> <supplier_cmpd_name>
Saikosaponin A

> <ctcr_id>
11162

> <supplier_cmpd_id>
T2768

> <smiles>
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O)C)O[C@H]1CC[C@]2([C@H]([C@]1(C)CO)CC[C@]1([C@@]3(C[C@@H]([C@@]45CCC(C[C@H]4[C@]3(C=C[C@H]21)OC5)(C)C)O)C)C)C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Saikosaponin A",20736-09-8,20736098,UNII-09O6CAG7JV,UNII09O6CAG7JV,09O6CAG7JV,CHEBI:8996,SCHEMBL179964,CHEMBL3542194,DTXSID00942951,HMS3886G06,HY-N0246,HYN0246,s5466,AKOS015896720,"saikosaponin a fr
om bupleurum falcatnum",ZINC245205019,CCG-270464,CCG270464,CS-0008277,CS0008277,N1885,C08975,Q,T3913,T2768,"Saikosaponin D"}

> <pdid>
PD056216

> <targets>
{NF-¦ÊB,Bacterial,Estrogen Receptor/ERR,NF-ºB,STAT}

> <classes>
{NF-¦ªb,Anti-infection,JAK/STAT Signaling,NF-ºB,Others,Stem Cell/Wnt}

> <pubchem_cids>
{167928}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 50 50  0  0  1  0            999 V2000
    9.0983   -0.7368    0.0000 N   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0  1  0  0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0  1  0  0  0
   -1.2935    3.7495    0.0000 O   0  0
   -1.2883    5.2495    0.0000 C   0  0  2  0  0  0
    0.0156    5.9928    0.0000 C   0  0
    1.3109    5.2364    0.0000 N   0  0
   -2.5848    6.0040    0.0000 C   0  0  1  0  0  0
   -2.5796    7.5040    0.0000 O   0  0
   -3.8864    5.2585    0.0000 C   0  0  2  0  0  0
   -5.1828    6.0129    0.0000 O   0  0
   -3.8915    3.7585    0.0000 C   0  0  1  0  0  0
   -5.1932    3.0130    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0  1  0  0  0
   -2.6004   -2.9949    0.0000 O   0  0
   -3.9021   -3.7405    0.0000 C   0  0  2  0  0  0
   -5.1977   -2.9829    0.0000 C   0  0
   -5.1903   -1.4829    0.0000 O   0  0
   -3.9072   -5.2404    0.0000 C   0  0  1  0  0  0
   -5.2088   -5.9860    0.0000 O   0  0
   -2.6108   -5.9949    0.0000 C   0  0  2  0  0  0
   -2.6160   -7.4949    0.0000 N   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0127   -6.0039    0.0000 O   0  0
   12.8990    1.5045    0.0000 O   0  0
   12.8990    0.0045    0.0000 S   0  0
   12.8990   -1.4955    0.0000 O   0  0
   11.5997   -0.7451    0.0000 O   0  0
   14.1982   -0.7451    0.0000 O   0  0
   17.9989    1.5045    0.0000 O   0  0
   17.9989    0.0045    0.0000 S   0  0
   17.9989   -1.4955    0.0000 O   0  0
   16.6997   -0.7451    0.0000 O   0  0
   19.2982   -0.7451    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  2  0
  6  8  1  0
  9  8  1  1
  9 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  6
 15 14  1  6
 15 16  1  0
 16 17  1  0
 17 18  1  1
 18 19  1  0
 17 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  1  1
 22 24  1  0
 24 15  1  0
 24 25  1  6
 13 26  1  0
 26 27  1  1
 26 28  1  0
 28  9  1  0
 28 29  1  6
 30 29  1  6
 30 31  1  0
 31 32  1  0
 32 33  1  1
 33 34  1  0
 32 35  1  0
 35 36  1  6
 35 37  1  0
 37 38  1  1
 37 39  1  0
 39 30  1  0
 39 40  1  0
 41 42  1  0
 42 43  1  0
 42 44  2  0
 42 45  2  0
 46 47  1  0
 47 48  1  0
 47 49  2  0
 47 50  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12315

> <plate>
PLATE 018

> <well>
A5

> <supplier_cmpd_name>
Amikacin Sulfate Salt

> <ctcr_id>
6547

> <supplier_cmpd_id>
T3125

> <smiles>
NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)C3O.O[S](O)(=O)=O.O[S](O)(=O)=O

> <pd_targets>
{LMNA,RPSL}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial 30S ribosomal subunit inhibitor"}

> <synonyms>
{"AMIKACIN SULFATE",SPECTRUM1500111,HMS500P08,HMS1920A21,HMS2091G21,CCG-39707,CCG39707,SR-05000001557,SR05000001557,SR-05000001557-1,SR050000015571,T3125,1500111,"Amikacin Sulfate Salt"}

> <pdid>
PD010002

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5702006}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 53 58  0  0  0  0            999 V2000
   -6.5083   -7.9565    0.0000 C   0  0
   -6.0031   -6.5441    0.0000 O   0  0
   -4.5267   -6.2744    0.0000 C   0  0
   -3.5558   -7.4177    0.0000 O   0  0
   -4.0213   -4.8612    0.0000 C   0  0
   -2.5449   -4.5914    0.0000 C   0  0
   -2.0400   -3.1800    0.0000 C   0  0
   -2.8600   -1.9900    0.0000 C   0  0
   -4.3595   -1.9495    0.0000 C   0  0
   -1.9800   -0.8500    0.0000 C   0  0
   -0.6100   -1.3400    0.0000 N   0  0
   -0.6600   -2.7800    0.0000 C   0  0
    1.1200   -3.3700    0.0000 C   0  0
    2.5400   -2.6900    0.0000 C   0  0
    2.9300   -1.3400    0.0000 N   0  0
    4.3400   -1.2900    0.0000 C   0  0
    5.0800    0.4500    0.0000 C   0  0
    4.2500    2.1200    0.0000 C   0  0
    2.9800    2.5400    0.0000 N   0  0
    2.9900    3.7900    0.0000 C   0  0
    1.1200    4.5400    0.0000 C   0  0
   -0.2300    3.7700    0.0000 C   0  0
   -0.6100    2.5000    0.0000 N   0  0
   -1.9300    2.4900    0.0000 C   0  0
   -2.9500    0.6200    0.0000 C   0  0
   -2.3600    3.7300    0.0000 C   0  0
   -3.4582    2.7083    0.0000 C   0  0
   -3.5700    4.2500    0.0000 C   0  0
   -4.7752    3.3524    0.0000 C   0  0
   -4.6004    1.8626    0.0000 O   0  0
   -6.1537    3.9458    0.0000 O   0  0
   -7.3568    3.0499    0.0000 C   0  0
   -3.7300    5.5500    0.0000 C   0  0
   -2.6900    6.3400    0.0000 C   0  0
   -1.4800    5.8300    0.0000 C   0  0
   -1.3100    4.5100    0.0000 C   0  0
   -5.1128    6.1382    0.0000 C   0  0
   -6.3112    5.2361    0.0000 O   0  0
   -5.2955    7.6279    0.0000 O   0  0
   -6.6758    8.2151    0.0000 C   0  0
    4.2800    4.2500    0.0000 C   0  0
    4.7465    5.6756    0.0000 C   0  0
    5.0800    3.0700    0.0000 C   0  0
    6.5744    2.9468    0.0000 C   0  0
    7.4301    4.1788    0.0000 C   0  0
    4.8300   -2.6100    0.0000 C   0  0
    6.2738   -3.0169    0.0000 C   0  0
    3.7100   -3.4900    0.0000 C   0  0
    3.7612   -4.9882    0.0000 C   0  0
    5.0854   -5.6946    0.0000 C   0  0
    5.1367   -7.1946    0.0000 C   0  0
    3.8638   -7.9881    0.0000 O   0  0
    6.4601   -7.9006    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 10  2  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 28 33  1  0
 33 34  2  3
 34 35  1  0
 35 36  2  3
 36 22  1  0
 36 26  1  0
 33 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 20 41  2  0
 41 42  1  0
 41 43  1  0
 43 18  2  0
 43 44  1  0
 44 45  2  0
 16 46  1  0
 46 47  1  0
 46 48  2  0
 48 14  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 51 53  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12316

> <plate>
PLATE 018

> <well>
A6

> <supplier_cmpd_name>
Verteporfin

> <ctcr_id>
3718

> <supplier_cmpd_id>
T3112

> <smiles>
COC(=O)CCc1c(C)c2[nH]c1cc3nc(cc4[nH]c(cc5nc(c2)C6(C)C(C(=O)OC)C(=CC=C56)C(=O)OC)c(C)c4C=C)c(C)c3CCC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BPD-MA-A1,BPDMAA1,LS-15435,LS15435,FT-0655751,FT0655751,S1786,Verteporfin}

> <pdid>

> <targets>
{Others,Apoptosis,Autophagy,YAP}

> <classes>
{Apoptosis,Autophagy,Stem Cell/Wnt}

> <pubchem_cids>
{9896625}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 44  0  0  1  0            999 V2000
    7.3217   -3.0628    0.0000 C   0  0
    6.4437   -1.8466    0.0000 C   0  0
    7.0583   -0.4784    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.2506    0.5865    0.0000 C   0  0
    3.1277    1.5822    0.0000 C   0  0
    3.4277    3.0528    0.0000 C   0  0  1  0  0  0
    4.8506    3.5275    0.0000 O   0  0
    2.3048    4.0485    0.0000 C   0  0
    2.6048    5.5191    0.0000 C   0  0  1  0  0  0
    4.0277    5.9938    0.0000 O   0  0
    1.4819    6.5149    0.0000 C   0  0
    1.7819    7.9854    0.0000 C   0  0
    3.2048    8.4602    0.0000 O   0  0
    0.6596    8.9806    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.6115   -3.9772    0.0000 C   0  0
    0.1606   -3.6178    0.0000 C   0  0
   -0.8791   -4.6991    0.0000 C   0  0
   -0.4625   -6.1401    0.0000 C   0  0
    0.9937   -6.4998    0.0000 C   0  0
    2.0333   -5.4186    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.8111   -4.6641    0.0000 C   0  0
    3.9296   -5.8777    0.0000 O   0  0
    6.3036   -4.8212    0.0000 N   0  0
    6.9148   -6.1919    0.0000 C   0  0
    8.4063   -6.3511    0.0000 C   0  0
    9.0143   -7.7224    0.0000 C   0  0
    8.1308   -8.9345    0.0000 C   0  0
    6.6392   -8.7754    0.0000 C   0  0
    6.0312   -7.4042    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
  5 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
 17 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 25 32  1  0
 32  4  2  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12317

> <plate>
PLATE 018

> <well>
A7

> <supplier_cmpd_name>
Atorvastatin Calcium

> <ctcr_id>
4876

> <supplier_cmpd_id>
T3116

> <smiles>
CC(C)c1n(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c2ccc(F)cc2)c(c3ccccc3)c1C(=O)Nc4ccccc4

> <pd_targets>
{HMGCR,HDAC2,HDAC1,HDAC6,CYP3A4,ABCC4,ABCB11,SLCO1B3,SLCO1B1,ABCC3,DPP4,AHR}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transporter,"Transcription factor",Oxidoreductase,Eraser,Protease,"Cytochrome P450","Primary active transporter","Electrochemical transporter","Histone deacetylase","Cys
teine protease","Cytochrome P450 family 3","ATP-binding cassette","SLC superfamily of solute carriers","Serine protease","HDAC class I","HDAC class IIb","Cysteine protease CA clan","Cytochrome P450 fa
mily 3A","ABCC subfamily","ABCB subfamily","SLC21/SLCO family of organic anion transporting polypeptides","Serine protease SC clan","Cysteine protease C1A family","Cytochrome P450 3A4","Serine proteas
e S9B subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Other protein targets","Lanosterol biosynthesis pathway","Chromatin modifying enzymes","Cytochrome P450","ATP-binding cassette transporter family","SLC superfamily of solute car
riers","Peptidases and proteinases","Aryl hydrocarbon receptor","3.5.1.- Histone deacetylases (HDACs)","CYP3 family","ABCC subfamily","ABCB subfamily","SLCO family of organic anion transporting polype
ptides","SC: Serine (S) Peptidases","S9: Prolyl oligopeptidase"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)",Disease,Hemostasis,"Metabolism of proteins","Metabolism of lipids","RNA Polymerase II Transcription","Disorders of Developmental Biology","Platelet activa
tion","signaling and aggregation","Peptide hormone metabolism","Biological oxidations","Metabolism of steroids","Generic Transcription Pathway","Disorders of Nervous System Development","Biosynthesis 
of specialized proresolving mediators (SPMs)","Response to elevated platelet cytosolic Ca2+","Incretin synthesis",secretion,"and inactivation","Phase I - Functionalization of compounds","Regulation of
 cholesterol biosynthesis by SREBP (SREBF)","Transcriptional Regulation by TP53","Pervasive developmental disorders","Transcriptional regulation by RUNX2","Biosynthesis of DHA-derived SPMs","Platelet 
degranulation","Bile acid and bile salt metabolism",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Cytochrome P450 - arranged by substrate type","Activation of gene expression by SRE
BF (SREBP)","Regulation of TP53 Activity","Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone development","Biosynthesis of maresins","Synthesis of bile acids and bile salts","Recycling
 of bile acids and salts","Endogenous sterols","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast differentiation","Biosynthesis o
f maresin-like SPMs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{AHR,DPP4,HMGCR}

> <broad_moa>
{"HMGCR inhibitor"}

> <synonyms>
{Atorcor,Atorlip,Lipilou,Lipinon,atorvastatin,134523-00-5,134523005,Cardyl,Lipitor,"ATORVASTATIN CALCIUM",Torvast,UNII-A0JWA85V8F,UNIIA0JWA85V8F,110862-48-1,110862481,"CI 981","Lipitor (TN)",Tozalip,X
avator,A0JWA85V8F,CHEMBL1487,CHEBI:39548,"134523-00-5 (free acid)","134523005 (free acid)",134523-03-8,134523038,Prestw-1232,Atorvastatin}

> <pdid>
PD013106

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60823}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -5.2011    2.9977    0.0000 O   0  0
   -6.4964    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22  8  1  0
 22 23  2  0
 23 12  1  0
 23 17  1  0
 15 24  1  0
 24 25  1  0
 24 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12318

> <plate>
PLATE 018

> <well>
A8

> <supplier_cmpd_name>
Marbofloxacin

> <ctcr_id>
3158

> <supplier_cmpd_id>
T3117

> <smiles>
CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN4N(C)COc2c34)C(O)=O

> <pd_targets>
{KDM4E,SKA}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Kinase,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{Marbofloxacin,115550-35-1,115550351,Zeniquin,Marbocyl,UNII-8X09WU898T,UNII8X09WU898T,8X09WU898T,MFCD00864820,NCGC00166310-01,NCGC0016631001,DSSTox_CID_26600,DSSToxCID26600,DSSTox-CID-26600,"DSSTox CI
D 26600",DSSTox_RID_81755,DSSToxRID81755,DSSTox-RID-81755,"DSSTox RID 81755",DSSTox_GSID_46600,DSSToxGSID46600,DSSTox-GSID-46600,"DSSTox GSID 46600","Marbofloxacine (INN-French)","Marbofloxacine (INNF
rench)","Marbofloxacinum (INN-Latin)","Marbofloxacinum (INNLatin)","Marbofloxacino (INN-Spanish)","Marbofloxacino (INNSpanish)",CAS-11,CAS11,T3117,S1464}

> <pdid>
PD000127

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{1616426,60651}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 10  0  0  0  0            999 V2000
   10.2999    1.1254    0.0000 Cl  0  5
    3.9000    2.2500    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    0.0007    0.0004    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    5.2000    0.0000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 N   0  0
    7.7992    0.0004    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  3  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
M  CHG  2   1  -1   5   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12319

> <plate>
PLATE 018

> <well>
A9

> <supplier_cmpd_name>
Bethanechol chloride

> <ctcr_id>
5050

> <supplier_cmpd_id>
T3126

> <smiles>
[Cl-].CC(C[N+](C)(C)C)OC(N)=O

> <pd_targets>
{CHRM2,LMNA,MAPT,CHRM1,CHRM3,CHRM4,CHRM5,GPM2,GPM3,TSHR}

> <pathway_gtopdb>
{"Membrane receptor","Other nuclear protein","Other cytosolic protein","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Monoamine rec
eptor","Glycohormone receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Neuronal System",Disease,"Signaling by GPCR",Mitotic,"Transmission across Chemical Synapses","Infectious disease","GPCR ligand binding","M Phase","Neurotransmitter
 receptors and postsynaptic signal transmission","Leishmania infection","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","
Leishmania parasite growth and survival","Amine ligand-binding receptors","Mitotic Anaphase","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania parasite infection"
,"Muscarinic acetylcholine receptors","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Enve
lope (NE) Reformation"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{"Bethanechol chloride",590-63-6,590636,Urecholine,Myocholine,"Carbamyl-beta-methylcholine chloride","Carbamylbetamethylcholine chloride",Besacholine,Mechotane,Mechothane,Mecothane,Mictone,Mictrol,Duv
oid,"Bethanechol (chloride)",Uro-Carb,UroCarb,"Urecholine chloride","Carbamylmethylcholine chlori",T3126,S2455,SAM002548931,1500146,Prestw-1073,CPD000058680,"BETHANECHOL CHLORIDE"}

> <pdid>
PD009590

> <targets>
{AChR,mAChR}

> <classes>
{cholinergic,Neuronal Signaling,GPCR/G Protein}

> <pubchem_cids>
{11548}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 40  0  0  1  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 C   0  0  1  0  0  0
   -5.3229    1.2135    0.0000 C   0  0  1  0  0  0
   -5.7863    2.6401    0.0000 C   0  0
   -6.2045    0.0000    0.0000 O   0  0
   -5.3229   -1.2135    0.0000 C   0  0
   -5.7862   -2.6402    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0  1  0  0  0
   -2.6012    3.0008    0.0000 C   0  0
   -3.9020    3.7494    0.0000 C   0  0
   -3.9051    5.2502    0.0000 C   0  0
   -5.2041    6.0003    0.0000 C   0  0
   -5.2042    7.5003    0.0000 C   0  0
   -3.9052    8.2503    0.0000 C   0  0
   -2.6061    7.5003    0.0000 C   0  0
   -2.6061    6.0003    0.0000 N   0  0
   -3.9052    9.7510    0.0000 C   0  0
   -5.2031   10.5032    0.0000 C   0  0
   -5.2007   12.0032    0.0000 C   0  0
   -3.9005   12.7512    0.0000 C   0  0
   -2.6027   11.9991    0.0000 C   0  0
   -1.3025   12.7471    0.0000 F   0  0
   -2.6050   10.4991    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
 10  9  1  6
 10 11  1  0
 11 12  1  1
 12  7  1  0
 11 13  1  0
 14 13  1  1
 15 14  1  1
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 15 21  1  0
 21 10  1  0
 21 22  1  1
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 36 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12320

> <plate>
PLATE 018

> <well>
A10

> <supplier_cmpd_name>
Vorapaxar sulfate

> <ctcr_id>
8192

> <supplier_cmpd_id>
T3098

> <smiles>
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c4ccc(cn4)c5cccc(F)c5

> <pd_targets>
{F2R}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Protease-activated receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Proteinase-activated receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors"}

> <broad_targets>
{F2R}

> <broad_moa>
{"thrombin inhibitor"}

> <synonyms>
{Vorapaxar,618385-01-6,618385016,Zontivity,"Sch 530348",SCH-530348,SCH530348,"Vorapaxar free base",UNII-ZCE93644N2,UNIIZCE93644N2,MK-5348,MK5348,CHEMBL493982,CHEBI:82702,ZCE93644N2,"705260-08-8 (sulfa
te)","705260088 (sulfate)","618385-01-6 (free base)","618385016 (free base)","Vorapaxar (USAN:INN)",an-6-yl)carbamate,an6yl)carbamate,Vorap,T7013,T3098,1755,S8067,"Vorapaxar sulfate",vorapaxar,"SCH 53
0348"}

> <pdid>
PD003611

> <targets>
{Protease-activated Receptor,Protease-Activated Receptor (PAR)}

> <classes>
{GPCR & G Protein,GPCR/G Protein}

> <pubchem_cids>
{10077130}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  0  0            999 V2000
    3.7993    1.3367    0.0000 Ca  0  2
   -2.0490   -1.1830    0.0000 C   0  0
   -0.7500   -0.4330    0.0000 C   0  0
    0.7500   -0.4330    0.0000 O   0  0
    0.0000    0.8660    0.0000 C   0  0
    0.0000    2.3561    0.0000 P   0  0
   -1.2993    3.1057    0.0000 O   0  5
   -0.0007    3.8561    0.0000 O   0  5
    1.2985    3.1069    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  3  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  2  0
M  CHG  3   1   2   7  -1   8  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12321

> <plate>
PLATE 018

> <well>
A11

> <supplier_cmpd_name>
Fosfomycin calcium

> <ctcr_id>
5506

> <supplier_cmpd_id>
T3131

> <smiles>
[Ca++].CC1OC1[P]([O-])([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{26016-98-8,26016988,"Phosphomycin calcium salt","calcium (3-methyloxiran-2-yl)phosphonate","calcium (3methyloxiran2yl)phosphonate",C3H5O4P.Ca,fosphomycin,NCGC00094949-01,NCGC0009494901,SPECTRUM150203
9,CHEMBL1363715,SCHEMBL21293791,HMS502O15,HMS1921F22,HMS2092P21,BCP28495,CCG-39697,CCG39697,AKOS015951252,NE13725,NCGC,T0170,T3131,1502039,"Fosfomycin calcium",FOSFOMYCIN}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5702189}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.2500   -0.5923    0.0000 S   0  0
   -4.9546    1.9903    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.3214    2.4906    0.0000 C   0  0
   -3.0655    4.4450    0.0000 C   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.1532    0.5134    0.0000 C   0  0
   -8.6524    0.4669    0.0000 C   0  0
   -9.4423    1.7421    0.0000 C   0  0
  -10.9424    1.6956    0.0000 C   0  0
  -12.4417    1.6491    0.0000 N   0  0
   -8.7329    3.0637    0.0000 C   0  0
   -7.2337    3.1102    0.0000 C   0  0
   -9.5233    4.3396    0.0000 C   0  0
  -11.0226    4.2941    0.0000 F   0  0
   -8.8135    5.6610    0.0000 F   0  0
  -10.3126    5.6152    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 12  1  0
 18 19  1  0
 18 20  1  0
 15 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  3  0
 24 27  1  0
 27 28  2  0
 28 21  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12322

> <plate>
PLATE 018

> <well>
B2

> <supplier_cmpd_name>
Enzalutamide

> <ctcr_id>
3700

> <supplier_cmpd_id>
T6002

> <smiles>
CNC(=O)c1ccc(cc1F)N2C(=S)N(C(=O)C2(C)C)c3ccc(C#N)c(c3)C(F)(F)F

> <pd_targets>
{AR}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 4"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX2","RUNX2 regulates bone development","RUNX2 regulates osteoblas
t differentiation"}

> <broad_targets>
{AR}

> <broad_moa>
{"androgen receptor antagonist"}

> <synonyms>
{Enzalutamide,915087-33-1,915087331,MDV3100,MDV-3100,"Enzalutamide (MDV3100)","MDV 3100",XTANDI,"MDV3100 (Enzalutamide)",UNII-93T0T9GKNU,UNII93T0T9GKNU,"MDV3100 Enzalutamide",93T0T9GKNU,CHEBI:68534,"E
nzalutamide (USAN:INN)",Enzalutamid,"Xtandi (TN)",144333,T6002,755605,S1250}

> <pdid>
PD004101

> <targets>
{Androgen Receptor,P450,Autophagy}

> <classes>
{Androgen Receptor Inhibitor,Endocrinology & Hormones,Autophagy,Others}

> <pubchem_cids>
{15951529}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 62 66  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   11.5957   -1.5000    0.0000 C   0  0
   10.2966   -0.7500    0.0000 C   0  0
   10.2966    0.7500    0.0000 C   0  0
    8.9976    1.5000    0.0000 C   0  0
    7.6985    0.7500    0.0000 C   0  0
    7.6985   -0.7500    0.0000 C   0  0
    8.9976   -1.5000    0.0000 C   0  0
    6.3988    1.5004    0.0000 S   0  0
    5.1000    0.7500    0.0000 O   0  0
    6.3978    3.0004    0.0000 O   0  0
    5.0994    2.2498    0.0000 O   0  0
   38.9032    2.6332    0.0000 C   0  0
   38.2885    1.2649    0.0000 S   0  0
   39.1665    0.0487    0.0000 O   0  0
   39.7808    1.4169    0.0000 O   0  0
   36.7953    1.1135    0.0000 C   0  0
   35.9168    2.3304    0.0000 C   0  0
   34.4237    2.1789    0.0000 N   0  0
   33.5452    3.3958    0.0000 C   0  0
   32.0546    3.2447    0.0000 C   0  0
   31.0526    4.3610    0.0000 O   0  0
   29.7002    3.7421    0.0000 C   0  0
   29.8358    2.2610    0.0000 C   0  0
   31.3025    1.9468    0.0000 C   0  0
   28.4006    4.4925    0.0000 C   0  0
   28.4005    5.9925    0.0000 C   0  0
   27.1015    6.7425    0.0000 C   0  0
   25.8025    5.9924    0.0000 C   0  0
   24.5034    6.7424    0.0000 N   0  0
   23.2044    5.9924    0.0000 C   0  0
   23.2044    4.4924    0.0000 N   0  0
   24.5034    3.7424    0.0000 C   0  0
   24.5004    2.2416    0.0000 N   0  0
   23.1995    1.4930    0.0000 C   0  0
   23.1943   -0.0070    0.0000 C   0  0
   21.8927   -0.7525    0.0000 C   0  0
   20.5962    0.0020    0.0000 C   0  0
   19.2954   -0.7466    0.0000 O   0  0
   19.2924   -2.2474    0.0000 C   0  0
   17.9916   -2.9960    0.0000 C   0  0
   17.9863   -4.4961    0.0000 C   0  0
   16.6847   -5.2416    0.0000 C   0  0
   15.3883   -4.4871    0.0000 C   0  0
   15.3934   -2.9872    0.0000 C   0  0
   14.0970   -2.2327    0.0000 F   0  0
   16.6950   -2.2416    0.0000 C   0  0
   20.6014    1.5020    0.0000 C   0  0
   19.3050    2.2565    0.0000 Cl  0  0
   21.9030    2.2475    0.0000 C   0  0
   25.8025    4.4924    0.0000 C   0  0
   27.1015    3.7424    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  8 10  2  0
  8 11  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 31  2  0
 33 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  1  0
 55 57  2  0
 57 51  1  0
 48 58  1  0
 58 59  1  0
 58 60  2  0
 60 45  1  0
 43 61  1  0
 61 39  1  0
 61 62  2  0
 62 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12323

> <plate>
PLATE 018

> <well>
B3

> <supplier_cmpd_name>
Lapatinib Ditosylate

> <ctcr_id>
2541

> <supplier_cmpd_id>
T6235

> <smiles>
Cc1ccc(cc1)[S](O)(=O)=O.Cc2ccc(cc2)[S](O)(=O)=O.C[S](=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4

> <pd_targets>
{AURKB,RET,ERBB2,EGFR,ABL1,ABCB11,PDGFRB,ERBB3,KCNH2,CYP3A5,CDK2,INSR,PIK3C2B,TUBA1A,SLK,KMT2A,MEN1,PI4KB,MAP2K5,STK10,MAP2K7,RIPK2,CYP3A4,PIK3C2G,ERBB4}

> <pathway_gtopdb>
{Enzyme,Transporter,"Ion channel","Structural protein","Epigenetic regulator",Kinase,"Primary active transporter","Voltage-gated ion channel","Cytochrome P450",Transferase,Reader,"Protein Kinase","ATP
-binding cassette","Potassium channels","Cytochrome P450 family 3",Bromodomain,"Other protein kinase group","TK protein kinase group","ABCB subfamily","Voltage-gated potassium channel","Cytochrome P45
0 family 3A","CMGC protein kinase group","STE protein kinase group","TKL protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase EGFR fami
ly","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","Cytochrome P450 3A5","CMGC protein kinase CDK family","Tyrosine protein kinase InsR family","STE protein kinase STE20 f
amily","STE protein kinase STE7 family","TKL protein kinase RIPK family","Cytochrome P450 3A4","CMGC protein kinase CDC2 subfamily","STE protein kinase SLK subfamily"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"Other protein targets","Catalytic receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x
.x)",Tubulins,"Receptor kinases","ABCB subfamily","Potassium channels","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","STE: Homologs of yeast Sterile 7","Steri
le 11","Sterile 20 kinases","Other protein kinases","TK: Tyrosine kinase","Voltage-gated potassium channels","Cyclin-dependent kinase (CDK) family","Phosphatidylinositol-4-phosphate 3-kinase family","
STE20 family","1-phosphatidylinositol 4-kinase family","STE7 family","TKL: Tyrosine kinase-like","Aurora kinase (Aur) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)"
,"CDK1 subfamily","SLK subfamily","Receptor interacting protein kinase (RIPK) family","Type XIV RTKs: RET","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Type III RTKs: PD
GFR",CSFR,Kit,"FLT3 receptor family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology","Signal Transduction",Disease,Metabolism,"Muscle contraction","Gene expression (Transcription)","Immune System","Neuronal System",Mitotic,"Nervous system developm
ent","Signaling by GPCR","Infectious disease","Metabolism of lipids","Intracellular signaling by second messengers","Cardiac conduction","Biological oxidations","RNA Polymerase II Transcription","Sign
aling by Receptor Tyrosine Kinases","Innate Immune System","Transmission across Chemical Synapses","M Phase","Axon guidance","GPCR downstream signalling","Leishmania infection","Metabolism of steroids
","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation","Phase I - Functionalization of compounds","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G2-G2/M phases","Signali
ng by NTRKs","Neutrophil degranulation","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Mit
otic Metaphase and Anaphase","RET signaling","Semaphorin interactions","G alpha (q) signalling events","Parasite infection","Bile acid and bile salt metabolism","Negative regulation of the PI3K/AKT ne
twork","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by TP53","PI Metabolism","G2/M Transition","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Biosynth
esis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Mitotic Anaphase","Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phag
ocytosis","Synthesis of bile acids and bile salts",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Xenobiotics,"Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Centrosome mat
uration","Synthesis of PIPs at the Golgi membrane","Signalling to ERK5","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Post NMDA receptor activation events","Separation of Si
ster Chromatids","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","Synthesis of bile acids and bile salts via 7alpha-hydroxycho
lesterol","Regulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","Biosynthesis of maresin-like 
SPMs","Long-term potentiation","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","activated
 TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"Lapatinib Ditosylate",388082-77-7,388082777,Tykerb,Tyverb,"Lapatinib (GW-572016) Ditosylate","Lapatinib (GW572016) Ditosylate","Lapatinib (ditosylate)",388082-78-8,388082788,UNII-4WK72K94MC,UNII4WK7
2K94MC,4WK72K94MC,"388082-77-7 (ditosylate)","388082777 (ditosylate)","Lapatinib Ditosylate (Tykerb, Tyverb, GW-572016)","Lapatinib Ditosylate (Tykerb, Tyverb, GW572016)",Tyker,T6235,T0078L,S1028,"Lap
atinib ditosylate monohydrate",lapatinib}

> <pdid>
PD003505

> <targets>
{EGFR(HER),HER2,EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{9941095}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  0  0            999 V2000
    9.6061   -0.9914    0.0000 Cl  0  0
    7.0592   -0.7054    0.0000 C   0  0
    5.9990   -1.7665    0.0000 O   0  0
    6.3872   -3.2163    0.0000 N   0  0
    5.3265   -4.2780    0.0000 C   0  0
    5.7190   -5.7266    0.0000 C   0  0
    4.6611   -6.7899    0.0000 O   0  0
    7.1696   -6.1118    0.0000 N   0  0
    7.5606   -7.5546    0.0000 C   0  0
    8.8583   -8.3022    0.0000 C   0  0
   10.3583   -8.3008    0.0000 S   0  0
   11.1095   -9.5991    0.0000 C   0  0
   10.3607  -10.8988    0.0000 C   0  0
    8.8607  -10.9002    0.0000 C   0  0
    8.1095   -9.6019    0.0000 N   0  0
    6.8118   -8.8543    0.0000 C   0  0
    5.3633   -9.2439    0.0000 O   0  0
    8.1142  -12.2022    0.0000 C   0  0
    8.8672  -13.4995    0.0000 O   0  0
    6.6142  -12.2062    0.0000 O   0  0
   11.1150  -12.1964    0.0000 C   0  0
   12.6158  -12.1928    0.0000 S   0  0
   13.3701  -13.4903    0.0000 C   0  0
   12.6236  -14.7914    0.0000 O   0  0
   14.8709  -13.4868    0.0000 C   0  0
   15.7361  -14.6965    0.0000 O   0  0
   17.1606  -14.2267    0.0000 C   0  0
   17.1540  -12.7267    0.0000 C   0  0
   15.7254  -12.2695    0.0000 C   0  0
    3.8759   -3.8928    0.0000 C   0  0
    3.3536   -2.5003    0.0000 C   0  0
    1.8560   -2.5852    0.0000 S   0  0
    1.4739   -4.0357    0.0000 C   0  0
    0.0758   -4.5792    0.0000 N   0  0
    2.7354   -4.8473    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 10  1  0
 15 16  1  0
 16  9  1  0
 16 17  2  0
 14 18  1  0
 18 19  2  0
 18 20  1  0
 13 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 25  2  0
  5 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12324

> <plate>
PLATE 018

> <well>
B4

> <supplier_cmpd_name>
Ceftiofur hydrochloride

> <ctcr_id>
7589

> <supplier_cmpd_id>
T6268

> <smiles>
Cl.CO\N=C(\C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSC(=O)c3occc3)/c4csc(N)n4

> <pd_targets>
{SLC22A8}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters","Organic anion transporters (OATs)"}

> <pathway_reactome>
{"Transport of small molecules","SLC-mediated transmembrane transport","Transport of bile salts and organic acids","metal ions and amine compounds","Organic cation/anion/zwitterion transport","Organic
 anion transport"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{"Ceftiofur hydrochloride",103980-44-5,103980445,AKOS015964042,AC-4348,AC4348,T6268,S2543,"Ceftiofur HCl"}

> <pdid>
PD014584

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{22042066}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2991    2.2500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8972    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.3400    4.4931    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.6243    1.0594    0.0000 C   0  0
   -7.4983    2.2785    0.0000 C   0  0
   -6.6089    3.4864    0.0000 C   0  0
   -7.0556    4.9191    0.0000 C   0  0
   -6.1316    6.0941    0.0000 C   0  0
   -6.6900    7.4863    0.0000 C   0  0
   -8.1749    7.6988    0.0000 C   0  0
   -9.1013    6.5191    0.0000 N   0  0
   -8.5429    5.1269    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 13  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 15 25  1  0
 25 10  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  3
 28  8  1  0
 28 29  1  0
 29  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12325

> <plate>
PLATE 018

> <well>
B5

> <supplier_cmpd_name>
Abiraterone Acetate

> <ctcr_id>
1614

> <supplier_cmpd_id>
T6215

> <smiles>
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4c5cccnc5)C3CC=C2C1

> <pd_targets>
{AR,CYP17A1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Nuclear receptor","Cytochrome P450","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 17","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 f
amily 17A","Nuclear hormone receptor subfamily 3 group C member 4","Cytochrome P450 17A1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","Steroid hormone receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Metabolism of lipids","Generic Transcription Pathway","Metabolism of steroids","Transcriptional regulation by RUNX2","M
etabolism of steroid hormones","RUNX2 regulates bone development","Androgen biosynthesis","RUNX2 regulates osteoblast differentiation"}

> <broad_targets>
{CYP17A1}

> <broad_moa>
{"androgen biosynthesis inhibitor"}

> <synonyms>
{"Abiraterone  Acotate","17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate","17(pyridin3yl)androsta5,16dien3yl acetate",SCHEMBL15915331,BBL036322,STL454226,NCGC00389390-01,NCGC0038939001,AS-13837,AS138
37,DB-064027,DB064027,FT-0660946,FT0660946,J10408,S2246,"Abiraterone Acetate"}

> <pdid>
PD012199

> <targets>
{"P450 (e.g. CYP17)"}

> <classes>
{Metabolism}

> <pubchem_cids>
{19961652}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 S   0  0
   -4.9546    1.9903    0.0000 C   0  0  2  0  0  0
   -6.4447    1.8344    0.0000 C   0  0
   -7.3266    3.0478    0.0000 O   0  0
   -3.9492    0.8772    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  8  9  1  0
 10  6  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  1
 14 15  1  0
 13 16  1  0
 16 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12326

> <plate>
PLATE 018

> <well>
B6

> <supplier_cmpd_name>
Emtricitabine

> <ctcr_id>
7394

> <supplier_cmpd_id>
T6214

> <smiles>
NC1=NC(=O)N(C=C1F)[C@@H]2CS[C@H](CO)O2

> <pd_targets>
{ALB,POL}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of steroids","Bile acid and bile salt metabolism","Recycling of bile acids and salts"}

> <broad_targets>
{}

> <broad_moa>
{"nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{Emtricitabine,143491-57-0,143491570,Emtriva,Coviracil,(-)-FTC,()FTC,524W91,BW-524W91,BW524W91,Racivir,(-)-2'-Deoxy-5-fluoro-3'-thiacytidine,()2'Deoxy5fluoro3'thiacytidine,UNII-G70B4ETF4S,UNIIG70B4ETF
4S,"BW 524W91",143491-54-7,143491547,"(-)-beta-2',3'-dideoxy-5-fluoro-3'-thiacytidine","()beta2',3'dideoxy5fluoro3'thiacytidine",CHEBI:31536,FTC-(-),FTC(),FTC,5-Fluoro-1,5Fluoro1,T6214,S1704}

> <pdid>
PD009667

> <targets>
{"Reverse Transcriptase"}

> <classes>
{}

> <pubchem_cids>
{60877}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 43 49  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 N   0  0
    2.4134    4.4924    0.0000 C   0  0
    3.9053    4.6489    0.0000 O   0  0
    1.5317    5.7059    0.0000 C   0  0
    0.0400    5.5491    0.0000 C   0  0
   -0.5701    4.1788    0.0000 C   0  0
    0.3114    2.9665    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0049   -5.9994    0.0000 C   0  0
    1.3026   -5.2471    0.0000 O   0  0
    0.0080   -7.5002    0.0000 N   0  0
    1.3070   -8.2503    0.0000 C   0  0
    1.3071   -9.7503    0.0000 C   0  0
    0.0081  -10.5003    0.0000 C   0  0
   -1.2910   -9.7503    0.0000 C   0  0
   -1.2910   -8.2503    0.0000 C   0  0
    0.0081  -12.0011    0.0000 N   0  0
    1.3060  -12.7532    0.0000 C   0  0
    1.3036  -14.2532    0.0000 C   0  0
    0.0034  -15.0012    0.0000 C   0  0
   -1.2944  -14.2491    0.0000 C   0  0
   -1.2921  -12.7491    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8417    6.7626    0.0000 C   0  0
   -1.4181    5.3777    0.0000 O   0  0
   -1.6822    7.9814    0.0000 C   0  0
   -3.1799    7.8988    0.0000 C   0  0
   -0.2316    8.1329    0.0000 C   0  0
   -1.1133    9.3464    0.0000 O   0  0
    1.2601    8.2897    0.0000 O   0  0
    2.1418    7.0762    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12  6  1  0
 12 13  1  0
 13  4  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 18 34  1  0
 34 35  2  0
 35  3  1  0
 35 15  1  0
 10 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 36 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 43  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12327

> <plate>
PLATE 018

> <well>
B7

> <supplier_cmpd_name>
Irinotecan

> <ctcr_id>
5530

> <supplier_cmpd_id>
T6228

> <smiles>
CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)C(O)(CC)C(=O)OC4

> <pd_targets>
{RMLC,NCOA1,NCOA3,HPGD,ALDH1A1,GLA,LMNA,KDM4E,HSD17B10,GAA,ACHE,MMP1,CYP3A4,PAX8,ADRA2C,SLC47A1,SLC22A3,SLC47A2,SLC22A1,CHRM4,SLC22A2,TOP1,TOP1MT}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other nuclear protein","Unclassified protein","Membrane receptor",Transporter,Isomerase,Writer,Oxidoreductase,Hydrolase,Eraser,Protease,"Cytochrome P450","Family A G pr
otein-coupled receptor","Electrochemical transporter","Histone acetyltransferase","Lysine demethylase","Cysteine protease","Metallo protease","Cytochrome P450 family 3","Small molecule receptor (famil
y A GPCR)","SLC superfamily of solute carriers","SRC family","Jumonji domain-containing","Cysteine protease CA clan","Metallo protease MAM clan","Cytochrome P450 family 3A","Monoamine receptor","SLC47
 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Cysteine protease C1A family","Metallo protease M10A subfamily","Cytochrome P450 3A4","A
drenergic receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","Eicosanoid turnover","3.2.1.- Glycosidases","Acetylcholine turnover","Peptidases and proteinases","Cytochrome P450","G protein-coupled re
ceptors","SLC superfamily of solute carriers","DNA topoisomerases","2.3.1.48 Histone acetyltransferases (HATs)","Prostaglandin synthases","1.14.11.- Histone demethylases","MA: Metallo (M) Peptidases",
"CYP3 family",Adrenoceptors,"SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Acetylcholine receptors (muscarinic)","M10: Matrix met
allopeptidase","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Immune System","Signal Transduction","Transport of small molecules","Metabolism of proteins","Metabolism of lipids","Biological oxidations",Mitotic,"Metabolism of ami
no acids and derivatives","Diseases of metabolism","Cytokine Signaling in Immune system","Signaling by GPCR","SLC-mediated transmembrane transport","Post-translational protein modification","Metabolis
m of steroids","Regulation of lipid metabolism by PPARalpha","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Sphingolipid metabolism","M Phase",
"Branched-chain amino acid catabolism","Diseases of carbohydrate metabolism","Phospholipid metabolism","Signaling by Interleukins","GPCR ligand binding","Transport of bile salts and organic acids","me
tal ions and amine compounds",SUMOylation,"Bile acid and bile salt metabolism","PPARA activates gene expression","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Glycosphingolipid metabolism","
Mitotic Metaphase and Anaphase","Glycogen storage diseases","Glycerophospholipid biosynthesis","Interleukin-4 and Interleukin-13 signaling","Class A/1 (Rhodopsin-like receptors)","Organic cation/anion
/zwitterion transport","SUMO E3 ligases SUMOylate target proteins","Synthesis of bile acids and bile salts","Biosynthesis of D-series resolvins","Mitotic Anaphase","Glycogen storage disease type II (G
AA)","Synthesis of PC","Biosynthesis of maresins","Amine ligand-binding receptors","Organic cation transport","SUMOylation of DNA replication proteins","Synthesis of bile acids and bile salts via 27-h
ydroxycholesterol","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{LSM-4269,LSM4269,CHEMBL10456,SCHEMBL12313065,CHEBI:93762,STL483712,AKOS037483529,NCGC00167833-01,NCGC0016783301,FT-0602416,FT0602416,Q27165452,T6228,S1198,Irinotecan}

> <pdid>
PD009733

> <targets>
{Topoisomerase}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{3750}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 36  0  0  0  0            999 V2000
    1.2906   -5.2520    0.0000 C   0  0
    1.2941   -3.7520    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2973   -2.2519    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5989    1.5003    0.0000 C   0  0
   -3.8987    2.2073    0.0000 C   0  0
   -3.9004    3.7073    0.0000 C   0  0
   -2.6022    4.4587    0.0000 C   0  0
   -1.3023    3.7102    0.0000 C   0  0
   -1.3006    2.2102    0.0000 C   0  0
   -3.8974    0.7469    0.0000 C   0  0
   -3.8943   -0.7531    0.0000 C   0  0
   -5.1918   -1.5058    0.0000 C   0  0
   -6.4924   -0.7585    0.0000 C   0  0
   -7.7921   -1.5090    0.0000 O   0  0
   -9.0923   -0.7594    0.0000 C   0  0
   -9.0929    0.7406    0.0000 C   0  0
   -7.7687    0.0079    0.0000 C   0  0
   -7.7704    1.5079    0.0000 C   0  0
  -10.3921   -1.5099    0.0000 C   0  0
  -10.3915   -3.0099    0.0000 O   0  0
  -11.6916   -0.7607    0.0000 O   0  0
   -6.4955    0.7415    0.0000 C   0  0
   -5.1980    1.4942    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 12 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 23 27  1  0
 27 28  1  0
 27 29  2  0
 21 30  1  0
 30 31  2  0
 31 18  1  0
  3 32  1  0
 32 33  1  0
 32 34  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12328

> <plate>
PLATE 018

> <well>
B8

> <supplier_cmpd_name>
Clinofibrate

> <ctcr_id>
6498

> <supplier_cmpd_id>
T6450

> <smiles>
CCC(C)(Oc1ccc(cc1)C2(CCCCC2)c3ccc(OC(C)(CC)C(O)=O)cc3)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{LPL}

> <broad_moa>
{"lipase clearing factor inhibitor"}

> <synonyms>
{clinofibrate,30299-08-2,30299082,Lipoclin,S-8527,S8527,UNII-0374EZJ8CU,UNII0374EZJ8CU,"butanoic acid, 2,2'-(cyclohexylidenebis(4,1-phenyleneoxy))bis(2-methyl-","butanoic acid, 2,2'(cyclohexylidenebis
(4,1phenyleneoxy))bis(2methyl",0374EZJ8CU,C28H36O6,NCGC00167453-01,NCGC0016745301,NCGC00167453-02,NCGC0016745302,DSSTox_CID_26638,DSSToxCID26638,DSSTox-CID-26638,"DSSTox CID 26638",DSSTox_RID_81784,DS
SToxRID81784,DSSTox-RID-81784,"DSSTox RID 81784",DSSTox_GSID_46638,DSSToxGSID46638,DSSTox-GSID-46638,"DSSTox GSID 46638",Clinofibrato,T6450,S2664,Clinofibrate}

> <pdid>
PD010896

> <targets>
{RAAS,Autophagy,HMG-CoA Reductase (HMGCR)}

> <classes>
{Endocrinology & Hormones,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{2787}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 C   0  0
   -9.0905   -0.7779    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 N   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0707   -5.2796    0.0000 C   0  0
  -10.3671   -6.0341    0.0000 C   0  0
  -11.6687   -5.2886    0.0000 C   0  0
  -12.9652   -6.0432    0.0000 C   0  0
  -11.6740   -3.7886    0.0000 C   0  0
  -12.9748   -3.0401    0.0000 N   0  0
  -12.9779   -1.5393    0.0000 C   0  0
  -14.2769   -0.7892    0.0000 N   0  0
  -14.2770    0.7108    0.0000 C   0  0
  -12.9780    1.4608    0.0000 C   0  0
  -11.6789    0.7109    0.0000 C   0  0
  -11.6789   -0.7891    0.0000 N   0  0
  -10.3792    1.4613    0.0000 C   0  0
  -10.3768    2.9613    0.0000 C   0  0
   -9.0766    3.7093    0.0000 C   0  0
   -7.7787    2.9573    0.0000 C   0  0
   -7.7811    1.4573    0.0000 N   0  0
   -9.0813    0.7093    0.0000 C   0  0
  -10.3776   -3.0341    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 23 37  2  0
 37 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12329

> <plate>
PLATE 018

> <well>
B9

> <supplier_cmpd_name>
Imatinib

> <ctcr_id>
1820

> <supplier_cmpd_id>
T6230

> <smiles>
CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3

> <pd_targets>
{S,MAPK10,FYN,CLK1,CLK4,MAPK8,PDGFRA,DDR1,BRAF,ABL1,BCR,PDGFRB,FGR,GAK,LCK,MELK,KIT,SYK,CA7,NQO2,CDK19,KARS1,KDR,LMNA,FRK,TYK2,CA12,CA2,PLK2,PLK4,CA13,CA15,IRAK1,EPHA8,CYP3A4,ABL2,MAPK9,SRC,ABCB11,STK
17A,RAF1,DDR2,TNNI3K,MAP3K20,LYN,CSF1R,EGFR,MAPK14,CA9,CA4,CA5B,PIP4K2C,BLK,CA3,CA14,ALB,ABCB1,CA6,CA1,FLT3,CA5A,HIPK4,MAPK11,MAPK12,MAPK13,REP,RORC,TAOK1,RAD52,HRH2,SLC47A2,SLC22A3,ABCG2,SLC6A4,TBXAS
1,SLC47A1,SLC22A2,HTR2A,RET,NTRK1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transporter,"Secreted protein","Transcription factor","Membrane receptor",Kinase,Protease,Lyase,Oxidoreductase,"Cytochrome P450","Primary active transporter",Transferas
e,"Nuclear receptor","Family A G protein-coupled receptor","Electrochemical transporter","Protein Kinase","Cysteine protease","Cytochrome P450 family 3","ATP-binding cassette","Nuclear hormone recepto
r subfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 5","CMGC protein kinase group","TK protein kinase group","TKL protein kinase group
","Atypical protein kinase group","Cysteine protease CA clan","Other protein kinase group","CAMK protein kinase group","Cytochrome P450 family 3A","ABCB subfamily","Nuclear hormone receptor subfamily 
1 group F","STE protein kinase group","Monoamine receptor","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","ABCG subfamily","SLC06 
neurotransmitter transporter family","Cytochrome P450 family 5A","CMGC protein kinase MAPK family","Tyrosine protein kinase Src family","CMGC protein kinase CLK family","Tyrosine protein kinase PDGFR 
family","Tyrosine protein kinase DDR family","TKL protein kinase RAF family","Atypical protein kinase BCR family","Cysteine protease C1A family","Tyrosine protein kinase Abl family","Other protein kin
ase NAK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Syk family","CMGC protein kinase CDK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase JakA family","O
ther protein kinase PLK family","TKL protein kinase IRAK family","Tyrosine protein kinase Eph family","Cytochrome P450 3A4","CAMK protein kinase DAPK family","TKL protein kinase MLK family","Tyrosine 
protein kinase EGFR family","CMGC protein kinase DYRK family","Nuclear hormone receptor subfamily 1 group F member 3","STE protein kinase STE20 family","Histamine receptor","Cytochrome P450 5A1","Sero
tonin receptor","Tyrosine protein kinase Trk family","CMGC protein kinase JNK subfamily","Tyrosine protein kinase SrcA","CAMK protein kinase MELK subfamily","CMGC protein kinase CDK8 subfamily","Other
 protein kinase PLK2","TKL protein kinase HH498 subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase TAO subfamily
"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,Transporters,"Anti-infective targets","Kinases (EC 2.7.x.x)","Catalytic receptors","Carbonic anhydrases","Cytochrome P450","ATP-binding cassette transporter 
family","Nuclear hormone receptors","G protein-coupled receptors","SLC superfamily of solute carriers","Viral protein targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CAMK:
 Calcium/calmodulin-dependent protein kinases","CYP3 family","ABCB subfamily","Lipid modifying kinases","1F. Retinoic acid-related orphans","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 
kinases","Histamine receptors","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","ABCG subfamily","SLC6 neurotransmitter transporter 
family",CYP5,"CYP7 and CYP8 families","5-Hydroxytryptamine receptors",Atypical,"Coronavirus (CoV) proteins","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","CLK family","TKL: T
yrosine kinase-like","Other protein kinases","CAMK-like (CAMKL) family","Cyclin-dependent kinase (CDK) family","Death-associated kinase (DAPK) family","Type II PIP kinases (1-phosphatidylinositol-5-ph
osphate 4-kinase family)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE20 family","Organic cation transporters (OCT)","Monoamine transporter subfamily","BCR famil
y","JNK subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","RAF family","Numb-associated kinase (NAK) family","MELK subfamily","CDK8 subfamily","Polo-like kinase (PL
K) family","Interleukin-1 receptor-associated kinase (IRAK) family","Mixed Lineage Kinase (MLK) family","p38 subfamily","HIPK subfamily","TAO subfamily","Src family","Type III RTKs: PDGFR",CSFR,Kit,"F
LT3 receptor family","Type XVI RTKs: DDR (collagen receptor) family","Abl family","Syk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Janus kinase (JakA) family","T
ype XIII RTKs: Ephrin receptor family","HH498 subfamily","MLK subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family"}

> <pathway_reactome>
{Disease,"Immune System","Extracellular matrix organization","Signal Transduction","Vesicle-mediated transport",Metabolism,"Metabolism of proteins","Cell Cycle","Transport of small molecules","Develop
mental Biology","Gene expression (Transcription)","Cellular responses to external stimuli","DNA Repair","Neuronal System","Infectious disease","Innate Immune System","Diseases of signal transduction b
y growth factor receptors and second messengers","Non-integrin membrane-ECM interactions","Signaling by Receptor Tyrosine Kinases","Membrane Trafficking","Intracellular signaling by second messengers"
,"Reversible hydration of carbon dioxide","Biological oxidations","Metabolism of lipids",Translation,Mitotic,"Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","Nervous system dev
elopment","MAPK family signaling cascades","RNA Polymerase II Transcription","Signaling by GPCR","Cellular responses to stress","Abacavir transport and metabolism","DNA Double-Strand Break Repair","SL
C-mediated transmembrane transport","Transmission across Chemical Synapses","SARS-CoV Infections","Toll-like Receptor Cascades","HIV Infection","Signaling by PDGFR in disease","Signaling by NTRKs","Le
ishmania infection","trans-Golgi Network Vesicle Budding","Signaling by KIT in disease","PIP3 activates AKT signaling","Phase I - Functionalization of compounds","Regulation of lipid metabolism by PPA
Ralpha","tRNA Aminoacylation","Signaling by VEGF","M Phase","Interferon Signaling","Erythrocytes take up carbon dioxide and release oxygen","Mitotic G2-G2/M phases","Axon guidance","Biosynthesis of sp
ecialized proresolving mediators (SPMs)","Metabolism of steroids","MAPK1/MAPK3 signaling","Generic Transcription Pathway","GPCR downstream signalling","Cellular response to hypoxia","Abacavir transmem
brane transport","Signaling by Interleukins","Signaling by Insulin receptor","Homology Directed Repair","Transport of bile salts and organic acids","metal ions and amine compounds","Neurotransmitter c
learance","GPCR ligand binding","Signaling by FGFR in disease","SARS-CoV-1 Infection","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Drug resistance of PDGFR mutants","Signa
ling by NTRK1 (TRKA)","Parasite infection","Leishmania parasite growth and survival","Golgi Associated Vesicle Biogenesis","Drug resistance of KIT mutants","Negative regulation of the PI3K/AKT network
","PPARA activates gene expression","Cytosolic tRNA aminoacylation","VEGFA-VEGFR2 Pathway","Mitotic Metaphase and Anaphase","PTEN Regulation","Interferon alpha/beta signaling","G2/M Transition","EPH-E
phrin signaling","Biosynthesis of DHA-derived SPMs","Signaling by ROBO receptors","Bile acid and bile salt metabolism","RAF/MAP kinase cascade","Transcriptional Regulation by VENTX","G alpha (q) signa
lling events","Regulation of gene expression by Hypoxia-inducible Factor","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX1","Interleukin-12 family signaling","Insulin receptor
 signalling cascade","Transcriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Organic cation/anion/zwitterion transport","Serotonin clearanc
e from the synaptic cleft","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Signaling by FGFR1 in disease","Translation of structural proteins","MyD88 cascade ini
tiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Imatinib-resistant PDGFR mutants","Signalling to ERKs","Leishmania phagocytosis","Anti-inflammatory response
 favouring Leishmania parasite infection","Dasatinib-resistant KIT mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","VEGFR2 mediated cell proliferation","Mitotic Anaphase","Regulation of PTEN
 stability and activity","Regulation of IFNA signaling","Centrosome maturation","EPHA-mediated growth cone collapse","Biosynthesis of maresins","Role of ABL in ROBO-SLIT signaling","Synthesis of bile 
acids and bile salts","Negative regulation of MAPK pathway","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of TP53 Activity","RUNX1 regulates transcription of genes involved in BCR sig
naling","Recycling of bile acids and salts","Interleukin-12 signaling","IRS-mediated signalling","SARS-CoV-1 Genome Replication and Transcription","RUNX3 Regulates Immune Response and Cell Migration",
"HDR through Single Strand Annealing (SSA)","Organic cation transport",Eicosanoids,"Amine ligand-binding receptors","FGFR1 mutant receptor activation","Maturation of spike protein","MAP kinase activat
ion","Nef and signal transduction","Prolonged ERK activation events","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 synthesis","Nef-mediates down modulation of cell surface receptors by recruiti
ng them to clathrin adapters","Nuclear Envelope (NE) Reassembly","CD163 mediating an anti-inflammatory response","Loss of proteins required for interphase microtubule organization from the centrosome"
,"Biosynthesis of maresin-like SPMs","Signalling to RAS","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Negative feedback regulation of MAPK pathway","EGFR Transactivation by 
Gastrin","Regulation of TP53 Activity through Acetylation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","PI3K Cascade","Replication of the SARS-CoV-1 genome","S
eparation of Sister Chromatids","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors","Signaling by cytosolic FGFR1 fusion mutants","MAPK targets/ Nuclear events mediated by 
MAP kinases","ARMS-mediated activation","Nef Mediated CD4 Down-regulation","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK ac
tivation","p38MAPK events","PI5P Regulates TP53 Acetylation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,CSF1R,DDR1,KIT,NTRK1,PDGFRA,PDGFRB,RET}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{Imatinib,152459-95-5,152459955,STI571,Glivec,"Imatinib (STI571)",sti-571,sti571,"Imatinib free base","Cgp 57148","STI 571",UNII-BKJ8M8G5HI,UNIIBKJ8M8G5HI,"Imatinib Methansulfonate",CGP-57148,CGP57148
,"152459-95-5 (free base)","152459955 (free base)",BKJ8M8G5HI,CHEMBL941,CHEBI:45783,NSC743414,"Imatinib (INN:BAN",T6230,743414,S2475,Prestw-1290,"NSC 743414",imatinib,Imatinib(STI571),IMATINIB,"Imatin
ib mesylate"}

> <pdid>
PD001319

> <targets>
{c-Kit,KIT,ABL,VEGFR-PDGFR,PDGFR}

> <classes>
{"Tyrosine kinase inhibitor"}

> <pubchem_cids>
{5291}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8994    3.7477    0.0000 N   0  0
   -5.1981    2.9954    0.0000 C   0  0
   -6.4998    3.7409    0.0000 C   0  0
   -7.7962    2.9864    0.0000 C   0  0
   -7.7910    1.4864    0.0000 C   0  0
   -6.4894    0.7409    0.0000 C   0  0
   -5.1930    1.4954    0.0000 N   0  0
   -9.0881    0.7315    0.0000 N   0  0
  -10.3910    1.4749    0.0000 C   0  0
  -11.6862    0.7183    0.0000 C   0  0
  -11.6787   -0.7816    0.0000 N   0  0
  -10.3758   -1.5251    0.0000 C   0  0
   -9.0806   -0.7685    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 C   0  0
   -4.9530   -1.9978    0.0000 C   0  0
   -4.2010   -3.2957    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 10 24  1  0
 24 25  2  0
 25  7  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 27  1  0
 26 32  1  0
 32  4  1  0
 32 33  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12330

> <plate>
PLATE 018

> <well>
B10

> <supplier_cmpd_name>
Palbociclib hydrochloride

> <ctcr_id>
3109

> <supplier_cmpd_id>
T6239

> <smiles>
CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O

> <pd_targets>
{DAPK3,CHEK1,CLK4,LRRK2,CCND1,CCND2,CCND3,CDK4,FLT3,CDK6,CDK9,PRKX,NEK2,PRKD3,MAP4K5,CCNT1,CDK2,JAK3,CLK2,MST1R,PRKAA1,MAP4K4,DYRK1A,DYRK1B,TAOK1,CDK5,RPS6KA3,MAPK9,CCNA2,MAP4K2,ROCK2,PAK4,ALK,RET,MET
,MAPK8,CCNB1,CDK1,CCNE1,TTK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CMGC protein kinase group","TKL protein kinase group","TK protein kinase group","AGC protein kinase group","Other protein kinase group","ST
E protein kinase group","CAMK protein kinase DAPK family","CAMK protein kinase CAMK1 family","CMGC protein kinase CLK family","TKL protein kinase LRRK family","Tyrosine protein kinase PDGFR family","C
MGC protein kinase CDK family","AGC protein kinase PKA family","Other protein kinase NEK family","CAMK protein kinase PKD family","STE protein kinase STE20 family","Tyrosine protein kinase JakA family
","Tyrosine protein kinase Met family","CMGC protein kinase DYRK family","AGC protein kinase RSK family","CMGC protein kinase MAPK family","AGC protein kinase DMPK family","TKL protein kinase STKR fam
ily","Tyrosine protein kinase Ret family","Other protein kinase TTK family","CAMK protein kinase CHK1 subfamily","CMGC protein kinase CDK9 subfamily","STE protein kinase KHS subfamily","CMGC protein k
inase CDC2 subfamily","CAMK protein kinase AMPK subfamily","STE protein kinase MSN subfamily","CMGC protein kinase Dyrk1 subfamily","STE protein kinase TAO subfamily","CMGC protein kinase CDK5 subfami
ly","AGC protein kinase RSK subfamily","CMGC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily","STE protein kinase PAKB subfamily","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","AGC: Containing
 PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Death-associated kinase (DAPK) family","CAMK-like (CAMKL) family","CLK family","TKL: Tyrosine kinase-like
","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","Protein kinase A (PKA) family","Other protein kinases","Protein kinase D (PKD) family","STE20 family","Dual-specificity tyrosine-(Y)-pho
sphorylation regulated kinase (DYRK) family","RSK family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","CHK1 subfamily","Leucine-rich repeat kinase (LRRK) family","Receptor tyrosine
 kinases (RTKs)","CDK4 subfamily","CDK9 subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","KHS subfamily","CDK1 subfamily","Non-receptor tyrosine kinases (nRTKs)","AMPK subfamil
y","MSN subfamily","Dyrk1 subfamily","TAO subfamily","CDK5 subfamily","RSK subfamily","JNK subfamily","Rho kinase","PAKB subfamily","TTK family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family",
"Janus kinase (JakA) family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIV RTKs: RET"}

> <pathway_reactome>
{"Programmed Cell Death","DNA Repair","Signal Transduction","Cell Cycle",Disease,Metabolism,"Gene expression (Transcription)","Immune System","Cellular responses to external stimuli","Developmental Bi
ology",Apoptosis,"DNA Double-Strand Break Repair","Signaling by Non-Receptor Tyrosine Kinases","Signaling by Receptor Tyrosine Kinases",Mitotic,"Infectious disease","Metabolism of lipids","RNA Polymer
ase II Transcription","Cytokine Signaling in Immune system","Cellular responses to stress","Innate Immune System","Nervous system development","Caspase activation via extrinsic apoptotic signalling pa
thway","Homology Directed Repair","Signaling by PTK6","Signaling by Insulin receptor","Mitotic G1 phase and G1/S transition","HIV Infection","Leishmania infection","Regulation of mitotic cell cycle","
Sphingolipid metabolism","Generic Transcription Pathway","Signaling by Interleukins","Signaling by MST1","Cellular Senescence","M Phase","Toll-like Receptor Cascades","Axon guidance","Caspase activati
on via Dependence Receptors in the absence of ligand","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","PTK6 promotes HIF1A stabilization","Insulin receptor signalling cas
cade","G1 Phase","HIV Life Cycle","Leishmania parasite growth and survival","APC/C-mediated degradation of cell cycle proteins","Sphingolipid de novo biosynthesis","Transcriptional Regulation by TP53"
,"Interleukin-2 family signaling","Oxidative Stress Induced Senescence","G0 and Early G1","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","Signaling by
 ROBO receptors","RET signaling","HDR through Homologous Recombination (HRR)","IRS-mediated signalling","Cyclin D associated events in G1","Late Phase of HIV Life Cycle","Anti-inflammatory response fa
vouring Leishmania parasite infection","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity","Interleukin-15 signaling","Mitotic Anaphase","MyD88
 cascade initiated on plasma membrane","Sema4D in semaphorin signaling","Activation of RAC1","Homologous DNA Pairing and Strand Exchange","PI3K Cascade","Transcription of the HIV genome","ADORA2B medi
ated anti-inflammatory cytokines production","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation
","Separation of Sister Chromatids","MAP kinase activation","Sema4D induced cell migration and growth-cone collapse","Sema4D mediated inhibition of cell attachment and migration","Presynaptic phase of
 homologous DNA pairing and strand exchange","HIV Transcription Elongation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Regulation of TP5
3 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Tat-mediated elongation of the HIV-1 transcript","APC-Cdc20 mediated degradation of Nek2A","CREB phosphorylation","Activation of 
the AP-1 family of transcription factors","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CDK4,CDK6}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{Palbociclib,571190-30-2,571190302,PD0332991,Ibrance,PD-0332991,"PD 0332991",UNII-G9ZF61LE7G,UNIIG9ZF61LE7G,"Palbociclib free base",Palbociclib-d8,Palbociclibd8,PD-332991,PD332991,"571190-30-2 (free b
ase)","571190302 (free base)",MFCD11840850,G9ZF61LE7G,Palbociclib(PD0332991),"PD 332991",CHEBI:85993,(d8)-Palbociclib,(d8)Palbociclib,T1785,T6239,758247,S1116,"Palbociclib hydrochloride"}

> <pdid>
PD003263

> <targets>
{CDK}

> <classes>
{}

> <pubchem_cids>
{5330286}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 43  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 N   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8963   -3.7531    0.0000 N   0  0
   -3.8941   -5.2539    0.0000 C   0  0
   -5.1905   -6.0085    0.0000 N   0  0
   -5.1853   -7.5085    0.0000 C   0  0
   -3.8837   -8.2540    0.0000 C   0  0
   -2.5873   -7.4995    0.0000 C   0  0
   -2.5925   -5.9995    0.0000 C   0  0
   -3.8785   -9.7548    0.0000 N   0  0
   -5.1738  -10.5114    0.0000 C   0  0
   -5.1662  -12.0114    0.0000 C   0  0
   -3.8634  -12.7548    0.0000 N   0  0
   -2.5681  -11.9983    0.0000 C   0  0
   -2.5757  -10.4983    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0031    0.0000 O   0  0
    3.8976    0.7554    0.0000 C   0  0
   10.2982   -5.1075    0.0000 C   0  0
    8.9982   -5.8575    0.0000 C   0  0
    7.6982   -5.1075    0.0000 S   0  0
    6.3990   -5.8571    0.0000 O   0  0
    7.6982   -3.6075    0.0000 O   0  0
    6.3993   -4.3573    0.0000 O   0  0
   11.5975   -5.8571    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  2  1  0
 12  7  1  0
  9 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
  6 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 26  1  0
  3 31  1  0
 31 32  2  0
 31 33  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  2  0
 36 39  1  0
 34 40  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12331

> <plate>
PLATE 018

> <well>
B11

> <supplier_cmpd_name>
Palbociclib Isethionate

> <ctcr_id>
11164

> <supplier_cmpd_id>
T6240

> <smiles>
Cc1c(c(=O)n(c2nc(ncc12)Nc1ncc(cc1)N1CCNCC1)C1CCCC1)C(=O)C.C(CS(=O)(=O)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Palbociclib Isethionate",827022-33-3,827022333,"PD0332991 Isethionate","PD 0332991 isethionate",UNII-W1NYL2IRDR,UNIIW1NYL2IRDR,"Palbociclib (PD0332991) Isethionate",W1NYL2IRDR,"Palbociclib (isethion
ate)","827022-33-3 (isethionate)","827022333 (isethionate)","Palbociclib Isethion",T6240}

> <pdid>

> <targets>
{CDK4/CyclinD1,CDK4/CyclinD3,CDK6/CyclinD2}

> <classes>
{"Cell Cycle/Checkpoint"}

> <pubchem_cids>
{11478676}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 51 57  0  0  1  0            999 V2000
    8.5540   -0.3292    0.0000 C   0  0
    7.0615   -0.4789    0.0000 C   0  0
    6.4437   -1.8466    0.0000 C   0  0  1  0  0  0
    7.3222   -3.0635    0.0000 C   0  0  2  0  0  0
    6.7075   -4.4318    0.0000 C   0  0
    8.8145   -2.9122    0.0000 O   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 C   0  0
   -6.5050    5.2446    0.0000 C   0  0
   -7.8065    5.9905    0.0000 C   0  0
   -9.1031    5.2364    0.0000 C   0  0
  -10.4068    5.9800    0.0000 O   0  0
  -11.7031    5.2236    0.0000 C   0  0
  -13.0067    5.9672    0.0000 C   0  0  2  0  0  0
  -14.3561    5.3419    0.0000 C   0  0
  -15.3634    6.4534    0.0000 O   0  0
  -14.6175    7.7548    0.0000 C   0  0  1  0  0  0
  -13.1493    7.4476    0.0000 C   0  0
  -13.7278    8.9469    0.0000 C   0  0
  -12.2347    8.7954    0.0000 N   0  0
  -11.2423    9.9021    0.0000 C   0  0
   -9.8781    9.2784    0.0000 N   0  0
  -10.0497    7.7883    0.0000 C   0  0
  -11.5199    7.4910    0.0000 N   0  0
  -16.0999    7.8821    0.0000 C   0  0
  -16.9583    6.6520    0.0000 C   0  0
  -18.4528    6.7804    0.0000 C   0  0
  -19.0889    8.1389    0.0000 C   0  0
  -20.5834    8.2672    0.0000 F   0  0
  -18.2305    9.3690    0.0000 C   0  0
  -16.7360    9.2406    0.0000 C   0  0
  -15.8776   10.4707    0.0000 F   0  0
   -9.0983    3.7364    0.0000 C   0  0
   -7.7969    2.9905    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  1
  4  6  1  0
  3  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11  7  1  0
 11 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 22 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 31 30  1  6
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 31  1  0
 34 36  1  6
 36 37  1  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 37  1  0
 34 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 45 47  1  0
 47 48  2  0
 48 42  1  0
 48 49  1  0
 28 50  1  0
 50 51  2  0
 51 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12332

> <plate>
PLATE 018

> <well>
C2

> <supplier_cmpd_name>
Posaconazole

> <ctcr_id>
7110

> <supplier_cmpd_id>
T6211

> <smiles>
CC[C@@H]([C@H](C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@@H]5CO[C@@](C5)(Cn6cncn6)c7ccc(F)cc7F)cc4

> <pd_targets>
{CYP11B2,CYP17A1,CYP3A4,CYP51B,CYP11B1,CYP19A1,CYP51,ERG11,CYP2C9,CYP8B1,ABCB11}

> <pathway_gtopdb>
{Enzyme,Transporter,"Cytochrome P450",Oxidoreductase,"Primary active transporter","Cytochrome P450 family 11","Cytochrome P450 family 17","Cytochrome P450 family 3","Cytochrome P450 family 51","Cytoch
rome P450 family 19","Cytochrome P450 family 2","ATP-binding cassette","Cytochrome P450 family 11B","Cytochrome P450 family 17A","Cytochrome P450 family 3A","Cytochrome P450 family 51A","Cytochrome P4
50 family 19A","Cytochrome P450 family 2C","ABCB subfamily","Cytochrome P450 11B2","Cytochrome P450 17A1","Cytochrome P450 3A4","Cytochrome P450 51A1","Cytochrome P450 11B1","Cytochrome P450 19A1","Cy
tochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,Transporters,"Cytochrome P450","ATP-binding cassette transporter family",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","CYP3 family","CYP2 family: drug metabolising subset",CYP5,"CYP7 and CYP8
 families","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Metabolism of lipids","Phase I - Functionalization of compounds","Metabolism of steroids","Biosynthesis of specialized proresolving mediators (SPMs)","Cytochrome P
450 - arranged by substrate type","Metabolism of steroid hormones","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","Endogenous sterols","Androgen biosynthesis","Biosynthesis of
 maresins",Xenobiotics,"Synthesis of bile acids and bile salts","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Sterols are 12-hydroxylated by CYP8B1","Synthesis of bile acids and bile salts v
ia 7alpha-hydroxycholesterol"}

> <broad_targets>
{CYP3A4}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{PB30668,NCGC00274060-02,NCGC0027406002,Posaconazole,171228-49-2,171228492,Noxafil,"Sch 56592",SCH56592,SCH-56592,"Posaconazole SP","Schering 56592",UNII-6TK1G07BHZ,UNII6TK1G07BHZ,6TK1G07BHZ,CHEMBL139
7,CHEBI:64355,pasaconazole,"Posaconazole (USAN:INN:BAN)","HSDB 7421",C37H42F2N8O4,Noxaf,T6211,S1257}

> <pdid>
PD011039

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{468595}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 93 99  0  0  1  0            999 V2000
   -7.3203   -8.8397    0.0000 C   0  0
   -8.2383   -7.6535    0.0000 C   0  0  2  0  0  0
   -7.6693   -6.2647    0.0000 C   0  0
   -6.1822   -6.0622    0.0000 N   0  0
   -5.6132   -4.6734    0.0000 C   0  0
   -6.5313   -3.4872    0.0000 O   0  0
   -4.1262   -4.4708    0.0000 C   0  0
   -3.5571   -3.0820    0.0000 C   0  0
   -2.0908   -2.8527    0.0000 C   0  0  2  0  0  0
   -1.1033   -3.9818    0.0000 C   0  0
   -2.9413   -1.7187    0.0000 C   0  0  1  0  0  0
   -4.4387   -1.7224    0.0000 C   0  0
   -5.1924   -0.4245    0.0000 C   0  0
   -4.4453    0.8762    0.0000 N   0  0
   -6.6924   -0.4274    0.0000 O   0  0
   -1.9490   -0.4961    0.0000 C   0  0  1  0  0  0
   -0.6201   -0.9922    0.0000 N   0  5
   -0.6556   -2.5160    0.0000 C   0  0
    0.6024   -3.3133    0.0000 C   0  0
    0.5977   -4.8133    0.0000 C   0  0
    1.8782   -2.5160    0.0000 C   0  0
    1.8782   -0.9922    0.0000 N   0  0
    3.4374   -0.6379    0.0000 C   0  0
    4.1993    0.3367    0.0000 C   0  0
    3.5082    1.4529    0.0000 C   0  0
    1.9845    1.8073    0.0000 N   0  0
    1.9313    3.3133    0.0000 C   0  0
    0.6556    4.0930    0.0000 C   0  0
    0.6385    5.5929    0.0000 C   0  0
   -0.5847    3.2956    0.0000 C   0  0
   -0.5670    1.7896    0.0000 N   0  0
   -1.9313    1.3112    0.0000 C   0  0  1  0  0  0
   -3.3639    0.8666    0.0000 C   0  0
   -2.8881    2.6755    0.0000 C   0  0  1  0  0  0
   -3.6749    1.3984    0.0000 C   0  0
   -3.5588    4.0050    0.0000 C   0  0
   -5.0559    4.1112    0.0000 C   0  0
   -5.8955    2.8682    0.0000 N   0  0
   -5.7130    5.4596    0.0000 O   0  0
   -1.9845    3.7563    0.0000 C   0  0  2  0  0  0
   -2.4139    5.1932    0.0000 C   0  0
   -3.8740    5.5405    0.0000 C   0  0
   -4.3042    6.9784    0.0000 C   0  0
   -3.2742    8.0689    0.0000 N   0  0
   -5.7634    7.3255    0.0000 O   0  0
    3.3488    3.8981    0.0000 C   0  0  1  0  0  0
    2.2527    4.9220    0.0000 C   0  0
    4.7848    4.2876    0.0000 C   0  0
    5.1918    5.7322    0.0000 C   0  0
    4.1445    6.8060    0.0000 N   0  0
    6.6453    6.1027    0.0000 O   0  0
    4.3056    2.7464    0.0000 C   0  0  2  0  0  0
    5.7996    2.8594    0.0000 C   0  0
    6.4505    4.2118    0.0000 C   0  0
    7.9470    4.3252    0.0000 C   0  0
    8.7927    3.0862    0.0000 N   0  0
    8.5976    5.6768    0.0000 O   0  0
    4.2347   -1.9136    0.0000 C   0  0
    5.0463   -0.6521    0.0000 C   0  0
    4.8800   -3.2677    0.0000 C   0  0
    3.2779   -3.0830    0.0000 C   0  0  2  0  0  0
    3.6515   -4.5336    0.0000 C   0  0
    5.0971   -4.9371    0.0000 C   0  0
    5.4715   -6.3905    0.0000 C   0  0
    4.4002   -7.4404    0.0000 N   0  0
    6.9162   -6.7937    0.0000 O   0  0
   -9.7254   -7.8561    0.0000 O   0  0
  -10.2944   -9.2448    0.0000 P   0  0
   -8.8081   -9.0431    0.0000 O   0  5
   -9.3763  -10.4311    0.0000 O   0  0
  -11.7815   -9.4474    0.0000 O   0  0
  -12.3505  -10.8362    0.0000 C   0  0  1  0  0  0
  -13.7987  -11.1747    0.0000 C   0  0  1  0  0  0
  -14.9393  -10.2005    0.0000 O   0  0
  -13.9076  -12.6708    0.0000 C   0  0  2  0  0  0
  -12.5184  -13.2366    0.0000 O   0  0
  -11.5510  -12.0903    0.0000 C   0  0  2  0  0  0
  -10.0562  -12.1906    0.0000 C   0  0
   -9.3940  -13.5366    0.0000 O   0  0
  -15.1825  -13.4624    0.0000 N   0  0
  -16.5025  -12.7752    0.0000 C   0  0
  -17.5565  -13.8425    0.0000 N   0  0
  -16.8673  -15.1739    0.0000 C   0  0
  -17.3960  -16.5776    0.0000 C   0  0
  -16.4447  -17.7374    0.0000 C   0  0
  -16.9734  -19.1411    0.0000 C   0  0
  -14.9647  -17.4934    0.0000 C   0  0
  -14.0134  -18.6532    0.0000 C   0  0
  -14.4360  -16.0897    0.0000 C   0  0
  -15.3872  -14.9299    0.0000 C   0  0
   11.2938   -0.1934    0.0000 Co  0  2
   12.5931    0.5561    0.0000 C   0  0
   13.8923    1.3057    0.0000 N   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  1  0
 13 15  2  0
 11 16  1  0
 16 17  1  6
 17 18  1  0
 18  9  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  3
 31 32  1  0
 32 16  1  0
 32 33  1  6
 32 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 34 40  1  0
 40 30  1  0
 40 41  1  6
 41 42  1  0
 42 43  1  0
 43 44  1  0
 43 45  2  0
 27 46  1  0
 46 47  1  6
 46 48  1  0
 48 49  1  0
 49 50  1  0
 49 51  2  0
 46 52  1  0
 52 25  1  0
 52 53  1  6
 53 54  1  0
 54 55  1  0
 55 56  1  0
 55 57  2  0
 23 58  1  0
 58 59  1  0
 58 60  1  0
 58 61  1  0
 61 21  1  0
 61 62  1  6
 62 63  1  0
 63 64  1  0
 64 65  1  0
 64 66  2  0
  2 67  1  0
 67 68  1  0
 68 69  1  0
 68 70  2  0
 68 71  1  0
 72 71  1  6
 72 73  1  0
 73 74  1  6
 73 75  1  0
 75 76  1  0
 76 77  1  0
 77 72  1  0
 77 78  1  1
 78 79  1  0
 75 80  1  6
 80 81  1  0
 81 82  2  0
 82 83  1  0
 83 84  2  0
 84 85  1  0
 85 86  1  0
 85 87  2  0
 87 88  1  0
 87 89  1  0
 89 90  2  0
 90 80  1  0
 90 83  1  0
 91 92  1  0
 92 93  3  0
M  CHG  3  17  -1  69  -1  91   2
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12333

> <plate>
PLATE 018

> <well>
C3

> <supplier_cmpd_name>
Methylcobalamin

> <ctcr_id>
6807

> <supplier_cmpd_id>
T3136

> <smiles>
C[C@H](CNC(=O)CC[C@]\1(C)[C@@H](CC(N)=O)[C@H]2[N-]C1=C(/C)C3=NC(=C\C4=NC(=C(/C)C5=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)/[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)/C(C)(C)[C@@H]3CCC(N)=O)O[P]([O-])(=O)O[C@
H]6[C@@H](O)[C@H](O[C@@H]6CO)n7cnc8cc(C)c(C)cc78.[Co++]C#N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"vitamin B12",cobalamin,cyanocobalamin,"vitamin B-12",68-19-9,68199,s1902,CCG-270676,CCG270676,AS-13159,AS13159,AB01568252_01,AB0156825201,AB01568252-01,"AB01568252 01",T3136,S1902,Prestw-433,Methylc
obalamin,"Vitamin B12",Cyanocobalamin}

> <pdid>

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{46853873}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 40  0  0  1  0            999 V2000
    8.8982   -2.9974    0.0000 Cl  0  5
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.9019   -5.2406    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0  2  0  0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -6.4915   -3.7571    0.0000 N   0  0
   -5.1925   -3.0071    0.0000 C   0  0
   -7.7897   -3.0041    0.0000 C   0  0
   -7.7876   -1.5032    0.0000 C   0  0
   -9.0841   -0.7487    0.0000 C   0  0
   -9.0789    0.7513    0.0000 C   0  0
   -7.7773    1.4968    0.0000 C   0  0
   -6.4808    0.7424    0.0000 C   0  0
   -6.4860   -0.7576    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    6.3982   -2.9974    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12  6  1  0
 12 13  1  1
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 11 22  1  0
 22 23  2  0
 22 24  1  0
 25 24  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 29 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
 10 38  1  0
M  CHG  4   1  -1  19   1  20  -1  39   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12334

> <plate>
PLATE 018

> <well>
C4

> <supplier_cmpd_name>
Benidipine hydrochloride

> <ctcr_id>
7574

> <supplier_cmpd_id>
T6227

> <smiles>
[Cl-].COC(=O)C1=C(C)NC(=C([C@@H]1c2cccc(c2)[N+]([O-])=O)C(=O)O[C@@H]3CCCN(C3)Cc4ccccc4)C.[H+]

> <pd_targets>
{CACNA1A,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,CACNA1B,CACNA1G,CACNA1H,CACNA1I,ABCB1}

> <pathway_gtopdb>
{"Ion channel",Transporter,"Voltage-gated ion channel","Primary active transporter","Voltage-gated calcium channel","ATP-binding cassette","ABCB subfamily"}

> <pathway_chembl>
{"Ion channels",Transporters,"Voltage-gated ion channels","ATP-binding cassette transporter family","Voltage-gated calcium channels","ABCB subfamily"}

> <pathway_reactome>
{"Neuronal System","Developmental Biology",Metabolism,"Transmission across Chemical Synapses","Nervous system development","Abacavir transport and metabolism","Presynaptic depolarization and calcium c
hannel opening","Axon guidance","Abacavir transmembrane transport","NCAM signaling for neurite out-growth","NCAM1 interactions"}

> <broad_targets>
{CACNA1C,CACNA1G}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"benidipine hydrochloride",91599-74-5,91599745,"BENIDIPINE HCl","Benidipine (hydrochloride)","rac Benidipine hydrochloride",KW-3049,KW3049,"KW 3049","91599-74-5 (HCl)","91599745 (HCl)",105979-17-7,10
5979177,C28H31N3O6.HCl,"(+-)-Benidipine hydrochloride","(+)Benidipine hydrochloride",129262-07-3,129262073,NCGC00185768-01,NCGC0018576801,Benidipin,S2017,"Benidipine HCl"}

> <pdid>
PD008992

> <targets>
{"Calcium Channel"}

> <classes>
{}

> <pubchem_cids>
{656667,67108126}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 44 45  0  0  0  0            999 V2000
   16.8963    0.7772    0.0000 C   0  0
   16.8989   -0.7228    0.0000 C   0  0
   15.6002   -1.4751    0.0000 C   0  0
   14.2989   -0.7273    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
   10.4029   -2.9841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3164   -2.2191    0.0000 C   0  0
   -1.3163   -2.2193    0.0000 C   0  0
   18.2002   -1.4705    0.0000 C   0  0
   19.4989   -0.7183    0.0000 C   0  0
   20.8002   -1.4660    0.0000 C   0  0
   22.0989   -0.7138    0.0000 C   0  0
   22.0962    0.7862    0.0000 C   0  0
   23.4002   -1.4615    0.0000 C   0  0
   24.6988   -0.7092    0.0000 C   0  0
   26.0001   -1.4570    0.0000 C   0  0
   26.0002   -2.9570    0.0000 C   0  0
   24.7012   -3.7071    0.0000 C   0  0
   27.2993   -3.7070    0.0000 C   0  0
   27.2993   -5.2070    0.0000 O   0  0
   28.5983   -2.9569    0.0000 C   0  0
   29.8974   -3.7069    0.0000 O   0  0
   28.5983   -1.4569    0.0000 C   0  0
   27.2992   -0.7070    0.0000 C   0  0
   25.9828    0.0121    0.0000 C   0  0
   28.6155    0.0123    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 17 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 16  1  0
 24 25  1  0
 24 26  1  0
  2 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  3
 35 36  1  0
 35 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 42 34  1  0
 42 43  1  0
 42 44  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12335

> <plate>
PLATE 018

> <well>
C5

> <supplier_cmpd_name>
Astaxanthin

> <ctcr_id>
6674

> <supplier_cmpd_id>
T3138

> <smiles>
CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C

> <pd_targets>
{MAPT,PMP22,GMNN,LMNA,FTL,NFO,APEX1}

> <pathway_gtopdb>
{"Other cytosolic protein","Unclassified protein","Other nuclear protein",Enzyme,Protease,Hydrolase,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C1A family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Neuronal System","Developmental Biology","Cell Cycle","Vesicle-mediated transport","DNA Repair","Transmission across Chemical Synapses","Nervous system development",Mitotic,"Membrane Trafficking","B
ase Excision Repair","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Mitotic G1 phase and G1/S transition","M Phase"
,"trans-Golgi Network Vesicle Budding","Resolution of Abasic Sites (AP sites)","Activation of NMDA receptors and postsynaptic events","G1/S Transition","Mitotic Metaphase and Anaphase","Golgi Associat
ed Vesicle Biogenesis","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Post NMDA receptor activation events","Activation of the pre-replicative complex","Mitotic Anapha
se","PCNA-Dependent Long Patch Base Excision Repair","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{antioxidant}

> <synonyms>
{NSC635689,7542-45-2,7542452,"beta,beta-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S)-","beta,betaCarotene4,4'dione, 3,3'dihydroxy, (3S,3'S)",SMR000857136,Spectrum5_000658,Spectrum5000658,Spectrum5-0
00658,"Spectrum5 000658",SCHEMBL20046,BSPBio_002736,BSPBio002736,BSPBio-002736,"BSPBio 002736",MLS001332555,MLS001332556,MLS002153390,SPECTRUM1502235,CHEMBL1358053,SCHEMBL12390065,CCG-214054,CCG214054
,NSC-635689,T3138,1502235,Astaxanthin,ASTAXANTHIN}

> <pdid>
PD001346

> <targets>
{PPAR,Reactive Oxygen Species}

> <classes>
{Cell Cycle/DNA Damage,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{5368397}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

101105  0  0  1  0            999 V2000
   11.7163   -8.2298    0.0000 C   0  0
   10.4142   -7.4851    0.0000 C   0  0  1  0  0  0
   10.4085   -5.9851    0.0000 O   0  0
    9.1178   -8.2413    0.0000 C   0  0  2  0  0  0
    7.8165   -7.4936    0.0000 N   0  0
    7.8125   -5.9928    0.0000 C   0  0
    9.1097   -5.2397    0.0000 O   0  0
    6.5112   -5.2450    0.0000 C   0  0  2  0  0  0
    5.2139   -5.9981    0.0000 C   0  0
    6.5071   -3.7442    0.0000 C   0  0  2  0  0  0
    7.8044   -2.9911    0.0000 O   0  0
    5.2058   -2.9965    0.0000 C   0  0  2  0  0  0
    3.9086   -3.7496    0.0000 C   0  0
    5.2018   -1.4957    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8003   -1.4870    0.0000 O   0  0
    6.4950    0.7599    0.0000 C   0  0  1  0  0  0
    5.1937    1.5076    0.0000 N   0  0
    3.8950    0.7553    0.0000 C   0  0
    3.8976   -0.7447    0.0000 O   0  0
    2.5937    1.5031    0.0000 C   0  0
    1.2977    0.7477    0.0000 N   0  0
   -0.0044    1.4924    0.0000 C   0  0
   -0.0106    2.9924    0.0000 N   0  0
    1.2854    3.7477    0.0000 C   0  0
    1.2792    5.2477    0.0000 N   0  0
    2.5875    3.0031    0.0000 C   0  0
    3.8834    3.7584    0.0000 C   0  0
   -1.3026    0.7393    0.0000 C   0  0
   -2.6052    1.4848    0.0000 C   0  0
   -3.9026    0.7302    0.0000 C   0  0
   -5.2044    1.4753    0.0000 O   0  0
   -3.8973   -0.7697    0.0000 N   0  0
   -1.3005   -0.7615    0.0000 N   0  0
   -2.5987   -1.5146    0.0000 C   0  0
   -2.5965   -3.0154    0.0000 C   0  0  2  0  0  0
   -1.2962   -3.7632    0.0000 N   0  0
   -3.8947   -3.7685    0.0000 C   0  0
   -3.8926   -5.2685    0.0000 O   0  0
   -5.1951   -3.0208    0.0000 N   0  0
    7.7929    1.5134    0.0000 C   0  0
    7.7869    3.0142    0.0000 O   0  0
    9.0832    3.7705    0.0000 C   0  0
   10.3843    3.0239    0.0000 O   0  0
   11.6814    3.7772    0.0000 C   0  0
   12.9815    3.0275    0.0000 C   0  0
   12.9832    1.5275    0.0000 O   0  0
   11.6775    5.2772    0.0000 C   0  0
   12.9746    6.0305    0.0000 O   0  0
   10.3766    6.0239    0.0000 C   0  0
   10.3727    7.5239    0.0000 O   0  0
    9.0795    5.2705    0.0000 C   0  0
    7.7763    6.0150    0.0000 O   0  0
    7.7684    7.5158    0.0000 C   0  0
    9.0651    8.2700    0.0000 O   0  0
    9.0603    9.7700    0.0000 C   0  0
   10.3592   10.5219    0.0000 C   0  0
   10.3585   12.0219    0.0000 O   0  0
    7.7589   10.5159    0.0000 C   0  0
    7.7541   12.0159    0.0000 O   0  0
    6.4623    9.7618    0.0000 C   0  0
    5.1586   10.5053    0.0000 O   0  0
    3.8623    9.7490    0.0000 C   0  0
    2.5594   10.4921    0.0000 O   0  0
    3.8697    8.2490    0.0000 N   0  0
    6.4670    8.2618    0.0000 C   0  0
    5.1704    7.5077    0.0000 O   0  0
    9.0953    0.7674    0.0000 C   0  0
   10.4460    1.3899    0.0000 C   0  0
   11.4509    0.2763    0.0000 N   0  0
   10.7023   -1.0235    0.0000 C   0  0
    9.2347   -0.7133    0.0000 N   0  0
    9.1218   -9.7421    0.0000 C   0  0
    7.8246  -10.4952    0.0000 O   0  0
   10.4231  -10.4899    0.0000 N   0  0
   10.4272  -11.9907    0.0000 C   0  0
   11.7285  -12.7384    0.0000 C   0  0
   11.7325  -14.2392    0.0000 C   0  0
   12.9466  -15.0983    0.0000 N   0  0
   12.4840  -16.5252    0.0000 C   0  0
   10.9840  -16.5261    0.0000 C   0  0
   10.5195  -15.0998    0.0000 S   0  0
   13.3669  -17.7387    0.0000 C   0  0
   14.8462  -17.8355    0.0000 N   0  0
   15.1977  -19.2937    0.0000 C   0  0
   13.9194  -20.0786    0.0000 C   0  0
   12.7779  -19.1054    0.0000 S   0  0
   16.5812  -19.8687    0.0000 C   0  0
   17.7720  -18.9566    0.0000 O   0  0
   16.7763  -21.3568    0.0000 N   0  0
   18.1621  -21.9328    0.0000 C   0  0
   18.3572  -23.4209    0.0000 C   0  0
   19.7431  -23.9969    0.0000 C   0  0
   19.9382  -25.4850    0.0000 S   0  3
   21.3233  -26.0607    0.0000 C   0  0
   18.7473  -26.3971    0.0000 C   0  0
   40.9423   -0.3667    0.0000 O   0  0
   40.9423   -1.8667    0.0000 S   0  0
   39.6430   -2.6163    0.0000 O   0  0
   42.2416   -2.6163    0.0000 O   0  0
   40.9423   -3.3667    0.0000 O   0  5
  2  1  1  6
  2  3  1  0
  2  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  1
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 21  1  0
 27 28  1  0
 23 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 29 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  6
 36 38  1  0
 38 39  2  0
 38 40  1  0
 17 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 45 48  1  0
 48 49  1  0
 48 50  1  0
 50 51  1  0
 50 52  1  0
 52 43  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 56 59  1  0
 59 60  1  0
 59 61  1  0
 61 62  1  0
 62 63  1  0
 63 64  2  0
 63 65  1  0
 61 66  1  0
 66 54  1  0
 66 67  1  0
 41 68  1  0
 68 69  2  0
 69 70  1  0
 70 71  1  0
 71 72  2  0
 72 68  1  0
  4 73  1  0
 73 74  2  0
 73 75  1  0
 75 76  1  0
 76 77  1  0
 77 78  1  0
 78 79  2  0
 79 80  1  0
 80 81  2  0
 81 82  1  0
 82 78  1  0
 80 83  1  0
 83 84  2  0
 84 85  1  0
 85 86  2  0
 86 87  1  0
 87 83  1  0
 85 88  1  0
 88 89  2  0
 88 90  1  0
 90 91  1  0
 91 92  1  0
 92 93  1  0
 93 94  1  0
 94 95  1  0
 94 96  1  0
 97 98  1  0
 98 99  2  0
 98100  2  0
 98101  1  0
M  CHG  2  94   1 101  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12336

> <plate>
PLATE 018

> <well>
C6

> <supplier_cmpd_name>
Bleomycin Sulfate

> <ctcr_id>
2562

> <supplier_cmpd_id>
T6116

> <smiles>
C[C@@H](O)[C@H](NC(=O)[C@H](C)[C@H](O)[C@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NC[C@H](N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCC
[S+](C)C.OS(=O)(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{Bleo,"Bleomycin sulfate",NSC125066,NSC-125066,CHEMBL1977624,"Blenoxane (TN) (Bristol Meyers)",125066,"NSC 125066"}

> <pdid>
PD003687

> <targets>
{}

> <classes>
{"DNA metabolism inhibitor"}

> <pubchem_cids>
{54608728}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 62 67  0  0  0  0            999 V2000
   12.0795   -6.2491    0.0000 O   0  0
   11.5667   -4.8395    0.0000 C   0  0
   10.0888   -4.5777    0.0000 C   0  0
    9.5757   -3.1673    0.0000 O   0  0
    8.0979   -2.9056    0.0000 C   0  0
    7.5847   -1.4952    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 N   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 S   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
   29.2507   -6.2491    0.0000 O   0  0
   28.7378   -4.8395    0.0000 C   0  0
   27.2600   -4.5777    0.0000 C   0  0
   26.7469   -3.1673    0.0000 O   0  0
   25.2690   -2.9056    0.0000 C   0  0
   24.7559   -1.4952    0.0000 C   0  0
   23.2781   -1.2335    0.0000 N   0  0
   22.7632    0.1754    0.0000 C   0  0
   21.2856    0.4339    0.0000 C   0  0
   20.3195   -0.7186    0.0000 N   0  0
   20.8378   -2.1252    0.0000 C   0  0
   22.3154   -2.3838    0.0000 C   0  0
   18.8564   -0.3846    0.0000 C   0  0
   18.5226    1.0778    0.0000 N   0  0
   17.1711    1.7286    0.0000 C   0  0
   17.2827    3.2255    0.0000 C   0  0
   16.0433    4.0705    0.0000 C   0  0
   14.6919    3.4196    0.0000 C   0  0
   14.5798    1.9238    0.0000 C   0  0
   15.8197    1.0777    0.0000 C   0  0
   15.4859   -0.3847    0.0000 S   0  0
   16.4212   -1.5574    0.0000 C   0  0
   15.6712   -2.8577    0.0000 C   0  0
   16.4212   -4.1567    0.0000 C   0  0
   17.9212   -4.1567    0.0000 C   0  0
   18.6712   -2.8577    0.0000 C   0  0
   17.9212   -1.5574    0.0000 C   0  0
   33.0509    0.7853    0.0000 O   0  0
   33.0509   -0.7147    0.0000 C   0  0
   31.7517   -1.4643    0.0000 O   0  0
   34.3509   -1.4647    0.0000 C   0  0
   35.6509   -0.7147    0.0000 C   0  0
   36.9509   -1.4647    0.0000 C   0  0
   36.9509   -2.9647    0.0000 O   0  0
   38.2502   -0.7151    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 10 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 13  1  0
 27 22  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 34  1  0
 37 40  1  0
 40 41  2  3
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 42  1  0
 47 48  1  0
 48 49  1  0
 49 50  2  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 40  1  0
 54 49  1  0
 55 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  2  3
 59 60  1  0
 60 61  1  0
 60 62  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12337

> <plate>
PLATE 018

> <well>
C7

> <supplier_cmpd_name>
Quetiapine Fumarate

> <ctcr_id>
1985

> <supplier_cmpd_id>
T6241

> <smiles>
OCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24.OCCOCCN5CCN(CC5)C6=Nc7ccccc7Sc8ccccc68.OC(=O)C=CC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Quetiapine fumarate","111974-72-2 (hemifumarate)","111974722 (hemifumarate)",HMS3651A19,C42H50N6O4S2.C4H4O4,AKOS030228799,Z1880962287,S1763,"Quetiapine Fumarate"}

> <pdid>

> <targets>
{"Dopamine Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{441261}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4947    0.7442    0.0000 N   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
    0.0134   -5.9950    0.0000 F   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -5.1939   -3.0126    0.0000 C   0  0
   -6.4955   -2.2672    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13  7  1  0
  6 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 22 16  1  0
 22 23  1  0
 23 24  3  0
 14 25  1  0
 25  2  1  0
 25 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12338

> <plate>
PLATE 018

> <well>
C8

> <supplier_cmpd_name>
Trelagliptin

> <ctcr_id>
7945

> <supplier_cmpd_id>
T6237

> <smiles>
CN1C(=O)C=C(N2CCCC(N)C2)N(Cc3cc(F)ccc3C#N)C1=O

> <pd_targets>
{DPP4}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease SC clan","Serine protease S9B subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","SC: Serine (S) Peptidases","S9: Prolyl oligopeptidase"}

> <pathway_reactome>
{"Metabolism of proteins","Peptide hormone metabolism","Incretin synthesis",secretion,"and inactivation",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)"}

> <broad_targets>
{DPP4}

> <broad_moa>
{"dipeptidyl peptidase inhibitor"}

> <synonyms>
{SCHEMBL175727,SYR472,CHEMBL4303381,HMS3653H11,BCP10450,NCGC00389507-02,NCGC0038950702,AK198919,DA-41072,DA41072,FT-0700380,FT0700380,SW220106-1,SW2201061,T6237,S7513,Trelagliptin}

> <pdid>
PD012587

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11360300}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    5.1937   -3.0093    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -6.2524    0.2436    0.0000 C   0  0
   -5.4979   -1.0529    0.0000 N   0  0
   -4.0317   -0.7359    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 11  1  0
  9 16  1  0
 16 17  2  0
 17  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12339

> <plate>
PLATE 018

> <well>
C9

> <supplier_cmpd_name>
Ozagrel

> <ctcr_id>
7205

> <supplier_cmpd_id>
T6236

> <smiles>
OC(=O)/C=C/c1ccc(Cn2ccnc2)cc1

> <pd_targets>
{CFTR,TBXAS1,CYP1A2,CYP2D6,CYP3A4,CYP2C19,KMT2A,MEN1,FFP}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Epigenetic regulator","Other ion channel","Cytochrome P450",Reader,Transferase,"Chloride channel","Cytochrome P450 family 5","Cytochrome P450 family 1","Cytochrome P450 family 2
","Cytochrome P450 family 3",Bromodomain,"Cystic fibrosis transmembrane conductance regulator","Cytochrome P450 family 5A","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Cytochrome P450 fami
ly 3A","Cytochrome P450 family 2C","Cytochrome P450 5A1","Cytochrome P450 1A1","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 2C19"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Other ion channels","Cytochrome P450","Chloride channels",CYP5,"CYP7 and CYP8 families","CYP1 family","CYP2 family: drug metabolising subset","CYP3 family",CFTR}

> <pathway_reactome>
{Autophagy,Metabolism,Macroautophagy,"Biological oxidations","Metabolism of lipids","Selective autophagy","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators
 (SPMs)",Aggrephagy,"Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs",Eicosanoids,Xenobiotics,"Biosynthesis of maresins","Aromatic amines can be N-hydroxylated or N-dea
lkylated by CYP1A2","CYP2E1 reactions","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{TBXAS1}

> <broad_moa>
{"thromboxane synthase inhibitor"}

> <synonyms>
{82571-53-7,82571537,"Ozagrel (INN)",OKY-046,OKY046,"(E)-3-(4-(imidazol-1-ylmethyl)phenyl)prop-2-enoic acid","(E)3(4(imidazol1ylmethyl)phenyl)prop2enoic acid","Ozagrel free acid",UNII-L256JB984D,UNIIL
256JB984D,"(E)-3-(4-((1H-IMIDAZOL-1-YL)METHYL)PHENYL)ACRYLIC ACID","(E)3(4((1HIMIDAZOL1YL)METHYL)PHENYL)ACRYLIC ACID",KCT-0809,KCT0809,CHEMBL11662,L256JB984D,"82571-53-7 (free ba","82571537 (free ba",
S2496,Ozagrel}

> <pdid>
PD000221

> <targets>
{"Factor Xa"}

> <classes>
{}

> <pubchem_cids>
{5282440}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 41  0  0  0  0            999 V2000
    6.6745   -6.6103    0.0000 C   0  0
    7.6412   -5.4633    0.0000 C   0  0
    9.1179   -5.7270    0.0000 C   0  0
   10.0845   -4.5800    0.0000 N   0  0
    9.5745   -3.1693    0.0000 C   0  0
    8.0979   -2.9056    0.0000 C   0  0
    7.5847   -1.4952    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
    1.0157    5.5663    0.0000 Cl  0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
    7.1312   -4.0527    0.0000 C   0  0
   13.8845    1.3531    0.0000 O   0  0
   13.8845   -0.1469    0.0000 C   0  0
   12.5852   -0.8965    0.0000 O   0  0
   15.1845   -0.8969    0.0000 C   0  0
   16.4845   -0.1469    0.0000 C   0  0
   17.7845   -0.8969    0.0000 C   0  0
   17.7845   -2.3969    0.0000 O   0  0
   19.0838   -0.1473    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  2  3
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 14  1  0
 29 24  1  0
  6 30  2  0
 30  2  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12340

> <plate>
PLATE 018

> <well>
C10

> <supplier_cmpd_name>
Rupatadine Fumarate

> <ctcr_id>
7268

> <supplier_cmpd_id>
T6242

> <smiles>
Cc1cncc(CN2CCC(CC2)=C3c4ccc(Cl)cc4CCc5cccnc35)c1.OC(=O)\C=C\C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"UR-12592 fumarate","UR12592 fumarate",Rupafin,"Rupatadin Fumarate","Rupatadine fumarate",182349-12-8,182349128,"Rupatadine (Fumarate)",UNII-XJ6OT32M93,UNIIXJ6OT32M93,Alergoliber,XJ6OT32M93,"182349-1
2-8 (fumarate)","182349128 (fumarate)",Rupax,MFCD00926499,Rupatall,Tamalis,Wystamm,Ralif,"Rinialer (T",S3052,"Rupatadine Fumarate"}

> <pdid>

> <targets>
{"Histamine Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{6449107}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 30  0  0  1  0            999 V2000
    2.5981    0.0000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0  2  0  0  0
    2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
    3.8971   -0.7500    0.0000 C   0  0
    5.1962   -1.5000    0.0000 C   0  0
    5.1962   -3.0000    0.0000 C   0  0  1  0  0  0
    6.5611   -2.3779    0.0000 C   0  0
    3.8971   -3.7500    0.0000 C   0  0  1  0  0  0
    4.2297   -5.2071    0.0000 C   0  0
    5.7224   -5.3544    0.0000 C   0  0
    6.3238   -3.9802    0.0000 C   0  0
    7.7879   -3.6507    0.0000 C   0  0
    8.3435   -2.2630    0.0000 C   0  0
    9.8283   -2.0504    0.0000 C   0  0
   10.7548   -3.2301    0.0000 C   0  0
   10.1964   -4.6223    0.0000 N   0  0
    8.7116   -4.8348    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
  8  2  1  0
  8  9  2  3
  9 10  1  0
 11 10  1  6
 11 12  1  0
 12  2  1  0
 12 13  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  1
 15 17  1  0
 17 11  1  0
 17 18  1  1
 18 19  1  0
 19 20  2  3
 20 15  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12341

> <plate>
PLATE 018

> <well>
C11

> <supplier_cmpd_name>
Abiraterone

> <ctcr_id>
679

> <supplier_cmpd_id>
T6216

> <smiles>
C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5

> <pd_targets>
{CYP17A1,CYP3A4,CYP21A2,CYP11B1,CYP11B2,SRD5A1,SRD5A2,SRD5A3,AR}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Cytochrome P450",Oxidoreductase,"Nuclear receptor","Cytochrome P450 family 17","Cytochrome P450 family 3","Cytochrome P450 family 21","Cytochrome P450 family 11","Nucle
ar hormone receptor subfamily 3","Cytochrome P450 family 17A","Cytochrome P450 family 3A","Cytochrome P450 family 21A","Cytochrome P450 family 11B","Nuclear hormone receptor subfamily 3 group C","Cyto
chrome P450 17A1","Cytochrome P450 3A4","Cytochrome P450 21A2","Cytochrome P450 11B1","Cytochrome P450 11B2","Nuclear hormone receptor subfamily 3 group C member 4"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Nuclear hormone receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","CYP3 family","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of lipids","Biological oxidations","RNA Polymerase II Transcription","Metabolism of steroids","Biosynthesis of specialized proresolving mediat
ors (SPMs)","Phase I - Functionalization of compounds","Generic Transcription Pathway","Metabolism of steroid hormones","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type
","Transcriptional regulation by RUNX2","Androgen biosynthesis","Biosynthesis of maresins","Endogenous sterols","RUNX2 regulates bone development","Biosynthesis of maresin-like SPMs","RUNX2 regulates 
osteoblast differentiation"}

> <broad_targets>
{CYP11B1,CYP17A1}

> <broad_moa>
{"androgen biosynthesis inhibitor"}

> <synonyms>
{Abiraterone,154229-19-3,154229193,"(3beta)-17-(3-pyridinyl)-androsta-5,16-dien-3-ol","(3beta)17(3pyridinyl)androsta5,16dien3ol","CB 7598",CB-7598,CB7598,"17-(3-Pyridyl)androsta-5,16-dien-3beta-ol","1
7(3Pyridyl)androsta5,16dien3betaol","Abiraterone (CB-7598)","Abiraterone (CB7598)",UNII-G819A456D0,UNIIG819A456D0,CHEMBL254328,CHEBI:68642,"154229-19-3 (Abiraterone)","154229193 (Abiraterone)",MFCD00,
T6216,749226,S1123,"NSC 749226",abiraterone}

> <pdid>
PD003444

> <targets>
{Cytochrome P450}

> <classes>
{CYP Inhibitor,Metabolic Enzyme/Protease}

> <pubchem_cids>
{132971}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 20  0  0  0  0            999 V2000
   14.0990   -1.8728    0.0000 H   0  3
   11.5990   -1.8728    0.0000 Cl  0  5
    9.0983   -0.7368    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    5.1998   -2.9940    0.0000 C   0  0
    3.9003   -3.7449    0.0000 C   0  0
    3.8999   -5.2449    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.5532   -4.4223    0.0000 O   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 12  1  0
 21 16  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12342

> <plate>
PLATE 018

> <well>
D2

> <supplier_cmpd_name>
Ropinirole hydrochloride

> <ctcr_id>
652

> <supplier_cmpd_id>
T2592

> <smiles>
[H+].[Cl-].CCCN(CCC)CCc1cccc2NC(=O)Cc12

> <pd_targets>
{LMNA,CYP2D6,ADRA2C,DRD3,CHRM1,ADRA2A,DRD2,DRD5,HTR1A,MAPK1,HTR1D,HRH1,DRD4,HTR7,CYP3A4,HTR2B,ADRA2B,DRD1,KDM4E,APEX1,BLM,HTR2A,ADRA1A,ADRA1B,ADRA1D}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Membrane receptor","Epigenetic regulator","Cytochrome P450","Family A G protein-coupled receptor",Kinase,Eraser,"Cytochrome P450 family 2","Small molecule receptor (fa
mily A GPCR)","Protein Kinase","Cytochrome P450 family 3","Lysine demethylase","Cytochrome P450 family 2D","Monoamine receptor","CMGC protein kinase group","Cytochrome P450 family 3A","Jumonji domain-
containing","Cytochrome P450 2D6","Adrenergic receptor","Dopamine receptor","Acetylcholine receptor","Serotonin receptor","CMGC protein kinase MAPK family","Histamine receptor","Cytochrome P450 3A4","
CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","CYP2 family: drug metabolising subset",Adrenoceptors,"Dopamine receptors","Acet
ylcholine receptors (muscarinic)","5-Hydroxytryptamine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Histamine receptors","CYP3 family","1.14.11.- Histone demethylases","Mitogen-activate
d protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Signal Transduction",Disease,"Immune System","DNA Repair",Mitotic,"Biological oxidations","Signaling by GPCR","Infectious disease","Innate Immune System","Metabolism of lipid
s","Base Excision Repair","DNA Double-Strand Break Repair","M Phase","Phase I - Functionalization of compounds","GPCR ligand binding","Leishmania infection","Toll-like Receptor Cascades","Biosynthesis
 of specialized proresolving mediators (SPMs)","Resolution of Abasic Sites (AP sites)","Homology Directed Repair","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Class
 A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Resolution of AP sites via the multiple-nucleotide 
patch replacement pathway","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Anaphase",Xenobiotics,"Amine ligand-binding receptors","Anti-inflammatory response fav
ouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","PCNA-Dependent Long Patch Base Excision Repair","HDR through Homologous Recombination (HR
R)","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions",Adrenoceptors,"Dopamine receptors","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Serotonin r
eceptors","MAP kinase activation","Histamine receptors","Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets
/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADRA2A,ADRA2B,ADRA2C,DRD1,DRD2,DRD3,DRD4,DRD5,HTR1A,HTR1B,HTR1D,HTR2A,HTR2B,HTR2C}

> <broad_moa>
{"dopamine receptor agonist"}

> <synonyms>
{"4-(2-(Dipropylamino)ethyl)-2-indolinone monohydrochloride","4(2(Dipropylamino)ethyl)2indolinone monohydrochloride",AKOS026750552,"Ropinirole hydrochloride",91374-20-8,91374208,"Ropinirole HCl",ReQui
p,"4-(2-(Dipropylamino)ethyl)indolin-2-one hydrochloride","4(2(Dipropylamino)ethyl)indolin2one hydrochloride","ReQuip XL","SKF 101468 hydrochloride",Ropini,Prestw-1158}

> <pdid>
PD010133

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{66766793,68727}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    4.0097   -3.2952    0.0000 C   0  0
    3.1255   -2.0835    0.0000 C   0  0
    1.6332   -2.2426    0.0000 C   0  0
    1.0255   -3.6140    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  9 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12343

> <plate>
PLATE 018

> <well>
D3

> <supplier_cmpd_name>
Povidone-iodine

> <ctcr_id>
11165

> <supplier_cmpd_id>
T3114

> <smiles>
CCC(C)N1CCCC1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{OVIDONEIODIN,1-sec-butyl-2-pyrrolidinone,1secbutyl2pyrrolidinone,58244-30-7,58244307,1-sec-butyl-pyrrolidin-2-one,1secbutylpyrrolidin2one,1-butan-2-ylpyrrolidin-2-one,1butan2ylpyrrolidin2one,"2-Pyrro
lidinone, 1-(1-methylpropyl)-","2Pyrrolidinone, 1(1methylpropyl)","Povidone-iodine (PVP-I)","Povidoneiodine (PVPI)",SCHEMBL275373,DTXSID80475318,1-(1-methyl-propyl)-pyrrolidin-2-one,1(1methylpropyl)py
rrolidin2one,Poly(vinyl,T3114,Povidone-iodine}

> <pdid>
PD056425

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{11989721}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 51 55  0  0  1  0            999 V2000
    0.7500   -1.0323    0.0000 S   0  0
    0.3296   -1.9396    0.0000 O   0  0
    2.2393   -0.8534    0.0000 O   0  0
    1.2135    0.3943    0.0000 C   0  0  1  0  0  0
    0.0000    1.2760    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0  2  0  0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -0.3296   -1.9396    0.0000 C   0  0
   -2.2393   -0.8534    0.0000 C   0  0
   -2.6375    0.8602    0.0000 C   0  0
   -3.7540   -0.1415    0.0000 O   0  0
   -2.9474    2.3287    0.0000 O   0  0
   -4.3738    2.7954    0.0000 C   0  0
   -4.6837    4.2639    0.0000 O   0  0
   -6.1102    4.7307    0.0000 C   0  0
   -7.2266    3.7289    0.0000 O   0  0
   -6.4201    6.1991    0.0000 C   0  0  2  0  0  0
   -5.4080    7.2890    0.0000 N   0  0
   -6.1535    8.5906    0.0000 C   0  0  2  0  0  0
   -7.6218    8.2839    0.0000 S   0  0
   -7.7838    6.7926    0.0000 C   0  0
   -7.7583    5.2928    0.0000 C   0  0
   -9.0738    7.5581    0.0000 C   0  0
   -4.8550    9.3343    0.0000 C   0  0  2  0  0  0
   -4.4665   10.7777    0.0000 N   0  0
   -5.5259   11.8407    0.0000 C   0  0
   -6.9754   11.4546    0.0000 O   0  0
   -5.1359   13.2900    0.0000 C   0  0  2  0  0  0
   -3.6865   13.6762    0.0000 N   0  0
   -6.1953   14.3531    0.0000 C   0  0
   -5.8077   15.8021    0.0000 C   0  0
   -6.8686   16.8625    0.0000 C   0  0
   -8.3174   16.4738    0.0000 C   0  0
   -8.7052   15.0248    0.0000 C   0  0
   -7.6442   13.9644    0.0000 C   0  0
   -4.1095    8.0326    0.0000 C   0  0
   -2.6620    7.6393    0.0000 O   0  0
    0.8795    2.4866    0.0000 C   0  0
    0.6449    3.9681    0.0000 O   0  0
    2.0931    1.6049    0.0000 C   0  0
    9.9246    6.4903    0.0000 S   0  0
   11.2241    7.2395    0.0000 O   0  0
    9.9241    4.9903    0.0000 O   0  0
   11.2233    5.7397    0.0000 O   0  0
    8.6249    7.2407    0.0000 C   0  0
    8.6248    8.7407    0.0000 C   0  0
    7.3258    9.4907    0.0000 C   0  0
    6.0268    8.7407    0.0000 C   0  0
    6.0268    7.2407    0.0000 C   0  0
    7.3258    6.4907    0.0000 C   0  0
    4.7277    9.4907    0.0000 C   0  0
  1  2  2  0
  1  3  2  0
  1  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  1  1  0
  7  8  1  0
  7  9  1  0
  6 10  1  6
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 17 15  1  1
 17 18  1  0
 18 19  1  0
 19 20  1  6
 20 21  1  0
 21 17  1  0
 21 22  1  0
 21 23  1  0
 19 24  1  0
 24 25  1  6
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 24 36  1  0
 36 18  1  0
 36 37  2  0
  5 38  1  0
 38 39  2  0
 38 40  1  0
  4 40  1  1
 41 42  2  0
 41 43  2  0
 41 44  1  0
 41 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 45  1  0
 48 51  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12344

> <plate>
PLATE 018

> <well>
D4

> <supplier_cmpd_name>
Sultamicillin Tosylate

> <ctcr_id>
11166

> <supplier_cmpd_id>
T3139

> <smiles>
S1(=O)(=O)[C@H]2N([C@H](C1(C)C)C(=O)OCOC(=O)[C@@H]1N3[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c1ccccc1)C3=O)C(=O)C2.S(=O)(=O)(O)c1ccc(cc1)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{antibacterial}

> <synonyms>
{Bacimex,"Sultamicillin tosilate",83105-70-8,UNII-46940LU8EO,46940LU8EO,"Unacim orale",Sbtpc,"Unacid PD oral",CHEBI:32170,VD-1827,CP-49952,"Sultamicillin tosilate (JAN)",Unacim,"VD 1827 p-Toluenesulfo
nate","CP 49952 p-Toluenesulfonate",DSSTox_CID_28567,DSSTox_RID_82839,DSSTox_GSID_48641,CHEMBL3183856,DTXSID9048641,SCHEMBL10568567,Tox21_112990,AKOS015963377,AC-4506,DS-3314,AC-20082,CAS-83105-70-8,U
0097,C13129,Q27114807,T3139,"Sultamicillin Tosylate"}

> <pdid>
PD070511

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{444021}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    2.6016   -2.9971    0.0000 O   0  0
    1.3070   -5.2502    0.0000 N   0  0
    2.6078   -5.9988    0.0000 C   0  0
    2.6131   -7.4988    0.0000 C   0  0
    3.9147   -8.2443    0.0000 C   0  0
    5.2112   -7.4898    0.0000 C   0  0
    5.2060   -5.9898    0.0000 C   0  0
    3.9044   -5.2443    0.0000 C   0  0
    6.5151   -8.2330    0.0000 N   0  3
    7.8104   -7.4767    0.0000 O   0  0
    6.5229   -9.7330    0.0000 O   0  5
   -0.0031    3.0008    0.0000 N   0  3
   -1.3032    3.7490    0.0000 O   0  0
    1.2946    3.7531    0.0000 O   0  5
   15.5079   -5.2403    0.0000 C   0  0
   14.2089   -4.4903    0.0000 C   0  0
   14.2089   -2.9903    0.0000 C   0  0
   12.9098   -2.2403    0.0000 C   0  0
   12.9098   -0.7403    0.0000 C   0  0
   11.6108   -2.9903    0.0000 N   0  0
   11.6108   -4.4903    0.0000 C   0  0
   12.9099   -5.2403    0.0000 N   0  0
   10.3118   -5.2403    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  2  0
 17 19  1  0
  3 20  1  0
 20 21  2  0
 20 22  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  2  0
 30 24  1  0
 29 31  1  0
M  CHG  4  17   1  19  -1  20   1  22  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12345

> <plate>
PLATE 018

> <well>
D5

> <supplier_cmpd_name>
Nicarbazin

> <ctcr_id>
11167

> <supplier_cmpd_id>
T3115

> <smiles>
c1cc(ccc1NC(=O)Nc1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-].Cc1cc(C)nc(n1)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Nicarbazin,330-95-0,330950,Nicarbazine,Nicoxin,Nicrazin,Nicrazine,Nicarb,Nirazin,"MK 75",UNII-11P9NUA12U,UNII11P9NUA12U,AI3-60130,AI360130,11P9NUA12U,CHEBI:81725,Nicarbasin,"1,3-Bis(4-nitrophenyl)ure
a 4,6-dimethylpyrimidin-2-ol (1:1)","1,3Bis(4nitrophenyl)urea 4,6dimethylpyrimidin2ol (1:1)",1,3-bis(4-nitrophenyl)urea,3bis(4nitrophenyl)urea,4,6-dimethyl,6dimethyl,T3115}

> <pdid>
PD069000

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{9507}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 41  0  0  0  0            999 V2000
   12.9658  -19.5343    0.0000 C   0  0
   11.6676  -18.7813    0.0000 N   0  0
   11.6698  -17.2804    0.0000 C   0  0
   12.9701  -16.5327    0.0000 N   0  0
   10.3716  -16.5273    0.0000 N   0  0
   10.3737  -15.0265    0.0000 C   0  0
   11.6740  -14.2788    0.0000 N   0  0
    9.0755  -14.2734    0.0000 N   0  0
    9.0776  -12.7726    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 N   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   12.9659  -21.0344    0.0000 C   0  0
   14.2649  -21.7844    0.0000 C   0  0
   15.5640  -21.0344    0.0000 C   0  0
   15.5640  -19.5344    0.0000 C   0  0
   14.2650  -18.7844    0.0000 C   0  0
   16.8630  -21.7844    0.0000 Cl  0  0
   20.6636  -10.5176    0.0000 C   0  0
   19.3644  -11.2672    0.0000 O   0  0
   20.6636   -9.0176    0.0000 C   0  0
   21.9629  -11.2672    0.0000 O   0  0
   25.7636  -10.5176    0.0000 C   0  0
   24.4643  -11.2672    0.0000 O   0  0
   25.7636   -9.0176    0.0000 C   0  0
   27.0629  -11.2672    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
  1 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33  1  1  0
 31 34  1  0
 35 36  2  0
 35 37  1  0
 35 38  1  0
 39 40  2  0
 39 41  1  0
 39 42  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12346

> <plate>
PLATE 018

> <well>
D6

> <supplier_cmpd_name>
Chlorhexidine Acetate

> <ctcr_id>
11168

> <supplier_cmpd_id>
T1000L

> <smiles>
c1(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(cc2)Cl)ccc(cc1)Cl.C(=O)(C)O.C(=O)(C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Chlorhexidine acetate",206986-79-0,206986790,MFCD00012532,"Chlorhexidine diacetate salt hydrate","Chlorhexidine Acetate,(S)","chlorhexidine acetate hydrate","Chlorhexidine Gluconate 20",BCP13778,BCP
18752,AK208881,SY036251,FT-0686552,FT0686552,5-PHEN,5PHEN,T1000L,"Chlorhexidine Acetate"}

> <pdid>

> <targets>
{HNMT,CAT}

> <classes>
{Microbiology&Virology,oxidation-reduction}

> <pubchem_cids>
{5967}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  1  0            999 V2000
    3.1904    2.6376    0.0000 O   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 N   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.1905   -2.6376    0.0000 C   0  0
    4.6589   -2.9478    0.0000 C   0  0
    5.1272   -4.3728    0.0000 C   0  0
    6.5954   -4.6799    0.0000 C   0  0
    7.5954   -3.5619    0.0000 C   0  0
    7.1272   -2.1368    0.0000 C   0  0
    5.6590   -1.8298    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.1253    4.3743    0.0000 C   0  0
    6.5929    4.6844    0.0000 O   0  0
    4.1233    5.4906    0.0000 O   0  0
   11.3954    2.2806    0.0000 O   0  0
   11.3954    0.7806    0.0000 C   0  0
   10.0961    0.0310    0.0000 O   0  0
   12.6954    0.0306    0.0000 C   0  0  1  0  0  0
   12.6954   -1.4694    0.0000 N   0  0
   13.9954    0.7806    0.0000 C   0  0
   15.2954    0.0306    0.0000 C   0  0
   16.5954    0.7806    0.0000 C   0  0
   17.8954    0.0306    0.0000 C   0  0
   19.1947    0.7802    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  4 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  1 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12347

> <plate>
PLATE 018

> <well>
D7

> <supplier_cmpd_name>
Bendazac L-lysine

> <ctcr_id>
11169

> <supplier_cmpd_id>
T3141

> <smiles>
O(c1nn(c2c1cccc2)Cc1ccccc1)CC(=O)O.OC(=O)[C@@H](N)CCCCN

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ENDAZAC LLYSIN","Bendazac L-lysine","Bendazac Llysine","Bendazac lysine",81919-14-4,81919144,UNII-CL7T957EGC,UNIICL7T957EGC,CL7T957EGC,"L-Lysine, 2-((1-(phenylmethyl)-1H-indazol-3-yl)oxy)acetate (1:
1)","LLysine, 2((1(phenylmethyl)1Hindazol3yl)oxy)acetate (1:1)",Bendalina,Bendaline,"Bendazaco lisina",C22H28N4O5,"Bendazaco lisina (Spanish)","AF 1934",825,T3141}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{13041095}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6060   -6.0003    0.0000 C   0  0
    2.6061   -7.5003    0.0000 C   0  0
    1.3071   -8.2503    0.0000 C   0  0
    0.0080   -7.5003    0.0000 C   0  0
    0.0080   -6.0003    0.0000 C   0  0
   -1.2910   -8.2504    0.0000 Br  0  0
    3.9051   -8.2502    0.0000 Br  0  0
    3.9051   -5.2503    0.0000 N   0  0
    0.0000    3.0000    0.0000 O   0  0
    6.4058   -2.6250    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14  9  1  0
 13 15  1  0
 11 16  1  0
 10 17  1  0
  3 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12348

> <plate>
PLATE 018

> <well>
D8

> <supplier_cmpd_name>
Ambroxol hydrochloride

> <ctcr_id>
3944

> <supplier_cmpd_id>
T6234

> <smiles>
C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O.Cl

> <pd_targets>
{LMNA,GBA,ALOX15,AMPC,TDP1,TSHR,CYP3A4,CYP2D6,SLC6A4,HIF1A,CYP1A2}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Membrane receptor",Transporter,"Transcription factor",Oxidoreductase,Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450","Electrochemical transporter","P
eptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 2","SLC superfamily of solute carriers","Cytochrome P450 family 1","Glycohormone receptor","Cytochrome P450 family 3
A","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","Cytochrome P450 family 1A","Cytochrome P450 3A4","Cytochrome P450 2D6","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"3.2.1.- Glycosidases","Eicosanoid turnover","G protein-coupled receptors","Cytochrome P450","SLC superfamily of solute carriers",Lipoxygenases,"Glycoprotein hormone re
ceptors","CYP3 family","CYP2 family: drug metabolising subset","SLC6 neurotransmitter transporter family","CYP1 family","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"DNA Repair",Disease,"Neuronal System","Cellular responses to external stimuli",Mitotic,"Metabolism of lipids","DNA Double-Strand Break Repair","Infectious disease","Biologica
l oxidations","Transmission across Chemical Synapses","Cellular responses to stress","M Phase","Sphingolipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Nonhomologous End-
Joining (NHEJ)","Leishmania infection","Phase I - Functionalization of compounds","Neurotransmitter clearance","Cellular response to hypoxia","Mitotic Metaphase and Anaphase","Glycosphingolipid metabo
lism","Biosynthesis of DPA-derived SPMs","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Serotonin clearance from the synap
tic cleft","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infecti
on","Biosynthesis of maresins",Xenobiotics,"Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflammatory cytokines production","Biosy
nthesis of maresin-like SPMs","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CYP3A4}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{RESTW36,"Ambroxol hydrochloride",23828-92-4,23828924,"Ambroxol HCl",Mucoangin,Mucosolvan,Ambroxolhydrochloride,"trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride","trans4((2Amino3,
5dibromobenzyl)amino)cyclohexanol hydrochloride","cis-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride","cis4((2Amino3,5dibromobenzyl)amino)cyclohexanol hydrochloride",UNII-CC995,UNIICC9
95,T0920,T6234,S3064,Prestw-366,Ambroxol}

> <pdid>
PD012068

> <targets>
{Autophagy,Glucosidase}

> <classes>
{Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{108013}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 33  0  0  1  0            999 V2000
    7.5987    7.3911    0.0000 Na  0  3
    5.0987    7.3911    0.0000 Na  0  3
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5925    4.6864    0.0000 C   0  0
   -7.0558    6.1131    0.0000 C   0  0
   -6.0520    7.2277    0.0000 C   0  0
   -4.5848    6.9156    0.0000 C   0  0
   -4.1215    5.4889    0.0000 C   0  0
   -6.5126    8.6561    0.0000 C   0  0
   -7.9792    8.9707    0.0000 O   0  0
   -5.5066    9.7698    0.0000 N   0  0
   -5.9672   11.1982    0.0000 C   0  0  1  0  0  0
   -4.9612   12.3120    0.0000 C   0  0
   -5.4218   13.7403    0.0000 C   0  0
   -4.4158   14.8541    0.0000 C   0  0
   -2.9492   14.5394    0.0000 O   0  5
   -4.8762   16.2817    0.0000 O   0  0
   -7.4340   11.5160    0.0000 C   0  0
   -8.4418   10.4050    0.0000 O   0  5
   -7.8928   12.9442    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  2  0
 18 20  1  0
 21 20  1  6
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 21 27  1  0
 27 28  1  0
 27 29  2  0
  9 30  2  0
 30 31  1  0
 31 32  1  0
 32  8  2  0
 32 33  1  0
 33  4  1  0
M  CHG  4   1   1   2   1  25  -1  28  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12349

> <plate>
PLATE 018

> <well>
D9

> <supplier_cmpd_name>
Pemetrexed Disodium Hydrate

> <ctcr_id>
11170

> <supplier_cmpd_id>
T6226

> <smiles>
[Na+].[Na+].Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)c[nH]c2[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Pemetrexed disodium",150399-23-8,150399238,Alimta,Rolazar,Tifolar,"Pemetrexed sodium hydrate","Pemetrexed sodium salt",CHEBI:63722,"Pemetrexed disodium heptahydrate",UNII-2PKU919BA9,UNII2PKU919BA9,2
PKU919BA9,"LY231514 DISODIUM SALT","LY-231514 DISOD","LY231514 DISOD",T6226,"Pemetrexed Disodium Hydrate"}

> <pdid>

> <targets>
{DHFR,DHFR,GARFT,"Thymidylate synthase"}

> <classes>
{"DNA Damage/DNA Repair",Metabolism}

> <pubchem_cids>
{135413520}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    0.1423    1.5763    0.0000 C   0  0
    0.0479    0.0793    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    2.8524   -0.2919    0.0000 O   0  0
    3.4192   -2.8384    0.0000 C   0  0
    4.4371   -3.9401    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 16 15  1  6
 16  6  1  0
 16 10  1  0
  7 17  1  0
 17  3  1  0
 17 18  1  1
 18 19  2  3
 19 20  1  0
 20  3  1  0
 20 21  1  1
 20 22  1  0
 22 23  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12350

> <plate>
PLATE 018

> <well>
D10

> <supplier_cmpd_name>
Gestodene

> <ctcr_id>
7133

> <supplier_cmpd_id>
T1490

> <smiles>
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C

> <pd_targets>
{PGR,LMNA,FFP}

> <pathway_gtopdb>
{"Transcription factor","Other nuclear protein",Enzyme,"Nuclear receptor",Transferase,"Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor su
bfamily 3 group C member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Cell Cycle","Post-translational protein modification",Mitotic,SUMOylation,"M Phase","SUMO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaphase","SUMOylation
 of intracellular receptors","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"contraceptive agent"}

> <synonyms>
{GESTODENE,60282-87-3,60282873,Gestoden,"Gestodenum (INN-Latin)","Gestodenum (INNLatin)","Gestodeno (INN-Spanish)","Gestodeno (INNSpanish)","SH B 331",UNII-1664P6E6MI,UNII1664P6E6MI,1664P6E6MI,SH-B-33
1,SHB331,Gestinol,"18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17a)-","18,19Dinorpregna4,15dien20yn3one, 13ethyl17hydroxy, (17a)",DSSTox_CID_26478,DSSToxCID26478,DSSTox-CID-26478,"
DSSTox CID 26478",DSSTox_RID_81649,DSSToxRID81649,DSSTox-RID-81649,"DSSTox RID 81649",DS,T1490,S1376,Gestodene}

> <pdid>
PD000497

> <targets>
{"Estrogen/progestogen Receptor"}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{3033968}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 Se  0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 N   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 O   0  0
    6.5000    2.2500    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12351

> <plate>
PLATE 018

> <well>
D11

> <supplier_cmpd_name>
Selenomethionine

> <ctcr_id>
11171

> <supplier_cmpd_id>
T1658

> <smiles>
C[Se]CCC(N)C(=O)O

> <pd_targets>
{FFP,LMNA,ALDH1A1,GPR84,HCAR3,FFAR1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transferase,Oxidoreductase,"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Carboxylic acid receptor","Hydroxycarbox
ylic acid receptor","Lipid-like ligand receptor (family A GPCR)","Free fatty acid receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Orphan and other 7TM receptors","Class A Orphans","Hydroxycarboxylic acid receptors","Free fatty acid receptors"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Mitotic,"Biological oxidations","M Phase","Phase I - Functionalization of compounds","Mitotic Metaphase and Anaphase","Ethanol oxidation","Mitotic Anaphase","Nuclear Envelope 
(NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation",Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring L
eishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production","Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Hydroxyc
arboxylic acid-binding receptors","Integration of energy metabolism","Regulation of insulin secretion","Free fatty acids regulate insulin secretion","Fatty Acids bound to GPR40 (FFAR1) regulate insuli
n secretion"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Selenomethionine,DL-Selenomethionine,DLSelenomethionine,1464-42-2,1464422,"Butanoic acid, 2-amino-4-(methylseleno)-","Butanoic acid, 2amino4(methylseleno)",2578-28-1,2578281,(+-)-Selenomethionine,(+)
Selenomethionine,"SELENIUM METHIONINE","Methionine, seleno","2-amino-4-(methylselanyl)butanoic acid","2amino4(methylselanyl)butanoic acid","Selenomethionine (van)",2-amin,2amin,T1658,T4765,L-Norleucin
e}

> <pdid>
PD000174

> <targets>
{"Amino Acids and Derivatives"}

> <classes>
{Others}

> <pubchem_cids>
{15103}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    5.2011   -1.5115    0.0000 C   0  0
    5.1959   -3.0115    0.0000 C   0  0
    6.4926   -3.7656    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8891   -6.7578    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -2.5998    3.0004    0.0000 F   0  0
   -3.8976    0.7500    0.0000 F   0  0
   -3.8982    2.2498    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  3  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12352

> <plate>
PLATE 018

> <well>
E2

> <supplier_cmpd_name>
Teriflunomide

> <ctcr_id>
4719

> <supplier_cmpd_id>
T3044

> <smiles>
CC(O)=C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)but-2-enamide,2cyano3hydroxyN(4(trifluoromethyl)phenyl)but2enamide,"2 cyano 3 hydroxy N (4 (trifluoromethyl)phenyl)but 2 enamide",1185240-22-5,118524022
5,"1185240 22 5","Teriflunomide-E Isomer","TeriflunomideE Isomer",T3044,S4169,Teriflunomide}

> <pdid>
PD010419

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{54677977}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 26  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    3.5592   -2.5175    0.0000 C   0  0
    5.0592   -2.5177    0.0000 C   0  0
    5.8094   -1.2187    0.0000 N   0  0
    5.0972    0.1561    0.0000 C   0  0  2  0  0  0
    5.7073    1.5264    0.0000 C   0  0  1  0  0  0
    4.8256    2.7399    0.0000 C   0  0
    3.3339    2.5831    0.0000 C   0  0
    2.4519    3.7965    0.0000 C   0  0
    7.2432    1.5119    0.0000 C   0  0
    8.0366    0.2389    0.0000 C   0  0
    7.3308   -1.0847    0.0000 C   0  0
    6.5423    0.2773    0.0000 C   0  0
    6.1011   -0.6201    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  2  7  1  0
  7  8  1  0
  8  9  1  0
  9  1  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 13 12  1  1
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16  7  1  0
 16 17  2  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 20 12  1  0
 14 21  1  6
 21 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12353

> <plate>
PLATE 018

> <well>
E3

> <supplier_cmpd_name>
Eburnalritardo

> <ctcr_id>
11172

> <supplier_cmpd_id>
T2149

> <smiles>
c12c(cccc1)N1C3C2CCN2[C@@H]3[C@@](CC1=C)(CCC2)CC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T2149,Eburnalritardo}

> <pdid>
PD098701

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{132399053}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  8  0  0  0  0            999 V2000
    6.8954   -1.7782    0.0000 Cl  0  0
    4.3954   -1.7782    0.0000 Cl  0  0
    1.8949   -4.8318    0.0000 N   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12354

> <plate>
PLATE 018

> <well>
E4

> <supplier_cmpd_name>
Histamine

> <ctcr_id>
1227

> <supplier_cmpd_id>
T0965

> <smiles>
Cl.Cl.NCCc1[nH]cnc1

> <pd_targets>
{HRH2,HRH4,HRH3,HRH1,TSHR,FFP,HTR7,TAAR1,LMNA,CA1,CA7,CA5A}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein","Family A G protein-coupled receptor",Transferase,Lyase,"Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Monoamine rece
ptor","Glycohormone receptor","Histamine receptor","Serotonin receptor","Trace amine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Carbonic anhydrases","Histamine receptors","Glycoprotein hormone receptors","5-Hydroxytryptamine receptors","Trace amine receptor"}

> <pathway_reactome>
{Disease,"Signal Transduction","Cell Cycle","Immune System",Metabolism,"Infectious disease","Signaling by GPCR",Mitotic,"Cytokine Signaling in Immune system","Reversible hydration of carbon dioxide","
Leishmania infection","GPCR ligand binding","M Phase","Signaling by Interleukins","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase","Int
erleukin-12 family signaling","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Mitotic Anaphase","Interleukin-12 signaling","ADORA2B mediated anti
-inflammatory cytokines production","Histamine receptors","Nuclear Envelope (NE) Reassembly","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Initiation of Nuclear
 Envelope (NE) Reformation"}

> <broad_targets>
{HRH1,HRH2,HRH3,HRH4}

> <broad_moa>
{"histamine receptor agonist"}

> <synonyms>
{"histamine dihcl",Bichlorhydrated'Histamine,"Histamine dihydrochloride",56-92-8,56928,"Histamine 2HCl","2-(1H-Imidazol-4-yl)ethanamine dihydrochloride","2(1HImidazol4yl)ethanamine dihydrochloride","1
H-Imidazole-4-ethanamine dihydrochloride","1HImidazole4ethanamine dihydrochloride","1H-Imidazole-4-ethanamine, dihydrochloride","1HImidazole4ethanamine, dihydrochloride",per,T6534,T0965,S4118,1500331,
Histamine,"HISTAMINE DIHYDROCHLORIDE"}

> <pdid>
PD012019

> <targets>
{"Histamine Receptor"}

> <classes>
{"Neuronal Signaling","H receptor agonist","induces edema in mammalian tissues; gastric secretion stimulant"}

> <pubchem_cids>
{57504843,11309913,5818,57501470}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 36  0  0  0  0            999 V2000
   15.5002   -7.5017    0.0000 Br  0  5
   12.9995   -1.4792    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -1.3040   -9.7511    0.0000 C   0  0
   -2.6017  -10.5034    0.0000 O   0  0
   -0.0032  -10.4997    0.0000 O   0  0
   -0.0001  -12.0006    0.0000 C   0  0
    1.3007  -12.7491    0.0000 C   0  0
    1.3038  -14.2500    0.0000 N   0  3
    2.6015  -13.4977    0.0000 C   0  0
    2.6046  -14.9985    0.0000 C   0  0
    2.6076  -16.4985    0.0000 C   0  0
    0.0054  -15.0026    0.0000 C   0  0
    0.0070  -16.5026    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 31 35  1  0
 35 36  1  0
M  CHG  2   1  -1  31   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12355

> <plate>
PLATE 018

> <well>
E5

> <supplier_cmpd_name>
Solifenacin succinate

> <ctcr_id>
6628

> <supplier_cmpd_id>
T0111

> <smiles>
[Br-].CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC[N+](C)(CC)CC

> <pd_targets>
{KMT2A,FFP}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Transferase,Bromodomain}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","RUNX1 regulates genes involved in megakaryocyte differentiat
ion and platelet function"}

> <broad_targets>
{CACNA1C}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{26095-59-0,26095590,"26095 59 0","Octylonium bromide",Octylonium,"Otilonium (bromide)",SP63,UNII-21HN3N72PV,UNII21HN3N72PV,"UNII 21HN3N72PV",21HN3N72PV,Spasmomen,DSSTox_CID_26357,DSSToxCID26357,DSSTo
x-CID-26357,"DSSTox CID 26357",DSSTox_RID_81559,DSSToxRID81559,DSSTox-RID-81559,"DSSTox RID 81559",DSSTox_GSID_46357,DSSToxGSID46357,DSSTox-GSID-46357,"DSSTox GSID 46357","Otilonii bromidum","Ottiloni
o bromuro","Ottilonio bromuro (Italian)",T1474,S3047,S3048,"Otilonium bromide","Solifenacin succinate","Otilonium Bromide"}

> <pdid>
PD014241

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{72092}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12356

> <plate>
PLATE 018

> <well>
E6

> <supplier_cmpd_name>
Synephrine

> <ctcr_id>
3322

> <supplier_cmpd_id>
T1287

> <smiles>
CNCC(O)c1ccc(O)cc1

> <pd_targets>
{AMPC,THPO,ALDH1A1,BLM,CHRM1,SMN1,HTR1A,NMUR2,HIF1A,CYP2C9}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor","Epigenetic regulator",Hydrolase,Oxidoreductase,"Family A G protein-coupled receptor",Reader,"Small molecule receptor (family A GPCR)","Methyl-lysine
/arginine binding protein","Peptide receptor (family A GPCR)","Monoamine receptor","Tudor domain","Short peptide receptor (family A GPCR)","Acetylcholine receptor","Serotonin receptor","Neuromedin U r
eceptor","Transcription factor","Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 2C","Cytochrome P450 2C9"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)","5-Hydroxytryptamine receptors","Neuromedin U receptors",Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subse
t"}

> <pathway_reactome>
{Hemostasis,Metabolism,"DNA Repair","Signal Transduction","Metabolism of RNA","Platelet activation","signaling and aggregation","Biological oxidations","DNA Double-Strand Break Repair","Signaling by G
PCR","Metabolism of non-coding RNA","Platelet Aggregation (Plug Formation)","Phase I - Functionalization of compounds","Homology Directed Repair","GPCR ligand binding","snRNP Assembly","Ethanol oxidat
ion","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR)","Amine ligand-binding receptors",
"Peptide ligand-binding receptors","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine receptors","Serotonin receptors","Presynaptic phase of homologous DNA pairing and strand excha
nge","Cellular responses to external stimuli","Cellular responses to stress","Cellular response to hypoxia","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 
- arranged by substrate type",Xenobiotics,"CYP2E1 reactions"}

> <broad_targets>
{ADRA1A}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{Synephrine,Oxedrine,94-07-5,94075,p-Synephrine,pSynephrine,Parasympatol,Sympaethamine,Sympatol,Sympaethamin,Analeptin,Simpatol,Simpalon,Synephrin,Synthenate,(+/-)-Synephrine,(+/)Synephrine,Sympathol,
p-Oxedrine,pOxedrine,4-(1-Hydroxy-2-(methylamino)ethyl)phenol,4(1Hydroxy2(methylamino)ethyl)phenol,Ethaphene,DL-SYNEPHRINE,DLSYNEPHRINE,T1287,S2362,SAM001246896,Prestw-1088,CPD000059111,"(+,-)-Synephr
ine"}

> <pdid>
PD000201

> <targets>
{Androgen Receptor,Adrenergic Receptor,Endogenous Metabolite}

> <classes>
{GPCR & G Protein,GPCR/G Protein,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{7172}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2954    3.7535    0.0000 C   0  0
   -2.5931    4.5058    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0
    5.2088    5.9860    0.0000 Cl  0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
    1.2910   -8.2504    0.0000 I   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -3.9051   -8.2503    0.0000 I   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -3.9051   -5.2503    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  3  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  4 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18  2  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 22  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12357

> <plate>
PLATE 018

> <well>
E7

> <supplier_cmpd_name>
Closantel

> <ctcr_id>
1166

> <supplier_cmpd_id>
T0237

> <smiles>
Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c3cc(I)cc(I)c3O

> <pd_targets>
{KINA,SPO0F,KMT2A,MEN1,FFP,MAPK14,HSPD1,HSPE1,THRB,RORC,L3MBTL1,BLM,SKA,MAPK1,GROES,GROL,ADORA3,ADRA2B,SLC6A3,SLC22A1,ADRA2C,PTGS2,EGFR,ACHE,FYN,CYP3A4,ERBB2,LCK,TBXAS1,CYP2C9}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Transcription factor","Unclassified protein","Membrane receptor",Transporter,Kinase,Reader,Transferase,"Nuclear receptor","Family A G protein-
coupled receptor","Electrochemical transporter",Oxidoreductase,Hydrolase,"Cytochrome P450","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Methyl-lysine/arginine binding protein",
"Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 3","Cytochrome P450 family 5","Cytochrome P450 family 2","CMGC protein kinase group","Nuclear hor
mone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 1 group F","MBT domain","Nucleotide-like receptor (family A GPCR)","Monoamine receptor","SLC06 neurotransmitter transporter famil
y","SLC22 family of organic cation and anion transporters","TK protein kinase group","Cytochrome P450 family 3A","Cytochrome P450 family 5A","Cytochrome P450 family 2C","CMGC protein kinase MAPK famil
y","Nuclear hormone receptor subfamily 1 group A member 2","Nuclear hormone receptor subfamily 1 group F member 3","Adenosine receptor","Adrenergic receptor","Tyrosine protein kinase EGFR family","Tyr
osine protein kinase Src family","Cytochrome P450 3A4","Cytochrome P450 5A1","Cytochrome P450 2C9","CMGC protein kinase p38 subfamily","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Chromatin modifying enzymes","G protein-coupled receptors","SLC superfamily of solute carriers","Eicosanoid turnover
","Catalytic receptors","Acetylcholine turnover","Cytochrome P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1A. Thyroid hormone receptors","1F. Retinoic acid-related orphans","2.1.1.43 Histone
 methyltransferases (HMTs)","Adenosine receptors",Adrenoceptors,"SLC6 neurotransmitter transporter family","SLC22 family of organic cation and anion transporters",Cyclooxygenase,"Receptor kinases","CY
P3 family",CYP5,"CYP7 and CYP8 families","CYP2 family: drug metabolising subset","Mitogen-activated protein kinases (MAP kinases)","Monoamine transporter subfamily","Organic cation transporters (OCT)"
,"TK: Tyrosine kinase","p38 subfamily","ERK subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src fam
ily"}

> <pathway_reactome>
{"Immune System","Metabolism of proteins","Gene expression (Transcription)","DNA Repair","Signal Transduction",Disease,"Transport of small molecules",Metabolism,"Developmental Biology","Innate Immune 
System","Post-translational protein modification","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Signaling by GPCR","Disorders of transmembrane transporters","SLC-mediated transme
mbrane transport","Metabolism of lipids","Infectious disease","Nervous system development","Biological oxidations","Toll-like Receptor Cascades",SUMOylation,"Generic Transcription Pathway","Homology D
irected Repair","GPCR ligand binding","SLC transporter disorders","Transport of bile salts and organic acids","metal ions and amine compounds","Biosynthesis of specialized proresolving mediators (SPMs
)","GPCR downstream signalling","Phospholipid metabolism","HIV Infection","Axon guidance","Phase I - Functionalization of compounds","Toll Like Receptor 5 (TLR5) Cascade","SUMO E3 ligases SUMOylate ta
rget proteins","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by R
UNX1","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Organic cation/anion/zwitterion transport","Biosynthesis of DPA-derived SPMs","G alpha (
q) signalling events","Glycerophospholipid biosynthesis","Host Interactions of HIV factors","Biosynthesis of DHA-derived SPMs","Semaphorin interactions","Cytochrome P450 - arranged by substrate type",
"MyD88 cascade initiated on plasma membrane","SUMOylation of intracellular receptors","RUNX3 Regulates Immune Response and Cell Migration","Regulation of TP53 Activity","HDR through Homologous Recombi
nation (HRR)","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Nucleotide-like (purinergic) receptors","Amine ligand-binding receptors","Organic cation transpor
t","Biosynthesis of DPAn-3 SPMs","Gastrin-CREB signalling pathway via PKC and MAPK","Synthesis of PC","The role of Nef in HIV-1 replication and disease pathogenesis","Biosynthesis of maresins","Sema4D
 in semaphorin signaling",Eicosanoids,Xenobiotics,"MAP kinase activation","Regulation of TP53 Activity through Methylation","Homologous DNA Pairing and Strand Exchange","Adenosine P1 receptors",Adreno
ceptors,"EGFR Transactivation by Gastrin","Nef and signal transduction","Biosynthesis of maresin-like SPMs","Sema4D induced cell migration and growth-cone collapse","Nef-mediates down modulation of ce
ll surface receptors by recruiting them to clathrin adapters","CYP2E1 reactions","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange
","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"chitinase inhibitor","NFkB pathway inhibitor"}

> <synonyms>
{Closantel,57808-65-8,57808658,CHEMBL12131,MLS001332593,CHEBI:77054,"57808-65-8 (free acid)","57808658 (free acid)","R 31,520",NCGC00166312-01,NCGC0016631201,SMR000857079,DSSTox_CID_20662,DSSToxCID206
62,DSSTox-CID-20662,"DSSTox CID 20662",DSSTox_RID_79527,DSSToxRID79527,DSSTox-RID-79527,"DSSTox RID 79527",DSSTox_GSID_40662,DSSToxGSID40662,DSSTox-GSID-40662,"DSSTox GSID 40662",C22H14Cl2I2N2O2,Closa
ntelum,"Closantel base","Closantelum (INN-Latin)","Closantelum (INNLatin)",T0237,S4106,Prestw-1385}

> <pdid>
PD000676

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{42574}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 40  0  0  1  0            999 V2000
    5.0987   -3.2469    0.0000 Na  0  3
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0  1  0  0  0
   -2.5981   -4.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0  1  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 O   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0  1  0  0  0
   -6.2918   -4.0166    0.0000 C   0  0
   -5.6729   -5.3830    0.0000 C   0  0  2  0  0  0
   -4.1822   -5.2166    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0  2  0  0  0
   -3.0830   -4.3307    0.0000 C   0  0
   -6.4164   -6.6837    0.0000 O   0  0
   -5.6612   -7.9807    0.0000 C   0  0
   -4.1612   -7.9747    0.0000 C   0  0
   -6.4056   -9.2830    0.0000 O   0  0
   -7.7611   -3.7227    0.0000 C   0  0
   -8.2429   -2.3013    0.0000 C   0  0
   -9.7145   -2.0069    0.0000 C   0  0
  -10.1963   -0.5855    0.0000 C   0  0
  -11.6680   -0.2911    0.0000 C   0  0
  -12.1495    1.1295    0.0000 C   0  0
  -12.6579   -1.4182    0.0000 C   0  0
   -8.7538   -4.8483    0.0000 C   0  0
   -8.2752   -6.2699    0.0000 O   0  5
  -10.2243   -4.5524    0.0000 O   0  0
  3  2  1  1
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10  3  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  1
 15 13  1  1
 15  8  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 19 18  1  6
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 13  1  0
 23 19  1  0
 23 24  1  6
 21 25  1  6
 25 26  1  0
 26 27  1  0
 26 28  2  0
 20 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  3
 33 34  1  0
 33 35  1  0
 29 36  1  0
 36 37  1  0
 36 38  2  0
M  CHG  2   1   1  37  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12358

> <plate>
PLATE 018

> <well>
E8

> <supplier_cmpd_name>
Sodium fusidate

> <ctcr_id>
4919

> <supplier_cmpd_id>
T1289

> <smiles>
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW39,"Sodium fusidate",MLS000028650,SMR000059232,751-94-0,751940,"FUSIDIC ACID SODIUM SALT",Opera_ID_1886,OperaID1886,Opera-ID-1886,"Opera ID 1886",CHEMBL2106707,HMS2096M21,HMS2234J14,HMS3713M21,A
KOS030502080,CCG-220390,CCG220390,T1289,Prestw-390,"Fusidic acid sodium salt"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23690471}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 O   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12359

> <plate>
PLATE 018

> <well>
E9

> <supplier_cmpd_name>
Moclobemide

> <ctcr_id>
4211

> <supplier_cmpd_id>
T0084

> <smiles>
Clc1ccc(cc1)C(=O)NCCN2CCOCC2

> <pd_targets>
{MAOA,MAOB,KCNH2,HTR1A,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor",Oxidoreductase,"Voltage-gated ion channel","Family A G protein-coupled receptor","Potassium channels","Small molecule receptor (family A GPCR)","Voltage-gated
 potassium channel","Monoamine receptor","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Catecholamine turnover","Voltage-gated ion channels","G protein-coupled receptors","Potassium channels","5-Hydroxytryptamine receptors","Voltage-gated potassium chan
nels"}

> <pathway_reactome>
{Metabolism,"Muscle contraction","Signal Transduction","Biological oxidations","Cardiac conduction","Signaling by GPCR","Phase I - Functionalization of compounds","Phase 3 - rapid repolarisation","GPC
R ligand binding","Amine Oxidase reactions","Class A/1 (Rhodopsin-like receptors)","Ethanol oxidation","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Amine ligand-binding 
receptors","Serotonin receptors"}

> <broad_targets>
{MAOA,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{moclobemide,71320-77-9,71320779,Aurorix,Moclobemid,Manerix,Moclamine,Moclaime,Moclobemidum,Moclamide,Moclobemida,4-chloro-N-(2-morpholinoethyl)benzamide,4chloroN(2morpholinoethyl)benzamide,"Moclobemi
dum (INN-Latin)","Moclobemidum (INNLatin)","Moclobemida (INN-Spanish)","Moclobemida (INNSpanish)",p-Chloro-N-(2-morpholinoethyl)benzamide,pChloroN(2morpholinoethyl)benzamide,Mo,T0084,SAM001246614,Pres
tw-353,Moclobemide,CPD000012114}

> <pdid>
PD003171

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4235}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
  -12.2597  -11.5113    0.0000 F   0  0
  -11.1748  -10.4754    0.0000 C   0  0
  -11.5295   -9.0179    0.0000 C   0  0
  -10.4446   -7.9820    0.0000 C   0  0
   -9.0050   -8.4035    0.0000 C   0  0
   -8.6504   -9.8611    0.0000 C   0  0
   -9.7353  -10.8970    0.0000 C   0  0
   -7.9175   -7.3693    0.0000 C   0  0
   -8.2696   -5.9112    0.0000 O   0  0
   -6.4777   -7.7931    0.0000 C   0  0
   -5.3902   -6.7589    0.0000 C   0  0
   -3.9504   -7.1827    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 N   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 C   0  0
   -3.2175   -4.6910    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 19  1  0
 28 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12360

> <plate>
PLATE 018

> <well>
E10

> <supplier_cmpd_name>
Droperidol

> <ctcr_id>
5208

> <supplier_cmpd_id>
T0990

> <smiles>
Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)N3C(=O)Nc4ccccc34

> <pd_targets>
{KDM4E,CYP3A4,HTR4,KCNH2,LMNA,HIF1A,ADRA1A,DRD2,RORC,CYP2D6,SCN1A,SCN2A,SCN3A,KMT2A,MEN1,POLB,MAPT,LEF,ADRA1B,AMPC,MAPK1,ADRA1D,DRD3,CHRM4,HTR1A,ADRA2A,HRH1,HTR2C,HTR2A,ADRA2C,ADRA2B,CHRM5,CACNA1C,CAC
NA1D,CACNA1F,CACNA1S,HTR2B,DRD4,PMP22,FTL}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Membrane receptor","Ion channel","Other nuclear protein","Transcription factor","Other cytosolic protein","Unclassified protein",Eraser,"Cytochrome P450","Family A G pr
otein-coupled receptor","Voltage-gated ion channel","Nuclear receptor",Reader,Protease,Hydrolase,Kinase,"Lysine demethylase","Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Potas
sium channels","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2","Voltage-gated sodium channel",Bromodomain,"Metallo protease","Protein Kinase","Voltage-gated calcium channel","Jumonji
 domain-containing","Cytochrome P450 family 3A","Monoamine receptor","Voltage-gated potassium channel","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 2D","Metallo protease MAE 
clan","CMGC protein kinase group","Cytochrome P450 3A4","Serotonin receptor","Adrenergic receptor","Dopamine receptor","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2D6","Me
tallo protease M34 family","CMGC protein kinase MAPK family","Acetylcholine receptor","Histamine receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Chromatin modifying enzymes","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","1.14.11
.- Histone demethylases","CYP3 family","5-Hydroxytryptamine receptors","Potassium channels",Adrenoceptors,"Dopamine receptors","1F. Retinoic acid-related orphans","CYP2 family: drug metabolising subse
t","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors (muscarinic)","Histamine receptors","Voltage-gated potassium channels","Mitogen-activated protein kinases (MAP kinases)","ER
K subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Muscle contraction","Cell Cycle","Cellular responses to external stimuli","Signal Transduction","Gene expression (Transcription)","DNA Repair","Neuronal System","Immune System","D
evelopmental Biology","Vesicle-mediated transport","Metabolism of lipids","Infectious disease","Cardiac conduction",Mitotic,"Cellular responses to stress","Signaling by GPCR","RNA Polymerase II Transc
ription","Biological oxidations","Base Excision Repair","Transmission across Chemical Synapses","Innate Immune System","Nervous system development","Membrane Trafficking","Biosynthesis of specialized 
proresolving mediators (SPMs)","Leishmania infection","Phase 3 - rapid repolarisation","M Phase","Cellular response to hypoxia","GPCR ligand binding","Generic Transcription Pathway","Phase I - Functio
nalization of compounds","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and postsynaptic signal transmission","Uptake and actions of bacterial toxins","Toll-like Receptor Cascades
","EGR2 and SOX10-mediated initiation of Schwann cell myelination","trans-Golgi Network Vesicle Budding","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Mitotic Metaphase
 and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by su
bstrate type","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax toxins","Toll Like R
eceptor 5 (TLR5) Cascade","Golgi Associated Vesicle Biogenesis","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Amine ligand-binding
 receptors","RUNX3 Regulates Immune Response and Cell Migration",Xenobiotics,"PCNA-Dependent Long Patch Base Excision Repair","Post NMDA receptor activation events","MyD88 cascade initiated on plasma 
membrane","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"Dopamine receptors","CYP2E1 reactions","Activa
tion of AMPK downstream of NMDARs","MAP kinase activation","Muscarinic acetylcholine receptors","Serotonin receptors","Histamine receptors","Initiation of Nuclear Envelope (NE) Reformation","MAPK targ
ets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADRA1A,DRD2,DRD3,DRD4,HTR2A}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{droperidol,548-73-2,548732,Droleptan,Inapsine,Dehydrobenzperidol,Dridol,Properidol,Sintodril,Sintosian,Inapsin,Vetkalm,Halkan,Deidrobenzperidolo,Inopsin,Innovar,Inappin,Innovan,McN-JR-4749,McNJR4749,
Inoval,Dehidrobenzperidol,Droperidolum,Droperidolo,Leptanal,Le,T0990,SAM001247013,1501002,Prestw-360,Droperidol,CPD000058855,DROPERIDOL}

> <pdid>
PD001512

> <targets>
{}

> <classes>
{neuroleptic}

> <pubchem_cids>
{3168}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 30  0  0  1  0            999 V2000
   -2.6395    3.8685    0.0000 O   0  0
   -1.3618    3.0827    0.0000 C   0  0
    0.0000    3.7710    0.0000 C   0  0
    1.0625    3.0827    0.0000 C   0  0
    1.0625    1.6760    0.0000 C   0  0
    2.3045    0.9727    0.0000 C   0  0
    2.3045   -0.4040    0.0000 C   0  0  1  0  0  0
    3.2622   -1.0625    0.0000 N   0  0
    3.2622   -1.9005    0.0000 C   0  0
    0.0000   -1.9005    0.0000 C   0  0
    0.0000   -0.4040    0.0000 C   0  0
   -1.3618   -1.1223    0.0000 C   0  0  1  0  0  0
   -2.5589    0.2394    0.0000 O   0  0
   -1.3618    1.6760    0.0000 C   0  0
    0.0000    0.9727    0.0000 C   0  0
   -1.3618   -2.5589    0.0000 C   0  0
   -2.6462   -3.3336    0.0000 O   0  0
    0.0000   -3.2772    0.0000 C   0  0
    1.0774   -2.5589    0.0000 C   0  0
    1.0774   -1.1373    0.0000 C   0  0  1  0  0  0
    2.3821   -1.8775    0.0000 O   0  0
    4.6577   -0.4958    0.0000 C   0  0
    5.8415   -1.4184    0.0000 C   0  0
    7.2549   -1.5708    0.0000 C   0  0
    6.3315   -2.7529    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  6
 13 14  1  0
 14  2  1  0
 14 15  2  0
 15  5  1  0
 15 11  1  0
 12 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20  7  1  0
 20 11  1  0
 20 21  1  1
  8 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12361

> <plate>
PLATE 018

> <well>
E11

> <supplier_cmpd_name>
Naltrexone hydrochloride

> <ctcr_id>
5424

> <supplier_cmpd_id>
T0963

> <smiles>
Oc1ccc2C[C@H]3N(CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC6CC6

> <pd_targets>
{CHRNA7,OPRK1,OPRM1,OPRD1,CHRNA4,TGR,CYP2D6,SIGMAR1}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor",Enzyme,"Ligand-gated ion channel","Family A G protein-coupled receptor","Cytochrome P450","Nicotinic acetylcholine receptor","Peptide receptor (family A GPCR)","Cyto
chrome P450 family 2","Nicotinic acetylcholine receptor alpha subunit","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2D","Opioid receptor","Cytochrome P450 2D6"}

> <pathway_chembl>
{"Ion channels",Receptors,Enzymes,"Ligand-gated ion channels","G protein-coupled receptors","Cytochrome P450","Nicotinic acetylcholine receptors","Opioid receptors","CYP2 family: drug metabolising sub
set"}

> <pathway_reactome>
{"Neuronal System","Gene expression (Transcription)","Signal Transduction",Metabolism,"Transmission across Chemical Synapses","RNA Polymerase II Transcription","Signaling by GPCR","Biological oxidatio
ns","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","GPCR downstream signalling","GPCR ligand binding","Phase I - Functionalization of compounds","Ace
tylcholine binding and downstream events","Transcriptional Regulation by MECP2","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","P
ostsynaptic nicotinic acetylcholine receptors","MECP2 regulates neuronal receptors and channels","Opioid Signalling","Peptide ligand-binding receptors",Xenobiotics,"Highly calcium permeable postsynapt
ic nicotinic acetylcholine receptors","G-protein activation","CYP2E1 reactions"}

> <broad_targets>
{OPRD1,OPRK1,OPRM1,SIGMAR1}

> <broad_moa>
{"opioid receptor antagonist"}

> <synonyms>
{Spectrum_001645,Spectrum001645,Spectrum-001645,"Spectrum 001645",Spectrum2_001547,Spectrum2001547,Spectrum2-001547,"Spectrum2 001547",Spectrum3_001587,Spectrum3001587,Spectrum3-001587,"Spectrum3 0015
87",Spectrum4_000639,Spectrum4000639,Spectrum4-000639,"Spectrum4 000639",Spectrum5_000976,Spectrum5000976,Spectrum5-000976,"Spectrum5 000976",BSPBio_003154,BSPBio003154,BSPBio-003154,"BSPBio 003154",K
BioGR_001258,KBioGR001258,KBioGR-001258,"KBioGR 001258",KBioSS_002125,KBioSS002125,KBioSS-002125,"KBioSS 002125",DivK1c_000547,DivK1c000547,DivK1c-000547,"DivK1c 000547",SPECTRUM1503262,SPBio_001394,S
PBio001394,SPBio-001394,"SPBio 001394",SCHEMBL13050619,CHEBI:91813,HMS501L09,KBio1_000547,KBio1000547,KBio1-000547,"KBio1 000547",KBio2_00,KBio200,KBio2-00,"KBio2 00",1503262,"NALTREXONE HYDROCHLORIDE
"}

> <pdid>
PD010071

> <targets>
{}

> <classes>
{"morphine antagonist"}

> <pubchem_cids>
{5702239}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 Cl  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 S   0  0
   -2.5800    0.0304    0.0000 O   0  0
   -1.2638   -2.2496    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12362

> <plate>
PLATE 018

> <well>
F2

> <supplier_cmpd_name>
Diazoxide

> <ctcr_id>
5769

> <supplier_cmpd_id>
T0126

> <smiles>
CC1=Nc2ccc(Cl)cc2[S](=O)(=O)N1

> <pd_targets>
{RORC,LMNA,CYP2D6,AMPC,TSHR,CYP3A4,CYP1A2,ABCC8,KCNJ11,THRB,KCNJ8,CA1,CA2,ATP1A1,KCNMA1}

> <pathway_gtopdb>
{"Transcription factor","Other nuclear protein",Enzyme,"Membrane receptor","Ion channel",Transporter,"Nuclear receptor","Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor","Voltage-gated
 ion channel",Lyase,"Primary active transporter","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family
 1","Potassium channels","P-type ATPase","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 2D","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Inw
ardly rectifying potassium channel","Nuclear hormone receptor subfamily 1 group A","Sodium potassium ATPase","Calcium-activated potassium channel","Nuclear hormone receptor subfamily 1 group F member 
3","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"Nuclear hormone receptors","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","Carbonic anhydrases","P-type ATPases","1F. Reti
noic acid-related orphans","CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","CYP3 family","CYP1 family","Potassium channels","1A. Thyroid hormone receptors","P2C P-type ATPases
","Inwardly rectifying potassium channels",Na<sup>+</sup>/K<sup>+</sup>-ATPases,"Calcium- and sodium-activated potassium channels"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle",Metabolism,Disease,"Metabolism of proteins","Neuronal System","Immune System","Transport of small molecules",Hemostasis,"RNA Polymerase II Transcription
",Mitotic,"Biological oxidations","Infectious disease","Metabolism of lipids","Disorders of transmembrane transporters","Post-translational protein modification","Potassium Channels","Cytokine Signali
ng in Immune system","O2/CO2 exchange in erythrocytes","Platelet homeostasis","Generic Transcription Pathway","M Phase","Phase I - Functionalization of compounds","Leishmania infection","Biosynthesis 
of specialized proresolving mediators (SPMs)","ABC transporter disorders",SUMOylation,"Inwardly rectifying K+ channels","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxy
gen","SARS-CoV Infections","Nitric oxide stimulates guanylate cyclase","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Leishmania
 parasite growth and survival","Biosynthesis of DHA-derived SPMs","Defective ABCC8 can cause hypo- and hyper-glycemias","SUMO E3 ligases SUMOylate target proteins","ATP sensitive Potassium channels","
Interleukin-12 family signaling","Potential therapeutics for SARS","cGMP effects","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase",Xenobiotics,"Anti-inflammatory response favour
ing Leishmania parasite infection","Biosynthesis of maresins","SUMOylation of intracellular receptors","Interleukin-12 signaling","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","ADORA2B mediate
d anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Gene and protein expression by JAK-STAT signaling afte
r Interleukin-12 stimulation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ATP1A1,CA1,CA2,KCNJ11,KCNJ8,KCNMA1,SLC12A3}

> <broad_moa>
{"potassium channel activator"}

> <synonyms>
{364-98-7,364987,Proglycem,Eudemine,Hyperstat,Hypertonalum,Proglicem,Dizoxide,Mutabase,"7-Chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide","7Chloro3methyl2H1,2,4benzothiadiazine 1,1dioxide",Diaz
ossido,"Sch 6783",Sch-6783,Sch6783,Diazoxido,Diazoxidum,"SRG 95213",SRG-95213,SRG95213,C8H7ClN2O2S,2H-1,2H1,2,4-Be,4Be,SAM001246872,2300206,Prestw-87,CPD000058392,DIAZOXIDE,Diazoxide}

> <pdid>
PD000067

> <targets>
{Autophagy,Potassium Channel}

> <classes>
{antihypertensive,diuretic,activates K channels and AMPA receptors,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{3019}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  1  0            999 V2000
    2.6044   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
    1.2990   -2.2500    0.0000 O   0  0
    2.6003    1.4978    0.0000 O   0  0
    3.8990    0.7455    0.0000 C   0  0  1  0  0  0
    5.2007    1.4910    0.0000 C   0  0  1  0  0  0
    6.4972    0.7365    0.0000 C   0  0  2  0  0  0
    6.4920   -0.7635    0.0000 C   0  0  1  0  0  0
    5.1904   -1.5090    0.0000 C   0  0  2  0  0  0
    3.8939   -0.7546    0.0000 O   0  0
    5.1883   -3.0099    0.0000 C   0  0
    6.4858   -3.7625    0.0000 O   0  0
    7.7884   -1.5180    0.0000 O   0  0
    7.7988    1.4820    0.0000 O   0  0
    5.2059    2.9909    0.0000 O   0  0
  1  2  2  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
  8 14  1  1
  4 15  1  6
 16 15  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 20 22  1  1
 22 23  1  0
 19 24  1  6
 18 25  1  1
 17 26  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12363

> <plate>
PLATE 018

> <well>
F3

> <supplier_cmpd_name>
Swertiamarin

> <ctcr_id>
11174

> <supplier_cmpd_id>
T2756

> <smiles>
C=C[C@H]1[C@H](OC=C2[C@]1(CCOC2=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T2756,Swertiamarin}

> <pdid>
PD056204

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{132399059}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    6.5531   -0.9855    0.0000 Na  0  3
    3.8805   -1.4410    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8972    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1607    0.0004    0.0000 C   0  0
   -6.4772    2.2803    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5524   -4.4208    0.0000 S   0  0
    4.0524   -4.4203    0.0000 O   0  5
    1.8032   -5.7203    0.0000 O   0  0
    3.3030   -5.7195    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 10  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  9  1  0
 20 21  1  0
 21  4  2  0
 21 22  1  0
 22 23  1  0
 23  3  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 24 27  2  0
M  CHG  2   1   1  25  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12364

> <plate>
PLATE 018

> <well>
F4

> <supplier_cmpd_name>
Tanshinone IIA sulfonate sodium

> <ctcr_id>
2904

> <supplier_cmpd_id>
T2946

> <smiles>
[Na+].Cc1c2C(=O)C(=O)c3c4CCCC(C)(C)c4ccc3c2oc1[S]([O-])(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{965980,69659-80-9,69659809,"TANSHINONE IIA SULFONATE SODIUM","Tanshinone II A sodium sulfonate",TanshinoneIIA,"TANSHINONE IIA-SULFONIC SODIUM","TANSHINONE IIASULFONIC SODIUM","Tanshinone IIA sulfonat
e (sodium)","sodium tanshinone IIA sulfonate",TIIAS,UNII-IVJ88KQ4XN,UNIIIVJ88KQ4XN,IVJ88KQ4XN,Danshen-201,Danshen201,S,T2946,1505036,"Tanshinone IIA sulfonate sodium"}

> <pdid>

> <targets>
{"CaMK modulator","CRAC Channel"}

> <classes>
{free radical scavenger,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{23669322}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 O   0  0
    2.6000    0.0000    0.0000 S   0  0
    2.6000   -1.5000    0.0000 O   0  5
    3.8993    0.7496    0.0000 O   0  0
    3.8989   -0.7502    0.0000 O   0  0
   15.4771   -2.2291    0.0000 C   0  0
   14.1962   -3.0096    0.0000 N   0  3
   14.1609   -4.5092    0.0000 C   0  0
   14.1962   -1.5096    0.0000 C   0  0
   12.8971   -0.7596    0.0000 C   0  0
   11.5981   -1.5096    0.0000 C   0  0
   11.5981   -3.0096    0.0000 C   0  0
   12.8971   -3.7596    0.0000 C   0  0
   10.2968   -0.7618    0.0000 C   0  0
    8.9981   -1.5141    0.0000 C   0  0
    7.6964   -0.7687    0.0000 C   0  0
    6.4000   -1.5232    0.0000 C   0  0
    6.4052   -3.0232    0.0000 C   0  0
    7.7068   -3.7687    0.0000 C   0  0
    9.0032   -3.0142    0.0000 C   0  0
   10.2942    0.7389    0.0000 C   0  0
    8.9948    1.4885    0.0000 C   0  0
    8.9943    2.9885    0.0000 C   0  0
   10.2930    3.7390    0.0000 C   0  0
   11.5923    2.9895    0.0000 C   0  0
   11.5929    1.4895    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  3  6  2  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  8  1  0
 12 15  2  3
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 15 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  CHG  2   4  -1   8   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12365

> <plate>
PLATE 018

> <well>
F5

> <supplier_cmpd_name>
Diphemanil mesylate

> <ctcr_id>
675

> <supplier_cmpd_id>
T0594

> <smiles>
CO[S]([O-])(=O)=O.C[N+]1(C)CCC(CC1)=C(c2ccccc2)c3ccccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"DIPHEMANIL METHYLSULFATE",62-97-5,62975,"Diphemanil metilsulfate",Prantal,"Diphenmanil methylsulfate","Diphemanil mesylate",Diphenmethanil,Demotil,Nivelon,Nivelona,Talpran,Variton,"Diphenmanil (meth
ylsulfate)","Diphemanil methosulfat",T0594,S4034,Prestw-79,"Diphemanil Methylsulfate","Diphemanil methylsulfate"}

> <pdid>

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{6126}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    6.3501   -2.2517    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    4.4165   -3.9867    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.3452   -0.0184    0.0000 O   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5497   -4.4224    0.0000 C   0  0
    1.7978   -5.7203    0.0000 C   0  0
    4.0497   -4.4250    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  7  1  0
 12 13  1  0
 13 14  2  0
 14  6  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12366

> <plate>
PLATE 018

> <well>
F6

> <supplier_cmpd_name>
Ibudilast

> <ctcr_id>
2237

> <supplier_cmpd_id>
T2137

> <smiles>
CC(C)C(=O)c1c2ccccn2nc1C(C)C

> <pd_targets>
{PDE4B,PDE4C,TSHR,BLM,RORC,CYP2D6,CYP1A2,CYP2C19,PDE4A,CYP3A4,PDE4D,NPSR1,KMT2A,MEN1,ALDH1A1,PDE3A,PDE5A,PDE10A}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Transcription factor","Epigenetic regulator",Phosphodiesterase,"Family A G protein-coupled receptor","Nuclear receptor","Cytochrome P450",Reader,Oxidoreductase,"Phosphodie
sterase 4","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3",Bromodomain,"Phosphodiesterase 3",
"Phosphodiesterase 5","Phosphodiesterase 10","Phosphodiesterase 4B","Phosphodiesterase 4C","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 2D","Cytochrom
e P450 family 1A","Cytochrome P450 family 2C","Phosphodiesterase 4A","Cytochrome P450 family 3A","Phosphodiesterase 4D","Short peptide receptor (family A GPCR)","Phosphodiesterase 3A","Phosphodiestera
se 5A","Phosphodiesterase 10A","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2D6","Cytochrome P450 1A1","Cytochrome P450 2C19","Cytochrome P450 3A4","Neuropeptide receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cyclic nucleotide turnover/signalling","G protein-coupled receptors","Nuclear hormone receptors","Cytochrome P450",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Glycoprotein
 hormone receptors","1F. Retinoic acid-related orphans","CYP2 family: drug metabolising subset","CYP1 family","CYP3 family","Neuropeptide S receptor"}

> <pathway_reactome>
{"Signal Transduction",Disease,"DNA Repair","Gene expression (Transcription)",Metabolism,Hemostasis,"Signaling by GPCR","Infectious disease","DNA Double-Strand Break Repair","RNA Polymerase II Transcr
iption","Biological oxidations","Metabolism of lipids","Platelet homeostasis","GPCR downstream signalling","Leishmania infection","Homology Directed Repair","Generic Transcription Pathway","Phase I - 
Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Nitric oxide stimulates guanylate cyclase","G alpha (i) signalling events","Leishmania parasite growth and 
survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derive
d SPMs","Ethanol oxidation","G alpha (s) signalling events","cGMP effects","Opioid Signalling","Anti-inflammatory response favouring Leishmania parasite infection","HDR through Homologous Recombinatio
n (HRR)","RUNX3 Regulates Immune Response and Cell Migration",Xenobiotics,"Biosynthesis of maresins","DARPP-32 events","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing
 and Strand Exchange","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Presynaptic phase of homologous DNA pairing and strand 
exchange"}

> <broad_targets>
{IL1B,IL6,PDE3A,PDE4A,PDE4B,PDE4C,PDE4D,PDE5A}

> <broad_moa>
{"leukotriene receptor antagonist","phosphodiesterase inhibitor"}

> <synonyms>
{RESTW128,ibudilast,50847-11-5,50847115,Ketas,KC-404,KC404,Ibudilastum,"Ke Tas","Ibudilastum (Latin)","Ibudilast (INN:JAN)",MN-166,MN166,Eyevinal,AV-411,AV411,UNII-M0TTH61XC5,UNIIM0TTH61XC5,"Ketas (TN
)","3-Isobutyryl-2-isopropylpyrazolo(1,5-a)pyridine","3Isobutyryl2isopropylpyrazolo(1,5a)pyridine",2-methyl-1-(2-propan-2-ylpyrazolo(1,2methyl1(2propan2ylpyrazolo(1,5-a)p,5a)p,T2137,Prestw-1286,Ibudil
ast}

> <pdid>
PD002711

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3671}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 16  0  0  0  0            999 V2000
    6.3933   -1.1297    0.0000 Cl  0  0
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 C   0  0
   -5.2029    2.9932    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12367

> <plate>
PLATE 018

> <well>
F7

> <supplier_cmpd_name>
Procarbazine hydrochloride

> <ctcr_id>
6590

> <supplier_cmpd_id>
T1488

> <smiles>
Cl.CNNCc1ccc(cc1)C(=O)NC(C)C

> <pd_targets>
{ALDH1A1,ALOX15,CYP1A2,CYP2C19,LMNA,MAOA,MAOB}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Oxidoreductase,"Cytochrome P450","Cytochrome P450 family 1","Cytochrome P450 family 2","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Cytochrome P450 1A1","Cy
tochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Cytochrome P450",Lipoxygenases,"CYP1 family","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Biological oxidations","Metabolism of lipids",Mitotic,"Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Ethano
l oxidation","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Mitotic Anaphase","Biosynthes
is of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope 
(NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{RESTW111,"Procarbazine hydrochloride",366-70-1,366701,"PROCARBAZINE HCl",Matulane,Nathulane,Natunalar,"MIH hydrochloride","PCB hydrochloride","Procarbazine (Hydrochloride)","Ibenzmethyzine hydrochlor
ide",Natulan,NSC-77213,NSC77213,UNII-XH0NPH5ZX8,UNIIXH0NPH5ZX8,NCI-C01810,NCIC01810,N-isoprop,Nisoprop,T1488,77213,S1995,SAM001246564,Prestw-1112,"NSC 77213","Procarbazine HCl",CPD000469151}

> <pdid>
PD001685

> <targets>
{}

> <classes>
{"Alkylating agent"}

> <pubchem_cids>
{9703,441273,74764326}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 18  0  0  0  0            999 V2000
   12.9003   -0.7502    0.0000 Cl  0  0
    7.8029   -2.9887    0.0000 N   0  0
    7.8003   -1.4887    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
   10.3996   -1.4837    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4964    0.7591    0.0000 O   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12368

> <plate>
PLATE 018

> <well>
F8

> <supplier_cmpd_name>
Benserazide hydrochloride

> <ctcr_id>
5953

> <supplier_cmpd_id>
T1517

> <smiles>
Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O

> <pd_targets>
{ESR2,UBE2I,ALPI,ALPG,CBS,SAE1,HK2,REP,MEX-5,TDP1,ALD,POLB,UBA2,FFP,AMPC,KDM4E,MAPT,PMP22,NPSR1,ALDH1A1,KMT2A,MEN1,LMNA,TGR,NS1,GAA,POS-1,MTOR,DDC}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein","Epigenetic regulator","Other cytosolic protein","Membrane receptor","Other nuclear protein","Nuclear receptor",Aminoacyltransferase,Phosphatase,T
ransferase,Hydrolase,Eraser,"Family A G protein-coupled receptor",Oxidoreductase,Reader,Kinase,Lyase,"Nuclear hormone receptor subfamily 3","Lysine demethylase","Peptide receptor (family A GPCR)",Brom
odomain,"Protein Kinase","Nuclear hormone receptor subfamily 3 group A","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Nuclear hormone receptor s
ubfamily 3 group A member 2","Neuropeptide receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Hydrogen sulphide synthesis","Anti-infective targets","Chromatin modifying enzymes","G protein-coupled receptors","3.2.1.- Glyco
sidases","Kinases (EC 2.7.x.x)","Carboxylases and decarboxylases","Steroid hormone receptors","Viral protein targets","1.14.11.- Histone demethylases","Neuropeptide S receptor",Atypical,Decarboxylases
,"3A. Estrogen receptors","Coronavirus (CoV) proteins","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Metabolism of proteins",Metabolism,Disease,"DNA Repair","Neuronal System","Developmental Biology","Gene expression (Transcription)","Intracellular signaling by sec
ond messengers",Mitotic,"Post-translational protein modification","Metabolism of amino acids and derivatives","Metabolism of lipids","Metabolism of carbohydrates","Infectious disease","DNA Double-Stra
nd Break Repair","Base Excision Repair","Transmission across Chemical Synapses","Nervous system development","Biological oxidations","Diseases of metabolism","RNA Polymerase II Transcription","PIP3 ac
tivates AKT signaling","M Phase","Post-translational modification: synthesis of GPI-anchored proteins","Selenoamino acid metabolism",SUMOylation,"Phospholipid metabolism","Glucose metabolism","SARS-Co
V Infections","Nonhomologous End-Joining (NHEJ)","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwan
n cell myelination","Leishmania infection","Phase I - Functionalization of compounds","Diseases of carbohydrate metabolism","Generic Transcription Pathway","Metabolism of amine-derived hormones","Nega
tive regulation of the PI3K/AKT network","Mitotic Metaphase and Anaphase","Metabolism of ingested SeMet",Sec,"MeSec into H2Se","Processing and activation of SUMO","Glycerophospholipid biosynthesis",Gl
ycolysis,"SARS-CoV-2 Infection","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Activation of NMDA receptors and postsynaptic events","Leishmania parasite growth and su
rvival","Ethanol oxidation","Glycogen storage diseases","Transcriptional Regulation by TP53","Catecholamine biosynthesis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Mitotic Anaphase","SUMO is c
onjugated to E1 (UBA2:SAE1)","Synthesis of PA","SARS-CoV-2 Genome Replication and Transcription","PCNA-Dependent Long Patch Base Excision Repair","Post NMDA receptor activation events","Anti-inflammat
ory response favouring Leishmania parasite infection","Glycogen storage disease type II (GAA)","Regulation of TP53 Activity","Nuclear Envelope (NE) Reassembly","Replication of the SARS-CoV-2 genome","
Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Postmitotic nuclear pore complex (NPC) reformation",
"Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{DDC}

> <broad_moa>
{"DOPA decarboxylase inhibitor"}

> <synonyms>
{SCHEMBL16516192,AKOS026750132,"BENSERAZIDE HYDROCHLORIDE",14919-77-8,14919778,"Benserazide HCl","2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propanehydrazide hydrochloride","2amino3hydroxyN'(2,3,4tr
ihydroxybenzyl)propanehydrazide hydrochloride","Benzerazide hydrochloride","Benserazide (hydrochloride)",2'-,2',T1517,S2453,1500137,Prestw-938,"Benserazide hydrochloride"}

> <pdid>
PD013354

> <targets>
{"Dopamine Receptor"}

> <classes>
{"decarboxylase inhibitor",Others}

> <pubchem_cids>
{657280,26964}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
   -5.0019    0.8454    0.0000 C   0  0
   -3.5348    0.5331    0.0000 N   0  0
   -2.5311    1.6478    0.0000 C   0  0
   -3.0705   -0.8941    0.0000 C   0  0
   -1.6026   -1.2066    0.0000 C   0  0
   -1.1384   -2.6339    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 O   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    0.0000    4.5008    0.0000 N   0  0
    0.7935   -4.3741    0.0000 C   0  0
   -0.1925   -5.5045    0.0000 C   0  0
    0.2934   -6.9236    0.0000 C   0  0
    1.7654   -7.2123    0.0000 C   0  0
    2.2513   -8.6314    0.0000 F   0  0
    2.7514   -6.0819    0.0000 C   0  0
    2.2654   -4.6628    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  7  1  0
 15 10  1  0
 12 16  1  0
 16 17  3  0
  7 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12369

> <plate>
PLATE 018

> <well>
F9

> <supplier_cmpd_name>
Citalopram HBr

> <ctcr_id>
6039

> <supplier_cmpd_id>
T1483

> <smiles>
CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

> <pd_targets>
{SLC6A2,SLC6A4,NET,ADRA1A,ADRA1B,KCNH2,SLC6A3,NPC1,HTR1A,ALDH1A1,MAPK1,BLM,PMP22,NPSR1,SLC22A1,HRH1,HTR2C,HTR2B,SIGMAR1,ADRA1D,CACNA1C,LMNA,RORC,ALOX15,CHRM1,CYP3A4,CYP2C9,CYP2D6,CYP2C19,NFKB1,HTR2A,A
DRA2A,ADRA2B,ADRA2C,DRD2}

> <pathway_gtopdb>
{Transporter,"Membrane receptor","Ion channel",Enzyme,"Unclassified protein","Electrochemical transporter","Family A G protein-coupled receptor","Voltage-gated ion channel",Oxidoreductase,Kinase,"SLC 
superfamily of solute carriers","Small molecule receptor (family A GPCR)","Potassium channels","Protein Kinase","Peptide receptor (family A GPCR)","Voltage-gated calcium channel","SLC06 neurotransmitt
er transporter family","Monoamine receptor","Voltage-gated potassium channel","CMGC protein kinase group","Short peptide receptor (family A GPCR)","SLC22 family of organic cation and anion transporter
s","Adrenergic receptor","Serotonin receptor","CMGC protein kinase MAPK family","Neuropeptide receptor","Histamine receptor","CMGC protein kinase ERK1","Other nuclear protein","Transcription factor","
Other cytosolic protein","Nuclear receptor","Cytochrome P450","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1 group F
","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F member 3","Acetylcholine receptor","Cytochrome P450 3A4","Cytochrome
 P450 2C9","Cytochrome P450 2D6","Cytochrome P450 2C19","Dopamine receptor"}

> <pathway_chembl>
{Transporters,Receptors,"Ion channels",Enzymes,"Other protein targets","SLC superfamily of solute carriers","G protein-coupled receptors","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Sigma rec
eptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"Potassium channels","SLC65 NPC-type cholesterol transporters","5-Hydroxytryptamine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK fa
milies","Neuropeptide S receptor","SLC22 family of organic cation and anion transporters","Histamine receptors","Voltage-gated calcium channels","Monoamine transporter subfamily","Voltage-gated potass
ium channels","Mitogen-activated protein kinases (MAP kinases)","Organic cation transporters (OCT)","ERK subfamily","Nuclear hormone receptors","Eicosanoid turnover","Cytochrome P450","1F. Retinoic ac
id-related orphans",Lipoxygenases,"Acetylcholine receptors (muscarinic)","CYP3 family","CYP2 family: drug metabolising subset","Dopamine receptors"}

> <pathway_reactome>
{"Neuronal System","Signal Transduction","Muscle contraction",Disease,"Transport of small molecules",Metabolism,"Immune System","DNA Repair","Developmental Biology","Transmission across Chemical Synap
ses","Signaling by GPCR","Cardiac conduction","Disorders of transmembrane transporters","Plasma lipoprotein assembly",remodeling,"and clearance","Biological oxidations","Innate Immune System","DNA Dou
ble-Strand Break Repair","Nervous system development","Infectious disease","SLC-mediated transmembrane transport","Neurotransmitter clearance","GPCR ligand binding","Phase 3 - rapid repolarisation","S
LC transporter disorders","Plasma lipoprotein clearance","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Homology Directed Repair","EGR2 and SOX10-mediated initiation of Schw
ann cell myelination","Leishmania infection","Transport of bile salts and organic acids","metal ions and amine compounds","SARS-CoV Infections","Axon guidance","Serotonin clearance from the synaptic c
left","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","LDL clearance","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","HDR through Ho
mologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Organic cation/anion/zwitterion transport","Potential therapeutics for SARS","Defective SLC6A2
 causes orthostatic intolerance (OI)","NCAM signaling for neurite out-growth","Amine ligand-binding receptors","MyD88 cascade initiated on plasma membrane","HDR through Homologous Recombination (HRR)"
,"Anti-inflammatory response favouring Leishmania parasite infection","Organic cation transport","NCAM1 interactions",Adrenoceptors,"Serotonin receptors","MAP kinase activation","Homologous DNA Pairin
g and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Histamine receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairi
ng and strand exchange","ERK/MAPK targets","ERKs are inactivated","Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","Metabolism of lipids","Cytokine Signaling in
 Immune system","M Phase","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by Interleukins","Mitotic Metaphase and Anaphase","Transcriptional regu
lation by RUNX3","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Interleukin-1 family signaling","Mitotic Anaphase","RUNX3 Regulat
es Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresins",Xenobiotics,"Interleukin-1 signaling","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived
 protectins and resolvins","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Dopamine receptors","Initiation of 
Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SLC6A4}

> <broad_moa>
{"selective serotonin reuptake inhibitor (SSRI)"}

> <synonyms>
{citalopram,59729-33-8,59729338,Nitalapram,Celexa,Cipram,Bonitrile,(3H)Citalopram,"Lu 10-171","Lu 10171",Lu-10-171,Lu10171,CHEMBL549,CHEBI:77397,1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthal
ancarbonitrile,1(3(Dimethylamino)propyl)1(pfluorophenyl)5phthalancarbonitrile,"Nitalapram HBr",(3H)-Citalopram,"Citalopramum (INN-Latin)","Citalopramum (INNLatin)",T1483,SAM002589960,1504172,"Citalopr
am HBr",CPD000465669,CITALOPRAM}

> <pdid>
PD000475

> <targets>
{}

> <classes>
{antidepressant,"5HT reuptake inhibitor"}

> <pubchem_cids>
{2771}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 42  0  0  1  0            999 V2000
    6.3990   -6.3774    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -5.1961   -7.5000    0.0000 C   0  0  2  0  0  0
   -6.4764   -6.7185    0.0000 O   0  0
   -3.8971   -8.2500    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0  2  0  0  0
   -1.2998   -8.2531    0.0000 O   0  0
   -1.3019   -9.7539    0.0000 C   0  0
   -0.0055  -10.5085    0.0000 C   0  0
   -0.0107  -12.0085    0.0000 C   0  0
    1.2858  -12.7630    0.0000 N   0  0
   -1.3123  -12.7540    0.0000 C   0  0
   -1.3175  -14.2540    0.0000 O   0  0
   -2.6087  -11.9995    0.0000 C   0  0
   -3.9104  -12.7450    0.0000 C   0  0
   -2.6036  -10.4995    0.0000 O   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1596   -8.9800    0.0000 C   0  0
   -6.4587   -9.7299    0.0000 C   0  0
   -3.8609   -9.7306    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 21  1  0
 19 30  1  0
 30 14  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 11  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36  4  1  0
 36  8  2  0
 16 37  1  0
 37 38  1  0
 37 39  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12370

> <plate>
PLATE 018

> <well>
F10

> <supplier_cmpd_name>
Daunorubicin hydrochloride

> <ctcr_id>
1690

> <supplier_cmpd_id>
T1511

> <smiles>
Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(C)=O

> <pd_targets>
{HIF1A,MAPT,RORC,BLM,FTL,ALD,KMT2A,MEN1,HSP90AA1,HSP90AB1,RECQL,USP2,TSHR,MAPK1,NPSR1,FFP,S100A4,BRCA1,POLB,THRB,CYP3A4,LEF,MMP2,NR5A1,ALDH1A1,TP53,CYP1A2,KDM4E,HTT,HSD17B10,APEX1,ABCC1,FPR2,PAX8,ABCB
1,ABCC2,TOP2A,TOP2B}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor","Other cytosolic protein",Enzyme,"Epigenetic regulator","Membrane receptor",Transporter,"Nuclear receptor",Reader,Protease,"Family A G protein-coupled re
ceptor",Kinase,Transferase,"Cytochrome P450",Oxidoreductase,Eraser,"Primary active transporter",Isomerase,"Nuclear hormone receptor subfamily 1",Bromodomain,"Cysteine protease","Peptide receptor (fami
ly A GPCR)","Protein Kinase","Cytochrome P450 family 3","Metallo protease","Nuclear hormone receptor subfamily 5","Cytochrome P450 family 1","Lysine demethylase","ATP-binding cassette","Nuclear hormon
e receptor subfamily 1 group F","Cysteine protease CA clan","Glycohormone receptor","CMGC protein kinase group","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group A",
"Cytochrome P450 family 3A","Metallo protease MAE clan","Metallo protease MAM clan","Nuclear hormone receptor subfamily 5 group A","Cytochrome P450 family 1A","Jumonji domain-containing","ABCC subfami
ly","N-formyl methionyl peptide receptor","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C19 family","CMGC protein kinase MAPK family","Neuropeptide recept
or","Nuclear hormone receptor subfamily 1 group A member 2","Cytochrome P450 3A4","Metallo protease M34 family","Metallo protease M10A subfamily","Nuclear hormone receptor subfamily 5 group A member 1
","Cytochrome P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Nuclear hormone receptors","Chromatin modifying enzymes","Peptidases and proteinases","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Cyt
ochrome P450","Heat shock proteins","ATP-binding cassette transporter family","DNA topoisomerases","1F. Retinoic acid-related orphans","2.1.1.43 Histone methyltransferases (HMTs)","CA: Cysteine (C) Pe
ptidases","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","1A. Thyroid hormone receptors","CYP3 family","MA: Metallo (M) Peptidases","5A. Fus
hi tarazu F1-like receptors","CYP1 family","1.14.11.- Histone demethylases","ABCC subfamily","Formylpeptide receptors","ABCB subfamily","C19: Ubiquitin-specific protease","Mitogen-activated protein ki
nases (MAP kinases)","M10: Matrix metallopeptidase","ERK subfamily"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Neuronal System","Gene expression (Transcription)","DNA Repair","Vesicle-mediated transport",Disease,"Immune System","Metabolism of proteins",Metabolism,"Dev
elopmental Biology","Cell Cycle","Signal Transduction","Cellular responses to stress","Transmission across Chemical Synapses","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Membra
ne Trafficking","Infectious disease","Innate Immune System","Base Excision Repair","Post-translational protein modification","Metabolism of lipids","Nervous system development",Mitotic,"Biological oxi
dations","Cell Cycle Checkpoints","Metabolism of amino acids and derivatives","Signaling by GPCR","Abacavir transport and metabolism","Disorders of transmembrane transporters","Cellular response to hy
poxia","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Homology Directed Repair","trans-Golgi Network Vesicle Budding","Leishmania infection","Toll-l
ike Receptor Cascades","Resolution of Abasic Sites (AP sites)",SUMOylation,"Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and actions of bacterial toxins","Axon guidance","Mitotic
 G2-G2/M phases","Phase I - Functionalization of compounds","G1/S DNA Damage Checkpoints","Branched-chain amino acid catabolism","Fatty acid metabolism","GPCR ligand binding","Abacavir transmembrane t
ransport","ABC transporter disorders","Mitotic G1 phase and G1/S transition","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Activation of NMDA receptors and postsynaptic e
vents","Transcriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX1","
Transcriptional Regulation by TP53","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","SUMO
 E3 ligases SUMOylate target proteins","Biosynthesis of DHA-derived SPMs","Uptake and function of anthrax toxins","EPH-Ephrin signaling","G2/M Transition","Ethanol oxidation","p53-Dependent G1/S DNA d
amage checkpoint","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by MECP2","Arachidonic acid metabolism","Class A/1 (Rhodopsin-like receptors)","Defective ABCC2 causes DJS"
,"G0 and Early G1","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","HDR through Homologous Recombination (HRR)","RUNX1 regulates genes involved in megakaryo
cyte differentiation and platelet function","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","PCNA-Depend
ent Long Patch Base Excision Repair","SUMOylation of intracellular receptors","Biosynthesis of maresins","EPH-ephrin mediated repulsion of cells","Centrosome maturation","p53-Dependent G1 DNA Damage R
esponse",Xenobiotics,"Regulation of MECP2 expression and activity","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Peptide ligand-binding receptors","Transcription of E2F targets under negative cont
rol by DREAM complex","SUMOylation of DNA replication proteins","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","
ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Biosynthesis of maresin-like SPMs","Loss of proteins required for interphase microtubule organization from the centros
ome","Stabilization of p53","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Formyl peptide receptors bind formyl peptides and many other ligands","Presynaptic phase of homologous D
NA pairing and strand exchange","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","Autodegradation of the E3 ubiquitin liga
se COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{TOP2A,TOP2B}

> <broad_moa>
{"RNA synthesis inhibitor","topoisomerase inhibitor"}

> <synonyms>
{"DAUNORUBICIN HYDROCHLORIDE",Daunoblastin,Ondena,"Antibiotics from Streptomyces coeruleorubidus","DAUNORUBICIN HCL","Rubidomycin hydrochloride","Daunomycin, hydrochloride","Daunomycin, HCl",NSC83142,
Daunorubicin,Hydrochlorid,82151,NSC82151,"NSC 82151
NSC 82151","Daunorubicin hydrochloride"}

> <pdid>
PD003035

> <targets>
{}

> <classes>
{"Topoisomerase II Inhibitors"}

> <pubchem_cids>
{3085106,58899167,5351602,68601330}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 42  0  0  1  0            999 V2000
    6.0235   -5.4004    0.0000 C   0  0  1  0  0  0
    6.5240   -3.9863    0.0000 C   0  0  1  0  0  0
    7.9988   -3.7126    0.0000 C   0  0  2  0  0  0
    8.9732   -4.8530    0.0000 C   0  0  1  0  0  0
    8.4729   -6.2671    0.0000 C   0  0  2  0  0  0
    6.9981   -6.5408    0.0000 O   0  0
    9.4502   -7.4061    0.0000 C   0  0
   10.9246   -7.1303    0.0000 O   0  0
   10.4481   -4.5793    0.0000 O   0  0
    8.4992   -2.2985    0.0000 O   0  0
    5.5496   -2.8459    0.0000 O   0  0
    4.5473   -5.6713    0.0000 O   0  0
    3.5740   -4.5289    0.0000 C   0  0
    2.0982   -4.7975    0.0000 C   0  0
    1.1277   -3.6538    0.0000 C   0  0
    1.6321   -2.2464    0.0000 C   0  0
    3.1087   -1.9728    0.0000 C   0  0
    4.0792   -3.1166    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0  1  0  0  0
   -0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
   -1.9615   -1.9133    0.0000 C   0  0
   -3.1750   -1.0316    0.0000 O   0  0
   -2.7115    0.3949    0.0000 C   0  0  1  0  0  0
   -3.5934    1.6093    0.0000 C   0  0
   -3.0889    3.0166    0.0000 C   0  0
   -4.0593    4.1604    0.0000 C   0  0
   -5.5351    3.8919    0.0000 C   0  0
   -6.0404    2.4796    0.0000 C   0  0
   -5.0700    1.3358    0.0000 C   0  0
   -6.5084    5.0343    0.0000 O   0  0
   -7.9838    4.7637    0.0000 C   0  0
   -3.5508    5.5724    0.0000 O   0  0
   -2.0746    5.8389    0.0000 C   0  0
    1.5897   -6.2096    0.0000 O   0  0
    0.1136   -6.4761    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  1
  7  8  1  0
  4  9  1  6
  3 10  1  1
  2 11  1  6
  1 12  1  1
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 19 16  1  6
 19 20  1  0
 20 21  1  0
 22 21  1  1
 22 23  1  0
 23 19  1  0
 23 24  1  1
 24 25  1  0
 25 26  1  0
 26 22  1  0
 26 27  1  1
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 30 33  1  0
 33 34  1  0
 29 35  1  0
 35 36  1  0
 14 37  1  0
 37 38  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12371

> <plate>
PLATE 018

> <well>
F11

> <supplier_cmpd_name>
Forsythin

> <ctcr_id>
11175

> <supplier_cmpd_id>
T2854

> <smiles>
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)Oc1c(cc(cc1)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1cc(c(cc1)OC)OC)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{UNII-VE9P4964MG,UNIIVE9P4964MG,VE9P4964MG,SCHEMBL710957,"Phillyrin, >=98 (HPLC)",CHEBI:80888,DTXSID40197589,HY-N0482,HYN0482,s3926,ZINC56874329,AKOS037514776,CCG-269935,CCG269935,CS-0009002,CS0009002
,C17048,Q27151384,T2854,Forsythin}

> <pdid>
PD011948

> <targets>
{Others,AMPK}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{101712}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  1  0            999 V2000
    8.9958    2.6232    0.0000 Cl  0  0
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 C   0  0  2  0  0  0
    5.1961    3.0001    0.0000 O   0  0
    3.8971    5.2500    0.0000 C   0  0
    5.1961    6.0001    0.0000 C   0  0
    6.4952    5.2501    0.0000 Cl  0  0
    5.1961    7.5001    0.0000 C   0  0
    3.8970    8.2500    0.0000 C   0  0
    2.5980    7.5000    0.0000 C   0  0
    1.2990    8.2500    0.0000 O   0  0
    2.5980    6.0000    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 O   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
   -3.8976   -0.7554    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  5  3  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21  8  1  0
 21 22  2  3
 22 23  1  0
 22 24  1  0
 24  6  1  0
 24 25  1  6
 24 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  3
 29  5  1  0
 29 30  1  0
 28 31  1  0
 31 32  2  0
 31 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12372

> <plate>
PLATE 018

> <well>
G2

> <supplier_cmpd_name>
Demeclocycline hydrochloride

> <ctcr_id>
5384

> <supplier_cmpd_id>
T1400

> <smiles>
Cl.CN(C)[C@H]1C2CC3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"DEMECLOCYCLINE HYDROCHLORIDE",64-73-3,64733,"Demeclocycline HCL",Clortetrin,"7-Chloro-6-demethyltetracycline hydrochloride","7Chloro6demethyltetracycline hydrochloride","Demethylchlortetracycline hy
drochloride",Ledermycin,"Demeclocycline (hydrochloride)",6-Demethyl-7-chlor,6Demethyl7chlor,T1400,1500226,Prestw-753,"Demeclocycline hydrochloride"}

> <pdid>
PD009886

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{54686764}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 12  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 N   0  0
    1.3039   -3.7494    0.0000 N   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6071   -5.9984    0.0000 N   0  0
    0.0093   -6.0025    0.0000 N   0  0
    5.1078   -2.2514    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12373

> <plate>
PLATE 018

> <well>
G3

> <supplier_cmpd_name>
Moroxydine hydrochloride

> <ctcr_id>
11176

> <supplier_cmpd_id>
T0090

> <smiles>
C1COCCN1C(=N)N=C(N)N.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Moroxydine hydrochloride",3160-91-6,3160916,"Moroxydine HCl","ABOB hydrochloride",Flumidin,Virustat,Influcol,Spenitol,Virusmin,"Moroxidine hydrochloride","Moroxydine (hydrochloride)","N-Carbamimidoy
lmorpholine-4-carboximidamide hydroch","NCarbamimidoylmorpholine4carboximidamide hydroch",T0090}

> <pdid>

> <targets>
{"DNA viruses","RNA viruses"}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{76621}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 35  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 N   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
    7.7911    6.0075    0.0000 C   0  0
    9.1416    5.3847    0.0000 N   0  0
   10.1469    6.4980    0.0000 O   0  0
    9.3989    7.7972    0.0000 C   0  0
    7.9312    7.4874    0.0000 C   0  0
    6.9291    8.6036    0.0000 C   0  0
    7.3946   10.0295    0.0000 C   0  0
    8.8623   10.3393    0.0000 C   0  0
    9.3278   11.7652    0.0000 F   0  0
    9.8644    9.2232    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 12  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 15  1  0
  3 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 24  1  0
 30 31  2  0
 31  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12374

> <plate>
PLATE 018

> <well>
G4

> <supplier_cmpd_name>
Paliperidone

> <ctcr_id>
11177

> <supplier_cmpd_id>
T0076

> <smiles>
Cc1c(CCN2CCC(CC2)c2noc3c2ccc(F)c3)c(=O)n2CCCC(O)c2n1

> <pd_targets>
{DRD2,HTR2A,KCNH2,SCN5A,KCND3,HRH1,ADRA1A,ADRA1B,DRD4,HTR1D,DRD3,HTR2C,ADRA2A,ADRA2B,ADRA2C,HTR1A}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Family A G protein-coupled receptor","Voltage-gated ion channel","Small molecule receptor (family A GPCR)","Potassium channels","Voltage-gated sodium channel","Mono
amine receptor","Voltage-gated potassium channel","Dopamine receptor","Serotonin receptor","Histamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Dopamine receptors","5-Hydroxytryptamine receptors","Potassium channels","Voltage-gated sodium channels","Histamin
e receptors",Adrenoceptors,"Voltage-gated potassium channels"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Developmental Biology",Disease,"Signaling by GPCR","Cardiac conduction","Nervous system development","Infectious disease","GPCR ligand binding","Phase 3 - 
rapid repolarisation","Axon guidance","Phase 1 - inactivation of fast Na+ channels","Leishmania infection","Class A/1 (Rhodopsin-like receptors)","L1CAM interactions","Leishmania parasite growth and s
urvival","Amine ligand-binding receptors","Interaction between L1 and Ankyrins","Anti-inflammatory response favouring Leishmania parasite infection","Dopamine receptors","Serotonin receptors","Histami
ne receptors",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{DRD2,HTR2A}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{Paliperidone,144598-75-4,144598754,9-Hydroxyrisperidone,9Hydroxyrisperidone,Invega,C23H27FN4O3,RO76477,PALLIPERIDONE,R-76477,R76477,CHEMBL1621,RO-76477,CHEBI:83804,"144598-75-4 (free base)","14459875
4 (free base)",MFCD00871802,"9-hydroxy risperidone","9hydroxy risperidone","R 76477","HSDB 8148",UNII-838F01T721,UNII838F01T721,Paliperidone/I,T0076}

> <pdid>
PD009928

> <targets>
{5-HT,¦Â-adrenergic receptor,Dopamine,H1 receptor,5-HT Receptor,Adrenergic Receptor,Dopamine Receptor}

> <classes>
{GPCR/G Protein,Immunology/Inflammation,Neuroscience,Neuronal Signaling}

> <pubchem_cids>
{115237}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    7.7858   -7.5171    0.0000 O   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.7815  -10.5187    0.0000 S   0  0
    9.0819   -9.7710    0.0000 O   0  0
    7.7794  -12.0195    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    9.2155  -14.2535    0.0000 O   0  0
   10.6827  -14.5653    0.0000 C   0  0
   11.4327  -13.2663    0.0000 C   0  0
   10.4290  -12.1516    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0076    0.0000 C   0  0
    5.1958   -1.5068    0.0000 O   0  0
    6.4962   -0.7574    0.0000 C   0  0
    6.5004    0.7426    0.0000 C   0  0
    7.8016    1.4889    0.0000 C   0  0
    7.8090    2.9897    0.0000 C   0  0
    9.1119    3.7346    0.0000 N   0  0
    9.1215    5.2346    0.0000 C   0  0
   10.4252    5.9764    0.0000 C   0  0
   11.7195    5.2182    0.0000 C   0  0
   11.7100    3.7182    0.0000 C   0  0
   10.4063    2.9764    0.0000 C   0  0
    9.0985    0.7352    0.0000 C   0  0
    9.0942   -0.7648    0.0000 C   0  0
    7.7931   -1.5111    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  2  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 20 28  2  0
 28 29  1  0
 29 30  2  0
 30 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12375

> <plate>
PLATE 018

> <well>
G5

> <supplier_cmpd_name>
Lafutidine

> <ctcr_id>
7164

> <supplier_cmpd_id>
T0081

> <smiles>
O=C(C[S](=O)Cc1occc1)NC\C=C/COc2cc(CN3CCCCC3)ccn2

> <pd_targets>
{HRH2}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Histamine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Histamine receptors"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{HRH2}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{lafutidine,118288-08-7,118288087,"118288 08 7",FRG-8813,FRG8813,"FRG 8813","Lafutidine (INN)","Lafutidine free base",206449-93-6,206449936,"206449 93 6","118288-08-7 (free base)","118288087 (free bas
e)","118288 08 7 (free base)",DSSTox_CID_26434,DSSToxCID26434,DSSTox-CID-26434,"DSSTox CID 26434",DSS,S2065,S2076,Lafutidine,Lisinopril}

> <pdid>
PD010868

> <targets>
{"Histamine Receptor",RAAS}

> <classes>
{"Endocrinology & Hormones","Neuronal Signaling"}

> <pubchem_cids>
{5282136}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0  1  0  0  0
   -2.1132    4.3307    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
    1.0956    4.0166    0.0000 C   0  0
    0.4768    5.3830    0.0000 C   0  0
   -1.0140    5.2166    0.0000 C   0  0  1  0  0  0
   -2.4603    4.8674    0.0000 O   0  0
   -3.5120    5.9380    0.0000 C   0  0
   -3.1105    7.3833    0.0000 C   0  0
   -4.9646    5.5636    0.0000 O   0  0
   -0.5492    6.6304    0.0000 C   0  0
    0.9144    6.9591    0.0000 C   0  0
   -1.5653    7.7338    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10  4  1  0
 10 11  1  1
 11 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  1  6
 14 15  1  0
 15 16  1  0
 15 17  2  0
 13 18  1  0
 18 19  1  0
 18 20  2  0
  5 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  3
 28  2  1  0
 28 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12376

> <plate>
PLATE 018

> <well>
G6

> <supplier_cmpd_name>
Farlutin

> <ctcr_id>
7024

> <supplier_cmpd_id>
T1261

> <smiles>
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(OC(C)=O)C(C)=O)[C@@]4(C)CCC(=O)C=C14

> <pd_targets>
{NR3C2,PGR,SHBG,AKR1C2,AR,NR3C1,ALDH1A1,ESR1,ESR2,AKR1C3,AKR1C1,LMNA,NPSR1,CYP3A4,ABCC4,ABCB11,HRH2,ABCB1,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG
3,GABRP,GABRQ}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Secreted protein","Other nuclear protein","Membrane receptor",Transporter,"Ion channel","Nuclear receptor",Protease,Oxidoreductase,"Family A G protein-coupled receptor"
,"Cytochrome P450","Primary active transporter","Ligand-gated ion channel","Nuclear hormone receptor subfamily 3","Cysteine protease","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","ATP
-binding cassette","Small molecule receptor (family A GPCR)","GABA-A receptor","Nuclear hormone receptor subfamily 3 group C","Cysteine protease CA clan","Nuclear hormone receptor subfamily 3 group A"
,"Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","ABCC subfamily","ABCB subfamily","Monoamine receptor","Nuclear hormone receptor subfamily 3 group C member 2","Cysteine protease 
C1A family","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormone rec
eptor subfamily 3 group A member 1","Neuropeptide receptor","Cytochrome P450 3A4","Histamine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Eicosanoid turnover","G protein-coupled receptors","Cytochrome P450","ATP-binding cassette transporter family","Steroid hormone receptors",
"Prostaglandin synthases","Neuropeptide S receptor","CYP3 family","ABCC subfamily","ABCB subfamily","Histamine receptors","3C. 3-Ketosteroid receptors","3A. Estrogen receptors"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Gene expression (Transcription)","Cell Cycle",Disease,Hemostasis,"Post-translational protein modification","Metabolism of lipids","RNA Polymerase II Transcription
","Biological oxidations",Mitotic,"Infectious disease","Platelet activation","signaling and aggregation","Abacavir transport and metabolism",SUMOylation,"Metabolism of steroids","Generic Transcription
 Pathway","Phase I - Functionalization of compounds","M Phase","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Response to elevated platelet cytosolic Ca2+","Abacav
ir transmembrane transport","SUMO E3 ligases SUMOylate target proteins","Bile acid and bile salt metabolism","Transcriptional regulation by RUNX2","FOXO-mediated transcription","Ethanol oxidation","Mi
totic Metaphase and Anaphase","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Platelet degranulation","Transcriptional regulation by RUNX1","SUMOylation of intracellular 
receptors","Synthesis of bile acids and bile salts","RUNX2 regulates bone development","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Mitotic Anaphase","Anti-inflamm
atory response favouring Leishmania parasite infection","Biosynthesis of maresins","RUNX1 regulates estrogen receptor mediated transcription","Synthesis of bile acids and bile salts via 24-hydroxychol
esterol","RUNX2 regulates osteoblast differentiation","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Synthesis of bil
e acids and bile salts via 7alpha-hydroxycholesterol","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ESR1,PGR}

> <broad_moa>
{"progesterone receptor agonist"}

> <synonyms>
{"Medroxyprogesterone acetate",71-58-9,71589,"Medroxyprogesterone 17-acetate","Medroxyprogesterone 17acetate",Metigestrona,Provera,Farlutin,Gestapuran,Perlutex,Veramix,Methylacetoxyprogesterone,"Medro
xyacetate progesterone",Depo-Provera,DepoProvera,Depcorlutin,Deporone,Lutopolar,Nadigest,Prodasone,P,S2567,SAM002564220,CPD000653524}

> <pdid>
PD001874

> <targets>
{"Estrogen/progestogen Receptor"}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{6279}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  2  0
  4  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12377

> <plate>
PLATE 018

> <well>
G7

> <supplier_cmpd_name>
Amrinone

> <ctcr_id>
3457

> <supplier_cmpd_id>
T1265

> <smiles>
NC1=CC(=CNC1=O)c2ccncc2

> <pd_targets>
{KMT2A,MEN1,THRB,KDM4E,RORC,FFP,PLIN5,CYP2D6,CYP2C9,PDE3A,HTT,MAPT,CYP3A4,AMPC,PDE3B,TTK,PDE4A,PDE4B,PDE4C,PDE4D,RECQL,ALDH1A1,ALOX12,CASP1,AURKB,INCENP,HSD17B10,HIF1A,TGR,ALD,CYP2C19,HPGD,GLA,BLM,CYP
1A2,ALOX15,LMNA,TNF}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,"Unclassified protein","Other cytosolic protein","Other nuclear protein","Secreted protein",Reader,"Nuclear receptor",Eraser,Transferase,"Cytochro
me P450",Phosphodiesterase,Hydrolase,Kinase,Oxidoreductase,Protease,Bromodomain,"Nuclear hormone receptor subfamily 1","Lysine demethylase","Cytochrome P450 family 2","Phosphodiesterase 3","Cytochrome
 P450 family 3","Protein Kinase","Phosphodiesterase 4","Cysteine protease","Cytochrome P450 family 1","Nuclear hormone receptor subfamily 1 group A","Jumonji domain-containing","Nuclear hormone recept
or subfamily 1 group F","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Phosphodiesterase 3A","Cytochrome P450 family 3A","Other protein kinase group","Phosphodiesterase 4A","Cysteine proteas
e CD clan","Phosphodiesterase 3B","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group A member 2","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2D6","Cyt
ochrome P450 2C9","Cytochrome P450 3A4","Other protein kinase TTK family","Cysteine protease C14 family","Other protein kinase AUR family","Cytochrome P450 2C19","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Chromatin modifying enzymes","Cytochrome P450","Cyclic nucleotide turnover/signalling","Catalytic receptors","Eicosanoid turnover","Peptidases and prote
inases","1A. Thyroid hormone receptors","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","CYP2 family: drug metabolising subset",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"
,"CYP3 family","Receptor kinases",Lipoxygenases,"CD: Cysteine (C) Peptidases","Prostaglandin synthases","CYP1 family","Other protein kinases","C14: Caspase","TTK family"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)",Metabolism,"Signal Transduction","Neuronal System","Cellular responses to external stimuli","DNA Repair","Cell Cycle","Immune System","Post-
translational protein modification","RNA Polymerase II Transcription","Biological oxidations","Signaling by GPCR","Transmission across Chemical Synapses","Metabolism of lipids","Metabolism of amino ac
ids and derivatives","Cellular responses to stress","Signaling by Receptor Tyrosine Kinases","DNA Double-Strand Break Repair",Mitotic,"Cytokine Signaling in Immune system",SUMOylation,"Generic Transcr
iption Pathway","Phase I - Functionalization of compounds","GPCR downstream signalling","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving medi
ators (SPMs)","Branched-chain amino acid catabolism","Cellular response to hypoxia","Signaling by Insulin receptor","Sphingolipid metabolism","Homology Directed Repair","M Phase","Signaling by Interle
ukins","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type","G alpha (s) signalling events","Transcriptional Regulation by M
ECP2","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","Transcriptional Regulation by TP53","Oxygen-depe
ndent proline hydroxylation of Hypoxia-inducible Factor Alpha","Insulin receptor signalling cascade","Glycosphingolipid metabolism","HDR through Homologous Recombination (HRR) or Single Strand Anneali
ng (SSA)","Mitotic Metaphase and Anaphase","Interleukin-10 signaling","SUMOylation of intracellular receptors","RUNX3 Regulates Immune Response and Cell Migration",Xenobiotics,"Regulation of MECP2 exp
ression and activity","Post NMDA receptor activation events","Biosynthesis of maresins","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of Cell Death Genes","IRS-mediated signalling","Bios
ynthesis of D-series resolvins","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","CYP2E1 reactions","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Biosyn
thesis of DPAn-3-derived maresins","TP53 Regulates Transcription of Caspase Activators and Caspases","PI3K Cascade","Homologous DNA Pairing and Strand Exchange","Aromatic amines can be N-hydroxylated 
or N-dealkylated by CYP1A2","Biosynthesis of DPAn-3-derived protectins and resolvins","Nuclear Envelope (NE) Reassembly","PKB-mediated events","Presynaptic phase of homologous DNA pairing and strand e
xchange","Initiation of Nuclear Envelope (NE) Reformation","PDE3B signalling"}

> <broad_targets>
{PDE3A,PDE3B,PDE4B,TNF}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{"RESTW 80",Amrinone,inamrinone,60719-84-8,60719848,"60719 84 8",Inocor,Wincoram,Cordemcura,Cartonic,"5-Amino-(3,4'-bipyridin)-6(1H)-one","5Amino(3,4'bipyridin)6(1H)one","5 Amino (3,4' bipyridin) 6(1H
) one","Amrinonum (INN-Latin)","Amrinonum (INNLatin)","Amrinonum (INN Latin)","Amrinona (INN-Spanish)","Amrinona (INNSpanish)","Amrinona (INN Spanish)",3-Amino-5-(4-pyridinyl)-2(1H)-pyridinone,3Amino5
(4pyridinyl)2(1H)pyridinone,"3 Amino 5 (4 pyridinyl) 2(1H) pyridinone",3-amino-5-pyridin-4-yl-1H-pyridin-2-one,3amino5pyridin4yl1Hpyridin2one,"3 amino 5 pyridin 4 yl 1H pyridin 2 one","WIN 40680",T126
5,1503084,Prestw-800,AMRINONE}

> <pdid>
PD001084

> <targets>
{Phosphodiesterase (PDE)}

> <classes>
{cardiac stimulant,Metabolic Enzyme/Protease}

> <pubchem_cids>
{3698}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
   -1.8114   -5.1333    0.0000 C   0  0
   -2.2130   -3.6880    0.0000 C   0  0
   -3.6655   -3.3136    0.0000 O   0  0
   -1.1612   -2.6174    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.7499   -4.3804    0.0000 C   0  0
   -0.2673   -5.4828    0.0000 C   0  0
    2.2131   -4.7105    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  1
 10 11  2  3
 11 12  1  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 13  1  0
 19 20  1  6
 19 21  1  0
 21  9  1  0
 21 22  1  6
 22 23  1  0
 23 24  1  0
 24  5  1  0
 24  8  1  0
 24 25  1  6
  5 26  1  0
 26 27  1  0
 26 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12378

> <plate>
PLATE 018

> <well>
G8

> <supplier_cmpd_name>
Megestrol acetate

> <ctcr_id>
5247

> <supplier_cmpd_id>
T1284

> <smiles>
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O

> <pd_targets>
{POLB,AR,HIF1A,NPSR1,PGR,LMNA,NR3C1,ABCB11,CYP2C9}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Membrane receptor","Other nuclear protein",Transporter,Protease,"Nuclear receptor","Family A G protein-coupled receptor","Primary active transporter","Cytochrome P450",
"Cysteine protease","Nuclear hormone receptor subfamily 3","Peptide receptor (family A GPCR)","ATP-binding cassette","Cytochrome P450 family 2","Cysteine protease CA clan","Nuclear hormone receptor su
bfamily 3 group C","Short peptide receptor (family A GPCR)","ABCB subfamily","Cytochrome P450 family 2C","Cysteine protease C1A family","Nuclear hormone receptor subfamily 3 group C member 4","Neurope
ptide receptor","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 1","Cytochrome P450 2C9"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Nuclear hormone receptors","G protein-coupled receptors","ATP-binding cassette transporter family","Cytochrome P450","Steroid hormone receptors","Neuropeptide S recept
or","ABCB subfamily","CYP2 family: drug metabolising subset","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"DNA Repair","Gene expression (Transcription)","Cellular responses to external stimuli",Disease,"Cell Cycle",Metabolism,"Metabolism of proteins","Base Excision Repair","RNA Polymerase II Transcriptio
n","Cellular responses to stress","Infectious disease",Mitotic,"Metabolism of lipids","Biological oxidations","Post-translational protein modification","Resolution of Abasic Sites (AP sites)","Generic
 Transcription Pathway","Cellular response to hypoxia","Leishmania infection","M Phase","Metabolism of steroids","Phase I - Functionalization of compounds",SUMOylation,"Resolution of AP sites via the 
multiple-nucleotide patch replacement pathway","Transcriptional regulation by RUNX2","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Leishmania parasite growth and survival
","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Bile acid and bile salt metabolism","Cytochrome P450 - arranged by substrate type","SUMO E3 ligases SUMOylate target proteins","PCNA-D
ependent Long Patch Base Excision Repair","RUNX2 regulates bone development","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","FOXO-mediated transcription of oxi
dative stress","metabolic and neuronal genes","Synthesis of bile acids and bile salts",Xenobiotics,"SUMOylation of intracellular receptors","RUNX2 regulates osteoblast differentiation","ADORA2B mediat
ed anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions","Initiation of Nuclear Envelope 
(NE) Reformation"}

> <broad_targets>
{NR3C1,PGR}

> <broad_moa>
{"progesterone receptor agonist"}

> <synonyms>
{"MEGESTROL ACETATE",595-33-5,595335,Megace,"Megace ES",Magestin,Niagestin,"Megestryl acetate",Megeron,Megestat,Ovaban,Ovarid,Maygace,Pallace,"BDH 1298","SC 10363",Megestrol-17-acetate,Megestrol17acet
ate,NSC-71423,NSC71423,Volidan,SC10363,UNII-TJ2M0FR8ES,UNIITJ2M0FR8ES,17alpha-Hydroxy-6-methylpregn,17alphaHydroxy6methylpregn,T1284,71423,S1304,SAM001246722,Prestw-956,"NSC 71423","Megestrol acetate"
,"Megestrol Acetate",CPD000058691}

> <pdid>
PD001872

> <targets>
{"Androgen Receptor"}

> <classes>
{"synthetic progestin","Endocrinology & Hormones"}

> <pubchem_cids>
{11683}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5987    1.5004    0.0000 N   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 N   0  0
    3.8943    3.7525    0.0000 C   0  0
    3.8919    5.2525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    1.2997   -3.7504    0.0000 C   0  0
    1.9725   -5.0026    0.0000 C   0  0
    2.7205   -3.7024    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8963   -3.7531    0.0000 C   0  0
   -5.1966   -3.0054    0.0000 O   0  0
   -3.8941   -5.2531    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11  5  1  0
  4 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 21  1  0
 20 24  1  0
 24  3  1  0
 24 15  2  0
 18 25  1  0
 25 26  1  0
 25 27  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12379

> <plate>
PLATE 018

> <well>
G9

> <supplier_cmpd_name>
Gatifloxacin

> <ctcr_id>
1610

> <supplier_cmpd_id>
T1293

> <smiles>
COc1c(N2CCNC(C)C2)c(F)cc3C(=O)C(=CN(C4CC4)c13)C(O)=O

> <pd_targets>
{HSD17B10,GYRA,GYRB,PARC,ALDH1A1,KDM4E,TDP1,ALOX15,CLK4,PRKD3,HPGD,SKA,CLK2,PARE}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Oxidoreductase,Isomerase,Eraser,Hydrolase,Kinase,Protease,"Lysine demethylase","Protein Kinase","Cysteine protease","Jumonji domain-containing","CMGC protein kinase grou
p","Cysteine protease CA clan","CAMK protein kinase group","CMGC protein kinase CLK family","Cysteine protease C1A family","CAMK protein kinase PKD family"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Eicosanoid turnover","Kinases (EC 2.7.x.x)","1.14.11.- Histone demethylases",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmod
ulin-dependent protein kinases","Prostaglandin synthases","CLK family","Protein kinase D (PKD) family"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Metabolism of amino acids and derivatives","Biological oxidations","DNA Double-Strand Break Repair","Metabolism of lipids","Branched-chain amino acid catabolism","Phase I - F
unctionalization of compounds","Nonhomologous End-Joining (NHEJ)","Biosynthesis of specialized proresolving mediators (SPMs)","Sphingolipid metabolism","Ethanol oxidation","Biosynthesis of DPA-derived
 SPMs","Sphingolipid de novo biosynthesis","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3-derived protectins and resolvin
s"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{STL048947,AKOS005702286,Gatifloxacin,112811-59-3,112811593,Tequin,Zymar,Gatiflo,AM-1155,AM1155,Zymaxid,"AM 1155","CG 5501",BMS-206584,BMS206584,"gatifloxacin anhydrous",GTFX,"Gatifloxacin hydrate",CH
EMBL31,PD-135432,PD135432,CHEBI:5280,Gatilox,Gatiquin,Gatispan,160738-57-8,160738578,Gait,T1293,SAM002589955,1504272,Prestw-1265,CPD000043336,GATIFLOXACIN}

> <pdid>
PD001202

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{4872633,5379}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 N   0  3
    0.0007    0.0004    0.0000 O   0  5
    2.5993    0.0004    0.0000 O   0  0
   17.8534   -3.3718    0.0000 Cl  0  0
   16.5544   -2.6218    0.0000 C   0  0
   16.5544   -1.1218    0.0000 C   0  0
   15.2554   -0.3718    0.0000 C   0  0
   13.9563   -1.1219    0.0000 C   0  0
   12.6550   -0.3741    0.0000 C   0  0
   11.3563   -1.1264    0.0000 O   0  0
   10.0550   -0.3787    0.0000 C   0  0
    8.7564   -1.1309    0.0000 C   0  0
    7.4551   -0.3832    0.0000 N   0  0
    6.1037   -1.0042    0.0000 C   0  0
    5.1000    0.1105    0.0000 C   0  0
    5.8500    1.4095    0.0000 N   0  0
    7.3172    1.0977    0.0000 C   0  0
   10.0524    1.1221    0.0000 C   0  0
   11.3512    1.8727    0.0000 C   0  0
   11.3506    3.3727    0.0000 C   0  0
   10.0513    4.1222    0.0000 C   0  0
   10.0507    5.6222    0.0000 Cl  0  0
    8.7525    3.3717    0.0000 C   0  0
    8.7531    1.8717    0.0000 C   0  0
    7.8872    1.3714    0.0000 Cl  0  0
   13.9563   -2.6219    0.0000 C   0  0
   15.2554   -3.3719    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 14  1  0
 12 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
  9 27  1  0
 27 28  2  0
 28  6  1  0
M  CHG  2   2   1   3  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12380

> <plate>
PLATE 018

> <well>
G10

> <supplier_cmpd_name>
Econazole nitrate

> <ctcr_id>
5282

> <supplier_cmpd_id>
T0444L

> <smiles>
O[N+]([O-])=O.Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{Tox21_110852_1,Tox211108521,Tox21-110852-1,"Tox21 110852 1",AB02338,AC-1113,AC1113,NSC-757882,NSC757882,"Econazole nitrate",24169-02-6,24169026,Ifenec,Pevaryl,Epi-pevaryl,Epipevaryl,Gyno-pevaryl,Gyno
pevaryl,"Econazole (nitrate)",Spectazole,68797-31-9,68797319,"Econazole nitrate salt","(+-)-Econazole nitrate","(+)Econazole nitrate","Gyno-Pevaryl 150","GynoPevaryl 150",Palavale,1501185,Prestw-304,"
ECONAZOLE NITRATE"}

> <pdid>
PD005536

> <targets>
{}

> <classes>
{antifungal}

> <pubchem_cids>
{68589}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.1996   -1.4928    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0
   -6.4972   -0.7365    0.0000 C   0  0
   -6.4920    0.7635    0.0000 C   0  0
   -5.1903    1.5090    0.0000 C   0  0
   -3.8939    0.7546    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12381

> <plate>
PLATE 018

> <well>
G11

> <supplier_cmpd_name>
Nepafenac

> <ctcr_id>
732

> <supplier_cmpd_id>
T1280

> <smiles>
NC(=O)Cc1cccc(c1N)C(=O)c2ccccc2

> <pd_targets>
{PTGS1,PTGS2}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Arachidonic acid metabolism","Biosynthesis of DPA-derived SPMs","Synthesis of Pr
ostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of DPAn-3 SPMs"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{Nepafenac,78281-72-8,78281728,Nevanac,2-Amino-3-benzoylbenzeneacetamide,2Amino3benzoylbenzeneacetamide,2-(2-Amino-3-benzoylphenyl)acetamide,2(2Amino3benzoylphenyl)acetamide,Ilevro,"AL 6515","AHR 9434
",AHR-9434,AHR9434,AL-6515,AL6515,"Benzeneacetamide, 2-amino-3-benzoyl-","Benzeneacetamide, 2amino3benzoyl",UNII-0J9L7J6V8C,UNII0J9L7J6V8C,CHEBI:75922,0J9L7J6V8C,MFCD08067732,T1280,S1255}

> <pdid>
PD000501

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{151075}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    5.5018   -3.1369    0.0000 C   0  0
    4.0102   -3.2959    0.0000 N   0  0
    3.4025   -4.6673    0.0000 C   0  0
    3.1255   -2.0835    0.0000 N   0  0
    1.6332   -2.2426    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 N   0  0
   -3.1247   -2.0836    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12382

> <plate>
PLATE 018

> <well>
H2

> <supplier_cmpd_name>
Dacarbazine

> <ctcr_id>
770

> <supplier_cmpd_id>
T1120

> <smiles>
CN(C)N=Nc1[nH]cnc1C(N)=O

> <pd_targets>
{TSHR,ALDH1A1,LMNA,KDM4E,MMP9,POLA2,PGD,AMPC,PAX8,TK1,G6PD,TMK,ADORA1,ADORA2A,TK}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein","Epigenetic regulator","Unclassified protein","Family A G protein-coupled receptor",Oxidoreductase,Eraser,Protease,Hydrolase,Transferase,"Peptide re
ceptor (family A GPCR)","Lysine demethylase","Metallo protease","Small molecule receptor (family A GPCR)","Glycohormone receptor","Jumonji domain-containing","Metallo protease MAM clan","Nucleotide-li
ke receptor (family A GPCR)","Metallo protease M10A subfamily","Adenosine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Chromatin modifying enzymes","Peptidases and proteinases","Glycoprotein hormone receptors","1.14.11.- Histone demethylases","MA: Metallo (M) Peptidase
s","Adenosine receptors","M10: Matrix metallopeptidase"}

> <pathway_reactome>
{Disease,Metabolism,"Cell Cycle","Developmental Biology","Gene expression (Transcription)","Signal Transduction","Infectious disease","Biological oxidations",Mitotic,"Nervous system development","Meta
bolism of carbohydrates","RNA Polymerase II Transcription","Signaling by GPCR","Leishmania infection","Phase I - Functionalization of compounds","M Phase","Axon guidance","Mitotic G1 phase and G1/S tr
ansition","Pentose phosphate pathway","Generic Transcription Pathway","GPCR ligand binding","Leishmania parasite growth and survival","Ethanol oxidation","Mitotic Metaphase and Anaphase","EPH-Ephrin s
ignaling","G1/S Transition","Transcriptional Regulation by TP53","Class A/1 (Rhodopsin-like receptors)","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","EPH-eph
rin mediated repulsion of cells","E2F mediated regulation of DNA replication","G1/S-Specific Transcription","TP53 Regulates Metabolic Genes","Nucleotide-like (purinergic) receptors","ADORA2B mediated 
anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Inhibition of replication initiation of damaged DNA by RB1/E2F1","Adenosine P1 receptors","Initiation of Nuclear Envelope (N
E) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{dacarbazina,NCGC00091861-01,NCGC0009186101,dacarbazine,4342-03-4,4342034,CHEBI:4305,"1H-imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazenyl)-","1Himidazole4carboxamide, 5(3,3dimethyl1triazenyl)","da
carbazine (unspecified geometry)",4-(Dimethyltriazeno)imidazole-5-carboxamide,4(Dimethyltriazeno)imidazole5carboxamide,DSSTox_CID_369,DSSToxCID369,DSSTox-CID-369,"DSSTox CID 369",DSSTox_RID_75545,DSST
oxRID75545,DSSTox-RID-75545,"DSSTox RID 75545",Dacarbazi,45388,Dacarbazine,Prestw-574,"NSC 45388
NSC 45388"}

> <pdid>
PD002396

> <targets>
{}

> <classes>
{"Alkylating agent"}

> <pubchem_cids>
{2942}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 F   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 N   0  0
   -1.2919   -9.7509    0.0000 C   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
    7.6990   -1.4991    0.0000 C   0  0
    7.6990   -2.9991    0.0000 S   0  0
    7.6990   -4.4991    0.0000 O   0  0
    6.3997   -3.7487    0.0000 O   0  0
    8.9983   -3.7487    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17  3  1  0
 17 11  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 18  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 26 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12383

> <plate>
PLATE 018

> <well>
H3

> <supplier_cmpd_name>
Pefloxacin Mesylate Dihydrate

> <ctcr_id>
4400

> <supplier_cmpd_id>
T0425L

> <smiles>
CCN1C=C(C(O)=O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3.C[S](O)(=O)=O

> <pd_targets>
{KDM4E,SKA,ALDH1A1,KMT2A,MEN1,HPGD,PARC,GYRA,TOP2A,TOPA}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Kinase,Oxidoreductase,Reader,Isomerase,"Lysine demethylase",Bromodomain,"Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Eicosanoid turnover","DNA topoisomerases","1.14.11.- Histone demethylases","Prostaglandin synthases"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Biological oxidations","Metabolism of lipids",Mitotic,"Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G1 phase
 and G1/S transition","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","G0 and Early G1","Biosynthesis of D-series resolvins","Transcription of E2F targets under negative control by DREAM comple
x"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{"pefloxacin mesilate",CHEBI:50194,Perti,"Pefloxacin mesylate",70458-95-6,70458956,"Pefloxacin methanesulfonate","PEFLOXACINE MESYLATE","Pefloxacin (mesylate)",UNII-5IAD0UV3FH,UNII5IAD0UV3FH,"41 982 R
P","Pefloxacin mesylate (USAN)",5IAD0UV3FH,"Pefloxacinium mesylate",T0425,T0425L,SAM001246571,1505305,"Pefloxacin Mesylate","Pefloxacin Mesylate Dihydrate",CPD000387024}

> <pdid>
PD009999

> <targets>
{}

> <classes>
{antiproliferative,antibacterial}

> <pubchem_cids>
{24883450,119525}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.6011   -3.0008    0.0000 C   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -3.9050   -5.2494    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -5.2011    2.9977    0.0000 O   0  0
   -6.4964    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 17 21  1  0
 21 12  1  0
 21 22  2  0
 22  8  1  0
 22 23  1  0
 15 24  1  0
 24 25  1  0
 24 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12384

> <plate>
PLATE 018

> <well>
H4

> <supplier_cmpd_name>
Fleroxacin

> <ctcr_id>
4795

> <supplier_cmpd_id>
T1294

> <smiles>
CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(O)=O

> <pd_targets>
{KDM4E,TOP2A,GYRA,PARC}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Isomerase,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","DNA topoisomerases","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G1 phase and G1/S transition","G0 and Early G1","Transcription of E2F targets under negative control by DREAM complex"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{fleroxacin,79660-72-3,79660723,Megalone,Fleroxicin,Megalocin,Quinodis,Fleroxacino,Fleroxacinum,Fleroxacine,AM-833,AM833,FLRX,"Fleroxacin (Quinodis)","Ro 23-6240/000","Ro 236240/000",UNII-N804LDH51K,U
NIIN804LDH51K,Ro-236240,Ro236240,CHEBI:31810,N804LDH51K,NCGC00167558-01,NCGC0016755801,"Fleroxacine (French)",Fler,T1294,Prestw-1414,Fleroxacin}

> <pdid>
PD000090

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3357,40466912}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.5517    0.8722    0.0000 N   0  0
   -7.5554    1.9869    0.0000 C   0  0
   -6.8054    3.2859    0.0000 C   0  0
   -5.3382    2.9741    0.0000 N   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -0.0060    5.9996    0.0000 O   0  0
   -1.3042    3.7491    0.0000 C   0  0
    6.3987    3.7498    0.0000 C   0  0
    6.3987    2.2498    0.0000 S   0  0
    6.3987    0.7498    0.0000 O   0  0
    5.0994    1.5002    0.0000 O   0  0
    7.6980    1.5002    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
  8 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 15  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 23 26  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12385

> <plate>
PLATE 018

> <well>
H5

> <supplier_cmpd_name>
Phentolamine mesilate

> <ctcr_id>
6302

> <supplier_cmpd_id>
T1275

> <smiles>
Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3.C[S](O)(=O)=O

> <pd_targets>
{BLM,AMPC,FFP,ADRA1A,ADRA1B,ADRA1D,MAPT,ALD,KDM4E,NS1,CYP2D6,TSHR,NFKB1,PMP22,CHRM1,CYP3A4,ADRA2A,ADRA2B,ADRA2C,CYP2C19,HRH1,HTR2A,NISCH,ESR2,HTR7,LMNA,SIGMAR1,DRD2,HTR1B,HTR3A,HTR1A,HTR2C,SCN1A,SCN2A
,SCN3A,SLC22A1,HTR1E,HTR2B,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein","Epigenetic regulator","Unclassified protein","Transcription factor","Other nuclear protein","Ion channel",Transporter,Hydrolase,Transferase,"Fami
ly A G protein-coupled receptor",Eraser,"Cytochrome P450","Nuclear receptor","Ligand-gated ion channel","Voltage-gated ion channel","Electrochemical transporter","Small molecule receptor (family A GPC
R)","Lysine demethylase","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 3","5HT3 receptor","Voltage-gated sodium channel",
"SLC superfamily of solute carriers","Potassium channels","Monoamine receptor","Jumonji domain-containing","Cytochrome P450 family 2D","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P
450 family 2C","Nuclear hormone receptor subfamily 3 group A","SLC22 family of organic cation and anion transporters","Voltage-gated potassium channel","Adrenergic receptor","Cytochrome P450 2D6","Ace
tylcholine receptor","Cytochrome P450 3A4","Cytochrome P450 2C19","Histamine receptor","Serotonin receptor","Nuclear hormone receptor subfamily 3 group A member 2","Dopamine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Ion channels",Transporters,"Chromatin modifying enzymes","Cytochrome P450","G protein-coupled receptors","Nuclear hormone receptors","Sigma receptors","Liga
nd-gated ion channels","SLC superfamily of solute carriers","Voltage-gated ion channels","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","Acet
ylcholine receptors (muscarinic)","CYP3 family",Adrenoceptors,"Histamine receptors","5-Hydroxytryptamine receptors","Steroid hormone receptors","Dopamine receptors","5-HT<sub>3</sub> receptors","SLC22
 family of organic cation and anion transporters","Potassium channels","3A. Estrogen receptors","Organic cation transporters (OCT)","Voltage-gated potassium channels"}

> <pathway_reactome>
{"DNA Repair","Neuronal System",Metabolism,Disease,"Immune System","Developmental Biology","Signal Transduction","Cell Cycle","Transport of small molecules","Muscle contraction","DNA Double-Strand Bre
ak Repair","Transmission across Chemical Synapses","Biological oxidations","Infectious disease","Cytokine Signaling in Immune system","Nervous system development","Signaling by GPCR","Metabolism of li
pids","Intracellular signaling by second messengers",Mitotic,"SLC-mediated transmembrane transport","Cardiac conduction","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal 
transmission","Phase I - Functionalization of compounds","Leishmania infection","Signaling by Interleukins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","Bios
ynthesis of specialized proresolving mediators (SPMs)","PIP3 activates AKT signaling","M Phase","SARS-CoV Infections","Transport of bile salts and organic acids","metal ions and amine compounds","Phas
e 3 - rapid repolarisation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged by substrat
e type","Leishmania parasite growth and survival","Interleukin-1 family signaling","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Negative regulation of the PI3K/AKT networ
k","Mitotic Metaphase and Anaphase","Potential therapeutics for SARS","Organic cation/anion/zwitterion transport","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events",Xe
nobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Interleukin-1 signaling","Amine ligand-binding receptors","Biosynthesis of maresins",PI5P,"PP2A and IER3 Regulate PI3K/A
KT Signaling","Mitotic Anaphase","Organic cation transport","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","ADORA2B mediated anti-inflammator
y cytokines production","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Histamine receptors","Serotonin receptors",
"Nuclear Envelope (NE) Reassembly","Dopamine receptors","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{"Phentolamine mesylate",65-28-1,65281,"65 28 1","phentolamine mesilate","Phentolamine methanesulfonate","Phentolamine (mesylate)","Regitine mesylate",OraVerse,"Phentolamine mesylate (USP)",UNII-Y7543
E5K9T,UNIIY7543E5K9T,"UNII Y7543E5K9T","Phentolamine methanesulfonate salt",MLS000069487,Y7543E5,T1275,S2038,"Phentolamine mesilate","Phentolamine Mesylate"}

> <pdid>
PD009843

> <targets>
{"adrenergic receptor","Adrenergic Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{91430,517293}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 O   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -3.8805    1.4409    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    0.0093   -6.0025    0.0000 C   0  0
    2.6078   -5.9988    0.0000 C   0  0
    2.6109   -7.4996    0.0000 C   0  0
    3.9117   -8.2481    0.0000 C   0  0
    5.2095   -7.4959    0.0000 O   0  0
    3.9148   -9.7481    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  6  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  3  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12386

> <plate>
PLATE 018

> <well>
H6

> <supplier_cmpd_name>
Mycophenolic acid

> <ctcr_id>
799

> <supplier_cmpd_id>
T1335

> <smiles>
COc1c(C)c2COC(=O)c2c(O)c1C\C=C(C)\CCC(O)=O

> <pd_targets>
{ALDH1A1,HPGD,CYP1A2,UGT2B7,IMPDH2,IMPDH1,HSD17B10,SMN1,LSS,KDM4E,CYP3A4,LMNA,LEF}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other nuclear protein",Oxidoreductase,"Cytochrome P450",Transferase,Reader,Isomerase,Eraser,Protease,"Cytochrome P450 family 1","Methyl-lysine/arginine binding protein"
,"Lysine demethylase","Cytochrome P450 family 3","Metallo protease","Cytochrome P450 family 1A","Tudor domain","Jumonji domain-containing","Cytochrome P450 family 3A","Metallo protease MAE clan","Cyto
chrome P450 1A1","Cytochrome P450 3A4","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Cytochrome P450","1.-.-.- Oxidoreductases","Lanosterol biosynthesis pathway","Chromatin modifying enzymes","Prostaglandin synthases","CYP1 family","1.14.11.- Histone de
methylases","CYP3 family"}

> <pathway_reactome>
{Metabolism,Disease,"Metabolism of RNA","Cell Cycle","Biological oxidations","Metabolism of lipids","Infectious disease","Metabolism of amino acids and derivatives","Metabolism of non-coding RNA",Mito
tic,"Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Phase II - Conjugation of compounds","SARS-CoV Infections","Branched-chain amino acid catabo
lism","snRNP Assembly","Metabolism of steroids","M Phase","Uptake and actions of bacterial toxins","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type"
,Glucuronidation,"Potential therapeutics for SARS","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","Biosynthesis of D
-series resolvins",Xenobiotics,"Activation of gene expression by SREBF (SREBP)","Biosynthesis of maresins","Mitotic Anaphase","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosyn
thesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{IMPDH1,IMPDH2}

> <broad_moa>
{"dehydrogenase inhibitor","inositol monophosphatase inhibitor"}

> <synonyms>
{"mycophenolic acid",24280-93-1,24280931,Mycophenolate,Myfortic,Melbex,Mycophenolsaeure,Lilly-68618,Lilly68618,"Acido micofenolico","Micofenolico acido",NSC-129185,NSC129185,"Acide mycophenolique","Ac
idum mycophenolicum",483-60-3,483603,"CCRIS 5565","NSC 129185",UNII-HU9DX,UNIIHU9DX,T1335,1500674,"Mycophenolic acid","MYCOPHENOLIC ACID"}

> <pdid>
PD001641

> <targets>
{Antibiotic,Apoptosis,Bacterial,Endogenous Metabolite,Fungal}

> <classes>
{antineoplastic,Anti-infection,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{446541}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 22  0  0  0  0            999 V2000
   15.4003    0.3761    0.0000 H   0  3
   12.9003    0.3761    0.0000 Cl  0  5
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    7.7998   -2.9895    0.0000 C   0  0
    6.5010   -3.7399    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
    0.0000    3.0008    0.0000 S   0  0
   -1.2993    3.7504    0.0000 C   0  0
    1.2985    3.7517    0.0000 O   0  0
   -0.0007    4.5008    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  1  0
 15 21  1  0
 21 22  1  0
 21 23  2  0
 21 24  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12387

> <plate>
PLATE 018

> <well>
H7

> <supplier_cmpd_name>
Tiapride hydrochloride

> <ctcr_id>
921

> <supplier_cmpd_id>
T1292

> <smiles>
[H+].[Cl-].CCN(CC)CCNC(=O)c1cc(ccc1OC)[S](C)(=O)=O

> <pd_targets>
{BLM,NFO,RORC,LMNA,CHRM1,CYP2D6,DRD2,STAT6,TSHR,DRD3,ADRA2A,HTR1A,HTR1B,HTR1D,HTR1E,HTR1F,HTR2A,HTR2B,HTR2C,HTR3A,HTR3B,HTR3C,HTR3D,HTR3E,HTR4,HTR6,HTR7,ADRA1A,ADRA1B,ADRA1D,ADRA2B,ADRA2C}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other nuclear protein","Membrane receptor",Hydrolase,"Nuclear receptor","Family A G protein-coupled receptor","Cytochrome P450","Nuclear hormone receptor subfamily 1","
Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","Cytochrome P450 family 2D","
Glycohormone receptor","Nuclear hormone receptor subfamily 1 group F member 3","Acetylcholine receptor","Cytochrome P450 2D6","Dopamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","G protein-coupled receptors","Cytochrome P450","Transcription factors","1F. Retinoic acid-related orphans","Acetylcholine recept
ors (muscarinic)","CYP2 family: drug metabolising subset","Dopamine receptors","STAT transcription factors","Glycoprotein hormone receptors",Adrenoceptors}

> <pathway_reactome>
{"DNA Repair","Gene expression (Transcription)","Cell Cycle","Signal Transduction",Metabolism,"Immune System",Disease,"DNA Double-Strand Break Repair","RNA Polymerase II Transcription",Mitotic,"Signal
ing by GPCR","Biological oxidations","Innate Immune System","Infectious disease","Homology Directed Repair","Generic Transcription Pathway","M Phase","GPCR ligand binding","Phase I - Functionalization
 of compounds","Cytosolic sensors of pathogen-associated DNA","Leishmania infection","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3"
,"Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","STING mediated induction of host immune responses","Leishmania parasite growth 
and survival","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Amine ligand-binding receptors",Xenobiotics,"STAT6-mediated inductio
n of chemokines","Anti-inflammatory response favouring Leishmania parasite infection","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptor
s","CYP2E1 reactions","Dopamine receptors","ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors,"Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nucl
ear Envelope (NE) Reformation"}

> <broad_targets>
{DRD2,DRD3}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{"Tiapride hydrochloride",51012-33-0,51012330,"Tiapride (hydrochloride)","Tiapride HCl",Tiapridal,MLS000069678,UNII-25N106WEDO,UNII25N106WEDO,MFCD00133861,SMR000058514,"51012-33-0 (HCl)","51012330 (HC
l)",DSSTox_CID_25210,DSSToxCID25210,DSSTox-CID-25210,"DSSTox CID 25210",DSSTox_RID_80753,DSSToxRID80753,DSSTox-RID-80753,"DSSTox RID 80753",DSSTox_GSID_45210,DSSToxGSID45210,DSSTox-GSID-45210,"DSSTox 
GSID 45210",N-(2-(Diethylam,N(2(Diethylam,T1292,1503086,Prestw-216,"TIAPRIDE HYDROCHLORIDE"}

> <pdid>
PD013238

> <targets>
{}

> <classes>
{neuroleptic}

> <pubchem_cids>
{5702214,39855,657300}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.4469   -5.2297    0.0000 N   0  0
    2.9152   -5.5365    0.0000 C   0  0
    3.6607   -4.2349    0.0000 C   0  0
    2.6532   -3.1236    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  3  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12388

> <plate>
PLATE 018

> <well>
H8

> <supplier_cmpd_name>
Moxonidine

> <ctcr_id>
3011

> <supplier_cmpd_id>
T1028

> <smiles>
COc1nc(C)nc(Cl)c1NC2=NCCN2

> <pd_targets>
{PMP22,TDP1,ALOX15,ADRA2C,LMNA,ADRA2B,ADRA2A,NISCH,CHRM1,HTR1A}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Membrane receptor","Other nuclear protein","Other cytosolic protein",Hydrolase,Oxidoreductase,"Family A G protein-coupled receptor","Small molecule receptor (family A G
PCR)","Monoamine receptor","Adrenergic receptor","Acetylcholine receptor","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","G protein-coupled receptors",Lipoxygenases,Adrenoceptors,"Acetylcholine receptors (muscarinic)","5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{"Developmental Biology","DNA Repair",Metabolism,"Signal Transduction","Cell Cycle","Nervous system development","DNA Double-Strand Break Repair","Metabolism of lipids","Signaling by GPCR",Mitotic,"EG
R2 and SOX10-mediated initiation of Schwann cell myelination","Nonhomologous End-Joining (NHEJ)","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","M Phase","Biosynthes
is of DPA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase","Biosynthesis of DPAn-3 SPMs","Amine ligand-binding receptors","Mitotic Anaphase","Biosynthesis of DPAn-
3-derived protectins and resolvins",Adrenoceptors,"Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA2A,ADRA2B,ADRA2C}

> <broad_moa>
{"imidazoline receptor agonist"}

> <synonyms>
{MOXONIDINE,75438-57-2,75438572,Norcynt,Nucynt,Cynt,Physiotens,"BE 5895",BDF5895,UNII-CC6X0L40GW,UNIICC6X0L40GW,"BDF 5895",Lomox,"LY 326869",4-chloro-N-imidazolidin-2-ylidene-6-methoxy-2-methylpyrimid
in-5-amine,4chloroNimidazolidin2ylidene6methoxy2methylpyrimidin5amine,CC6X0L40GW,CHEMBL19236,CHEBI:7009,BDF5896,4-Chloro-5-(2-im,4Chloro5(2im,Prestw-1016,Moxonidine}

> <pdid>
PD008988

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4810}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 62 68  0  0  1  0            999 V2000
    2.3479   -2.2342    0.0000 C   0  0
    1.3857   -1.0835    0.0000 C   0  0
    1.9017    0.3250    0.0000 O   0  0
   -0.0927   -1.3420    0.0000 O   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  1  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    4.0400   -2.4900    0.0000 C   0  0
    4.0400   -1.0400    0.0000 C   0  0  1  0  0  0
    4.7600    0.2300    0.0000 O   0  0
    3.4900    0.9500    0.0000 C   0  0
    2.7600   -0.3100    0.0000 C   0  0  2  0  0  0
    3.9139    0.6592    0.0000 O   0  0
    3.6492    2.1365    0.0000 C   0  0
    2.2381    2.6452    0.0000 C   0  0
    4.7950    3.1046    0.0000 O   0  0
    1.4900   -1.0400    0.0000 C   0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  2  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -4.9103    1.2119    0.0000 C   0  0
   -3.6112    1.9619    0.0000 O   0  0
   -6.2098    1.9627    0.0000 C   0  0  2  0  0  0
   -7.5088    1.2126    0.0000 O   0  0
   -6.2103    3.4635    0.0000 C   0  0  1  0  0  0
   -7.5099    4.2143    0.0000 N   0  0
   -7.5104    5.7151    0.0000 C   0  0
   -6.2114    6.4651    0.0000 O   0  0
   -8.8099    6.4659    0.0000 C   0  0
   -8.8126    7.9659    0.0000 C   0  0
  -10.1130    8.7137    0.0000 C   0  0
  -11.4107    7.9614    0.0000 C   0  0
  -11.4081    6.4614    0.0000 C   0  0
  -10.1077    5.7137    0.0000 C   0  0
   -4.9107    4.2139    0.0000 C   0  0
   -4.9085    5.7140    0.0000 C   0  0
   -3.6085    6.4623    0.0000 C   0  0
   -2.3105    5.7105    0.0000 C   0  0
   -2.3125    4.2105    0.0000 C   0  0
   -3.6125    3.4623    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  6
 10 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 13  1  0
 16 17  1  1
 17 18  1  0
 18 19  1  0
 18 20  2  0
 16 21  1  0
 21  8  1  0
 21 22  1  0
 22 23  1  1
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 22 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  0
 35 36  1  1
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  6
 39 41  1  0
 41 42  1  1
 42 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 45  1  0
 41 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  2  0
 56 51  1  0
 35 57  1  0
 57 58  2  3
 58  5  1  0
 58 59  1  0
 59 32  1  0
 59 60  1  0
 59 61  1  0
 57 62  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12389

> <plate>
PLATE 018

> <well>
H9

> <supplier_cmpd_name>
Paclitaxel

> <ctcr_id>
4999

> <supplier_cmpd_id>
T0968

> <smiles>
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C

> <pd_targets>
{KMT2A,MEN1,LMNA,ITGAV,ITGB3,TUBB2B,RORC,FFP,SLCO1B3,SLCO1B1,MAPT,CYP3A4,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,PMP22,AMPC,THPO,NPSR1,BLM,ABCB11,TH
RB,HIF1A,MERTK,GROES,GROL,LEF,GMNN,CYP2C9,CCKAR,BOTA,RECQL,TUBB5,NR1I2,CYP1A2,MC5R,ERBB2,OPRD1,TACR2,MTOR,FYN,ABCB1,NOD2,TLR4,BCL2}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein","Membrane receptor","Structural protein",Enzyme,"Transcription factor",Transporter,"Other cytosolic protein","Unclassified protein","Ion channel",Reader
,Protease,"Nuclear receptor",Transferase,"Electrochemical transporter","Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor","Primary active transporter",Kinase,"Other ion channel",Bromodo
main,"Cysteine protease","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","ATP-binding cassette","Protein Kinas
e","Metallo protease","Cytochrome P450 family 2","Cytochrome P450 family 1","Miscellaneous ion channel","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group F","SLC21/SLCO family of
 organic anion transporting polypeptides","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","ABCB subfamily","Nuclear hormone receptor subfamily 1 group A","TK protein kinase group"
,"Metallo protease MAE clan","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 family 1A","Atypical protein kinase group","Bcl-2 family","Cysteine protease C1
A family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group A member 2","Tyrosine protein kinase Axl fam
ily","Metallo protease M34 family","Cytochrome P450 2C9","Cholecystokinin receptor","Metallo protease M27 family","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 1A1","Melanoc
ortin receptor","Tyrosine protein kinase EGFR family","Opioid receptor","Neurokinin receptor","Atypical protein kinase PIKK family","Tyrosine protein kinase Src family","Atypical protein kinase FRAP s
ubfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Other protein targets","Catalytic receptors","Nuclear hormone receptors","SLC superfamily of solute carriers","Cytochrome P450","G protein-coupled receptors","ATP-bind
ing cassette transporter family",Tubulins,"Kinases (EC 2.7.x.x)","B-cell lymphoma 2 (Bcl-2) protein family",Integrins,"1F. Retinoic acid-related orphans","SLCO family of organic anion transporting pol
ypeptides","CYP3 family","Neuropeptide S receptor","ABCB subfamily","1A. Thyroid hormone receptors","Receptor kinases","CYP2 family: drug metabolising subset","Cholecystokinin receptors","1I. Vitamin 
D receptor-like receptors","CYP1 family","Melanocortin receptors","Opioid receptors","Tachykinin receptors",Atypical,"Pattern recognition receptors","TK: Tyrosine kinase","Phosphatidyl inositol 3' kin
ase-related kinases (PIKK) family","NOD-like receptor family","Toll-like receptor family","Receptor tyrosine kinases (RTKs)","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Type XI RTKs: TAM
 (TYRO3-","AXL- and MER-TK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Metabolism,"Neuronal System","Developmental Biology",Hemostasis,Disease,"DNA Repair","Metabolism of proteins","Cellular responses to external stimuli","
Signal Transduction","Immune System",Mitotic,"RNA Polymerase II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","Nervous system development","Platelet activation","signal
ing and aggregation","Infectious disease","DNA Double-Strand Break Repair","Post-translational protein modification","Cellular responses to stress","Cell surface interactions at the vascular wall","Bi
ological oxidations","Signaling by GPCR","Abacavir transport and metabolism","Innate Immune System","M Phase","Generic Transcription Pathway","Metabolism of steroids","Neurotransmitter receptors and p
ostsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Platelet Aggregation (Plug Formation)","L
eishmania infection","Homology Directed Repair",SUMOylation,"Cellular response to hypoxia","Uptake and actions of bacterial toxins","Mitotic G1 phase and G1/S transition","Phase I - Functionalization 
of compounds","GPCR ligand binding","Mitotic G2-G2/M phases","Axon guidance","HIV Infection","Abacavir transmembrane transport","Toll-like Receptor Cascades","Nucleotide-binding domain","leucine rich 
repeat containing receptor (NLR) signaling pathways","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","Activation of NMDA receptors and posts
ynaptic events","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","SUMO E3 ligases SUMOylate ta
rget proteins","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Uptake and function of anthrax toxins","G1/S Transition","Cytochrome P450 - arranged by substrate type","Clas
s A/1 (Rhodopsin-like receptors)","Neurotoxicity of clostridium toxins","G2/M Transition","Semaphorin interactions","Transcriptional Regulation by TP53","Host Interactions of HIV factors","Toll Like R
eceptor 5 (TLR5) Cascade","Toll Like Receptor 4 (TLR4) Cascade",Inflammasomes,"Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Recycling of bile acids and salts","Post NMDA rec
eptor activation events","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","HDR through Homologous Recombination (HRR)","Synthesis of bile acids and bile 
salts","SUMOylation of intracellular receptors","Activation of the pre-replicative complex",Xenobiotics,"Peptide ligand-binding receptors","Toxicity of botulinum toxin type A (botA)","Centrosome matur
ation","Sema4D in semaphorin signaling","Regulation of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","MyD88 cascade initiated on plasma membrane","MyD88-independent TL
R4 cascade","The NLRP1 inflammasome","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines prod
uction","Homologous DNA Pairing and Strand Exchange","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions","Loss of proteins required for interphase microtubule org
anization from the centrosome","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Sema4D induced cell migration and growth-cone collapse","Tachykinin receptors bind tachykinins","Regu
lation of TP53 Expression and Degradation","Nef and signal transduction","MAP kinase activation","TRIF(TICAM1)-mediated TLR4 signaling","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic p
hase of homologous DNA pairing and strand exchange","Loss of Nlp from mitotic centrosomes","Sealing of the nuclear envelope (NE) by ESCRT-III","Regulation of TP53 Degradation","activated TAK1 mediates
 p38 MAPK activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{BCL2,MAP2,MAP4,MAPT,NR1I2,TLR4,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3D,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{SBI-0051168.P003,SBI0051168.P003,AB0008536,EU-0101201,EU0101201,P1632,C07394,paclitaxel,33069-62-4,33069624,C47H51NO14,"Paclitaxel - Taxol","Paclitaxel  Taxol",S1150_Selleck,S1150Selleck,S1150-Sellec
k,"S1150 Selleck",Spectrum_001536,Spectrum001536,Spectrum-001536,"Spectrum 001536",Spectrum2_000872,Spectrum2000872,Spectrum2-000872,"Spectrum2 000872",Spectrum3_001057,Spectrum3001057,Spectrum3-00105
7,"Spectrum3 001057",Spectrum4_001197,Spectrum4001197,Spectrum4-001197,"Spectrum4 001197",Spectrum5_001491,Spectrum5001491,Spectrum5-001491,"Spectrum5 001491",Probes2_000350,Probes2000350,Probes2-0003
50,"Probes2 000350",Lopac0_001201,Lopac0001201,Lopac0-001201,"Lopac0 001201",BSPBio_00115,BSPBio00115,BSPBio-00115,"BSPBio 00115",T3S2372,T0968,1503908,7-Epitaxol,Paclitaxel,PACLITAXEL}

> <pdid>
PD000814

> <targets>
{}

> <classes>
{antineoplastic}

> <pubchem_cids>
{441276}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 28  0  0  0  0            999 V2000
   15.1894   -0.0057    0.0000 H   0  3
   12.6894   -0.0057    0.0000 H   0  3
   10.1894   -0.0057    0.0000 Cl  0  5
    7.6894   -0.0057    0.0000 Cl  0  5
    5.1873   -7.5109    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5998    1.4986    0.0000 C   0  0
   -3.8983    0.7460    0.0000 C   0  0
   -3.8989   -0.7540    0.0000 C   0  0
   -5.1982   -1.5035    0.0000 C   0  0
   -6.4970   -0.7530    0.0000 C   0  0
   -6.4964    0.7470    0.0000 C   0  0
   -5.1971    1.4965    0.0000 C   0  0
   -2.6013    2.9994    0.0000 C   0  0
   -1.3046    3.7535    0.0000 C   0  0
   -1.3092    5.2535    0.0000 C   0  0
   -2.6105    5.9995    0.0000 C   0  0
   -2.6152    7.4995    0.0000 Cl  0  0
   -3.9073    5.2455    0.0000 C   0  0
   -3.9027    3.7455    0.0000 C   0  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 17 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 24  1  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12390

> <plate>
PLATE 018

> <well>
H10

> <supplier_cmpd_name>
Hydroxyzine dihydrochloride

> <ctcr_id>
4800

> <supplier_cmpd_id>
T2200

> <smiles>
[H+].[H+].[Cl-].[Cl-].OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3

> <pd_targets>
{KMT2A,MEN1,NS1,CYP3A4,ENV,ALD,ALOX15,HIF1A,FFP,HSD17B10,MAPT,TGR,AMPC,HRH1,DRD2,ADRA1A,ADRA1B,ADRA1D,ABCB11,HTR2A,SLCO1B1,SLCO1B3,KCNH2,CYP2D6}

> <pathway_gtopdb>
{"Epigenetic regulator","Unclassified protein",Enzyme,"Surface antigen","Transcription factor","Other cytosolic protein","Membrane receptor",Transporter,"Ion channel",Reader,"Cytochrome P450",Oxidored
uctase,Protease,Transferase,Hydrolase,"Family A G protein-coupled receptor","Primary active transporter","Electrochemical transporter","Voltage-gated ion channel",Bromodomain,"Cytochrome P450 family 3
","Cysteine protease","Small molecule receptor (family A GPCR)","ATP-binding cassette","SLC superfamily of solute carriers","Potassium channels","Cytochrome P450 family 2","Cytochrome P450 family 3A",
"Cysteine protease CA clan","Monoamine receptor","ABCB subfamily","SLC21/SLCO family of organic anion transporting polypeptides","Voltage-gated potassium channel","Cytochrome P450 family 2D","Cytochro
me P450 3A4","Cysteine protease C1A family","Histamine receptor","Dopamine receptor","Adrenergic receptor","Serotonin receptor","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","Eicosanoid turnover","G protein-coupled receptors","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Vol
tage-gated ion channels","CYP3 family",Lipoxygenases,"Histamine receptors","Dopamine receptors","ABCB subfamily","5-Hydroxytryptamine receptors","SLCO family of organic anion transporting polypeptides
","Potassium channels","CYP2 family: drug metabolising subset","Voltage-gated potassium channels"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Neuronal System","Signal Transduction","Muscle contraction","Metabolism of lipids","Cellular responses to stress","Metabolism of amino acids and d
erivatives","Transmission across Chemical Synapses","Signaling by GPCR","Cardiac conduction","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Cellular response to h
ypoxia","Branched-chain amino acid catabolism","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","Metabolism of steroids","Phase 3 - rapid repolarisation","Phase 
I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Activation of NMDA
 receptors and postsynaptic events","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Cytochrome P450 - arranged by substrate type","Biosynthesis of maresins","Biosynthesis 
of DPAn-3 SPMs","Post NMDA receptor activation events","Amine ligand-binding receptors","Synthesis of bile acids and bile salts","Recycling of bile acids and salts",Xenobiotics,"Biosynthesis of maresi
n-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Activation of AMPK downstream of NMDARs","Histamine receptors","Dopamine receptors","Synthesis of bile acids and bile salts via 
7alpha-hydroxycholesterol","Serotonin receptors","CYP2E1 reactions"}

> <broad_targets>
{HRH1}

> <broad_moa>
{antihistamine}

> <synonyms>
{"Hydroxyzine dihydrochloride",2192-20-3,2192203,"Hydroxyzine hydrochloride","Hydroxyzine 2HCl",Orgatrax,"Hydroxyzine Hcl","Hydroxyzine (dihydrochloride)",MFCD00058200,UNII-5AQ4KXB9U4,UNII5AQ4KXB9U4,U
NII-GF8H55RPZ9,UNIIGF8H55RPZ9,5AQ4KXB9U4,GF8H55RPZ9,"2192-20-3 (2HCl)","2192203 (2HCl)",Arca,T2200,S4026,S4027,Prestw-133,"Flavoxate HCl"}

> <pdid>
PD009966

> <targets>
{AChR,"Histamine Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{91513,24883432}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    0.1423    1.5763    0.0000 C   0  0
    0.0479    0.0793    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    2.8524   -0.2919    0.0000 O   0  0
    3.4192   -2.8384    0.0000 C   0  0
    4.4371   -3.9401    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 16 15  1  6
 16  6  1  0
 16 10  1  0
  7 17  1  0
 17  3  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20  3  1  0
 20 21  1  1
 20 22  1  0
 22 23  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12391

> <plate>
PLATE 018

> <well>
H11

> <supplier_cmpd_name>
Levonorgestrel

> <ctcr_id>
619

> <supplier_cmpd_id>
T1263

> <smiles>
CC[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C

> <pd_targets>
{PGR,SRD5A1,ESR1,AR,SHBG,NR3C1,LMNA,KMT2A,MEN1,AMPC,SLC6A4}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Secreted protein","Nuclear receptor",Oxidoreductase,"Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subf
amily 3 group A","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormon
e receptor subfamily 3 group C member 1","Other nuclear protein","Epigenetic regulator",Transporter,Reader,Hydrolase,"Electrochemical transporter",Bromodomain,"SLC superfamily of solute carriers","SLC
06 neurotransmitter transporter family"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors","3A. Estrogen receptors",Transporters,"SLC superfamily of solute carriers","SLC6 neurotransmitter trans
porter family","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Gene expression (Transcription)","Post-translational protein modification","Metabolism of lipids","RNA Polymerase II Transcription",SUMOylation,"Metabolism of ste
roids","Generic Transcription Pathway","SUMO E3 ligases SUMOylate target proteins","Metabolism of steroid hormones","Transcriptional regulation by RUNX1","Transcriptional regulation by RUNX2","FOXO-me
diated transcription","SUMOylation of intracellular receptors","Androgen biosynthesis","RUNX1 regulates estrogen receptor mediated transcription","RUNX2 regulates bone development","FOXO-mediated tran
scription of oxidative stress","metabolic and neuronal genes","RUNX2 regulates osteoblast differentiation","Cell Cycle","Neuronal System",Mitotic,"Transmission across Chemical Synapses","M Phase","Neu
rotransmitter clearance","Mitotic Metaphase and Anaphase","Serotonin clearance from the synaptic cleft","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Refor
mation"}

> <broad_targets>
{AR,ESR1,PGR,SRD5A1}

> <broad_moa>
{"progesterone receptor agonist"}

> <synonyms>
{norgestrel,6533-00-2,6533002,Spectrum_001019,Spectrum001019,Spectrum-001019,"Spectrum 001019",Spectrum2_001007,Spectrum2001007,Spectrum2-001007,"Spectrum2 001007",Spectrum3_000525,Spectrum3000525,Spe
ctrum3-000525,"Spectrum3 000525",Spectrum4_000454,Spectrum4000454,Spectrum4-000454,"Spectrum4 000454",Spectrum5_001236,Spectrum5001236,Spectrum5-001236,"Spectrum5 001236",BSPBio_002109,BSPBio002109,BS
PBio-002109,"BSPBio 002109",KBioGR_000868,KBioGR000868,KBioGR-000868,"KBioGR 000868",KBioSS_001499,KBioSS001499,KBioSS-001499,"KBioSS 001499",DivK1c_000608,DivK1c000608,DivK1c-000608,"DivK1c 000608",S
PECTRUM1500441,SPBio_001133,SPBio001133,SPBio-001133,"SPBio 001133",CHEMBL4571597,SCHEMBL14360765,CHEBI:91741,HMS501O10,KB,T1263,T2597,1500441,Levonorgestrel,Norgestrel,NORGESTREL}

> <pdid>
PD001660

> <targets>
{Reactive Oxygen Species}

> <classes>
{progestogen,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{5702096}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  -11.6982    3.7390    0.0000 C   0  0
  -12.9973    4.4890    0.0000 O   0  0
  -12.9977    2.9881    0.0000 C   0  0
  -12.9972    1.4881    0.0000 C   0  0
  -14.2960    0.7377    0.0000 C   0  0
  -15.5953    1.4872    0.0000 C   0  0
  -15.5958    2.9872    0.0000 C   0  0
  -14.2970    3.7377    0.0000 C   0  0
  -11.6978    5.2398    0.0000 C   0  0
  -10.3985    5.9894    0.0000 C   0  0
  -10.3981    7.4894    0.0000 C   0  0
  -11.6969    8.2398    0.0000 C   0  0
  -12.9961    7.4902    0.0000 C   0  0
  -12.9966    5.9902    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 22 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12392

> <plate>
PLATE 019

> <well>
A2

> <supplier_cmpd_name>
Terfenadine

> <ctcr_id>
6764

> <supplier_cmpd_id>
T1266

> <smiles>
CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4

> <pd_targets>
{KCNH2,CYP3A4,MAPT,RORC,CHRM1,GMNN,FTL,CYP2J2,HRH1,PMP22,BLM,HTT,THPO,GAA,ADRA1A,ADRA1B,ADRA1D,LMNA,KMT2A,MEN1,NPSR1,ABCB1,KCNH1,LUXR,NFO,ABCB1A,DRD3,HTR2A,HTR2B,HTR2C,SCN5A,CACNA1C,MTOR,ADRA2C,SLC6A2
,ABCB1B,CCR5,SLC6A3,CACNA1D,CACNA1F,CACNA1S,DRD2,TACR2,EGFR,FYN,HTR6,CHRM3,CHRM5,CHRM4,CHRM2,CYP1A2,CYP2D6,CYP2C19,HIF1A,LEF,XBP1}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other cytosolic protein","Transcription factor","Membrane receptor","Unclassified protein","Other nuclear protein","Epigenetic regulator",Transporter,"Voltage-gated ion channel"
,"Cytochrome P450","Nuclear receptor","Family A G protein-coupled receptor",Hydrolase,Reader,"Primary active transporter",Kinase,"Electrochemical transporter",Protease,"Potassium channels","Cytochrome
 P450 family 3","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)",Bromodomain,"Peptide receptor (family A GPCR)","ATP-binding cassette","Voltage-gated sodium channel","V
oltage-gated calcium channel","Protein Kinase","SLC superfamily of solute carriers","Cytochrome P450 family 1","Cytochrome P450 family 2","Metallo protease","Voltage-gated potassium channel","Cytochro
me P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","Short peptide receptor (family A GPCR)","ABCB subfamily","Atypical protein kinase group","SLC06 neurotransmitter
 transporter family","Chemokine receptor","TK protein kinase group","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Metallo protease MAE clan","Cytochrome P450 3A4
","Nuclear hormone receptor subfamily 1 group F member 3","Acetylcholine receptor","Histamine receptor","Adrenergic receptor","Neuropeptide receptor","Dopamine receptor","Serotonin receptor","Atypical
 protein kinase PIKK family","CC chemokine receptor","Neurokinin receptor","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Cytochrome P450 1A1","Cytochrome P450 2D6","Cytoc
hrome P450 2C19","Metallo protease M34 family","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,Transporters,"Voltage-gated ion channels","Cytochrome P450","Nuclear hormone receptors","G protein-coupled receptors","3.2.1.- Glycosidases","ATP-binding cassette tra
nsporter family","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Catalytic receptors","Potassium channels","CYP3 family","1F. Retinoic acid-related orphans","Acetylcholine receptors (musc
arinic)","CYP2 family: drug metabolising subset","Histamine receptors","Neuropeptide S receptor","ABCB subfamily",Adrenoceptors,"Dopamine receptors","5-Hydroxytryptamine receptors","Voltage-gated sodi
um channels","Voltage-gated calcium channels",Atypical,"SLC6 neurotransmitter transporter family","Chemokine receptors","Tachykinin receptors","Receptor kinases","CYP1 family","Voltage-gated potassium
 channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter subfamily","TK: Tyrosine kinase","FRAP subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyr
osine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{"Muscle contraction",Metabolism,"Neuronal System","Gene expression (Transcription)","Signal Transduction","Cell Cycle","Vesicle-mediated transport","Developmental Biology","DNA Repair",Hemostasis,Dis
ease,"Cellular responses to external stimuli","Cardiac conduction","Metabolism of lipids","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Signaling by GPCR",Mitotic,"Membran
e Trafficking","Biological oxidations","Nervous system development","DNA Double-Strand Break Repair","Platelet activation","signaling and aggregation","Diseases of metabolism","Infectious disease","Ab
acavir transport and metabolism","Potassium Channels","Disorders of transmembrane transporters","Cellular responses to stress","Phase 3 - rapid repolarisation","Biosynthesis of specialized proresolvin
g mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","GPCR ligand binding","Mitotic G1 phase and G1/S transition","trans-Golgi Network 
Vesicle Budding","Phase I - Functionalization of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Platelet Aggregation (Plug Formation)","Disease
s of carbohydrate metabolism","M Phase","Leishmania infection","Abacavir transmembrane transport","Voltage gated Potassium channels","Axon guidance","SLC transporter disorders","HIV Infection","GPCR d
ownstream signalling","Cellular response to hypoxia","Uptake and actions of bacterial toxins","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Transcriptional
 regulation by RUNX3","Class A/1 (Rhodopsin-like receptors)","G1/S Transition","Golgi Associated Vesicle Biogenesis","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombinatio
n (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by MECP2","Glycogen storage diseases","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","L1CAM interactio
ns","NCAM signaling for neurite out-growth","Transcriptional Regulation by TP53","Defective SLC6A2 causes orthostatic intolerance (OI)","HIV Life Cycle","Defective SLC6A3 causes Parkinsonism-dystonia 
infantile (PKDYS)","G alpha (q) signalling events","Host Interactions of HIV factors","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Uptake and function of anthrax toxins"
,"Biosynthesis of maresins","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Amine ligand-binding receptors","Activation of the pre-replicative complex","Fa
tty acids","HDR through Homologous Recombination (HRR)","Regulation of MECP2 expression and activity","Glycogen storage disease type II (GAA)","Mitotic Anaphase","Anti-inflammatory response favouring 
Leishmania parasite infection","Interaction between L1 and Ankyrins","NCAM1 interactions","Regulation of TP53 Activity","Early Phase of HIV Life Cycle","Peptide ligand-binding receptors","Gastrin-CREB
 signalling pathway via PKC and MAPK","The role of Nef in HIV-1 replication and disease pathogenesis",Xenobiotics,"Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Muscari
nic acetylcholine receptors","Histamine receptors","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production",Adrenocepto
rs,"Dopamine receptors","Serotonin receptors","Regulation of TP53 Expression and Degradation","Binding and entry of HIV virion","Tachykinin receptors bind tachykinins","EGFR Transactivation by Gastrin
","Nef and signal transduction","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of N
uclear Envelope (NE) Reformation","Regulation of TP53 Degradation","Metabolism of proteins","Unfolded Protein Response (UPR)","ATF6 (ATF6-alpha) activates chaperones","ATF6 (ATF6-alpha) activates chap
erone genes"}

> <broad_targets>
{HRH1,KCNH1,KCNH2}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{terfenadine,50679-08-8,50679088,Seldane,Ternadin,Triludan,Teldane,Allerplus,Teldanex,Aldaban,Terdin,Terfenadina,"RMI 9918",RMI-9918,RMI9918,MDL-9918,MDL9918,MFCD00079622,CHEMBL17157,MLS000028499,CHEB
I:9453,Cyater,Terfen,NCGC00016064-04,NCGC0001606404,NCGC00016064-06,NCGC0001606406,Terfenadinum,SMR,T1266,1503708,Prestw-138,Terfenadine,TERFENADINE}

> <pdid>
PD000887

> <targets>
{Apoptosis,Caspase,Histamine Receptor,Na+/Ca2+ Exchanger,Potassium Channel}

> <classes>
{H1 antihistamine,nonsedating,Apoptosis,GPCR/G Protein,Immunology/Inflammation,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{5405}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    5.6396    6.0909    0.0000 C   0  0
    4.2776    5.4624    0.0000 C   0  0
    4.1398    3.9679    0.0000 O   0  0
    2.7771    3.3391    0.0000 C   0  0
    1.5521    4.2048    0.0000 O   0  0
    2.6395    1.8472    0.0000 C   0  0
    3.7691    0.8603    0.0000 N   0  0
    3.1796   -0.5190    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 N   0  0
   -2.5242    2.0130    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1476   -0.7184    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
   -1.5000   -5.4558    0.0000 F   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10  6  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 22  9  1  0
 22 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12393

> <plate>
PLATE 019

> <well>
A3

> <supplier_cmpd_name>
Flumazenil

> <ctcr_id>
1295

> <supplier_cmpd_id>
T1240

> <smiles>
CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23

> <pd_targets>
{GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,CYP2C19,GABBR1,ALDH1A1,KMT2A,MEN1,NFO,TSHR,CHRM1,CYP1A2,FFP,RORC}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Membrane receptor","Epigenetic regulator","Transcription factor","Ligand-gated ion channel","Cytochrome P450","Family C G protein-coupled receptor",Oxidoreductase,Reader,Hydrola
se,"Family A G protein-coupled receptor",Transferase,"Nuclear receptor","GABA-A receptor","Cytochrome P450 family 2","Small molecule receptor (family C GPCR)",Bromodomain,"Peptide receptor (family A G
PCR)","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2C","Neurotransmitter receptor (family C GPCR)","Glycohormone 
receptor","Monoamine receptor","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 2C19","GABA-B receptor","Acetylcholine receptor","Cytochrome P450 1A1","Nucle
ar hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Ligand-gated ion channels","Cytochrome P450","G protein-coupled receptors","Nuclear hormone receptors","GABA<sub>A</sub> receptors","CYP2 family: drug metabolising s
ubset","GABA<sub>B</sub> receptors","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","CYP1 family","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Neuronal System",Metabolism,Disease,"Signal Transduction","Gene expression (Transcription)","Transmission across Chemical Synapses","Biological oxidations","Infectious disease","Signaling by GPCR","
RNA Polymerase II Transcription","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Leishmania infection","GPCR ligand binding","Generic Tran
scription Pathway","GABA receptor activation","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Trans
criptional regulation by RUNX3",Xenobiotics,"GABA B receptor activation","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","RUNX3 Regulates Immune R
esponse and Cell Migration","CYP2E1 reactions","Activation of GABAB receptors","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors","Aromatic amines can be N-
hydroxylated or N-dealkylated by CYP1A2","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits"}

> <broad_targets>
{GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ}

> <broad_moa>
{"benzodiazepine receptor antagonist"}

> <synonyms>
{flumazenil,78755-81-4,78755814,Anexate,Flumazepil,Romazicon,Lanexat,Mazicon,"Ro 15-1788","Ro 151788",fumazenil,"Flumazenilum (Latin)","Flumazenilo (Spanish)",Flumazenilo,Flumazenilum,(11C)flumazenil,
"Flumazenil (Ro 15-1788)","Flumazenil (Ro 151788)",Ro-15-1788,Ro151788,UNII-40P7XK9392,UNII40P7XK9392,CH,T1240,S1332,SAM001246763,1505701,Flumazenil,CPD000058450,FUMAZENIL}

> <pdid>
PD000330

> <targets>
{"GABA Receptor"}

> <classes>
{"benzodiazepine antagonist","Neuronal Signaling"}

> <pubchem_cids>
{3373}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 43 47  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.5205   -6.1100    0.0000 S   0  0
   -2.0570   -7.5366    0.0000 C   0  0
   -0.5570   -7.5366    0.0000 C   0  0
   -0.0934   -6.1100    0.0000 C   0  0
   14.1913   -4.1416    0.0000 O   0  0
   14.1887   -2.6416    0.0000 C   0  0
   15.4866   -1.8897    0.0000 O   0  0
   12.8874   -1.8938    0.0000 C   0  0
   12.8873   -0.3938    0.0000 C   0  0
   11.5883    0.3562    0.0000 C   0  0
   11.5883    1.8562    0.0000 C   0  0
   10.2892    2.6061    0.0000 C   0  0
    8.9902    1.8561    0.0000 C   0  0
    8.9902    0.3561    0.0000 C   0  0
   10.2893   -0.3939    0.0000 C   0  0
   10.2893   -1.8939    0.0000 C   0  0
    8.9911   -2.6469    0.0000 C   0  0
    8.9932   -4.1478    0.0000 C   0  0
   10.2949   -4.8934    0.0000 C   0  0
   11.1592   -4.3904    0.0000 O   0  0
   10.3000   -6.3934    0.0000 C   0  0
    9.0036   -7.1478    0.0000 C   0  0
    7.7020   -6.4023    0.0000 C   0  0
    6.4055   -7.1568    0.0000 C   0  0
    5.1039   -6.4113    0.0000 C   0  0
    5.0987   -4.9113    0.0000 C   0  0
    6.3952   -4.1568    0.0000 C   0  0
    7.6968   -4.9024    0.0000 C   0  0
   11.6009   -7.1420    0.0000 C   0  0
   12.8986   -6.3897    0.0000 O   0  0
   11.6039   -8.6420    0.0000 O   0  0
   11.5883   -2.6438    0.0000 C   0  0
   11.5883   -3.6438    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 10  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 28  1  0
 38 33  1  0
 31 39  1  0
 39 40  1  0
 39 41  2  0
 26 42  2  0
 42 18  1  0
 42 43  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12394

> <plate>
PLATE 019

> <well>
A4

> <supplier_cmpd_name>
Pyrantel pamoate

> <ctcr_id>
5309

> <supplier_cmpd_id>
T1259

> <smiles>
CN1CCCN=C1\C=C\c2sccc2.OC(=O)c3cc4ccccc4c(Cc5c(O)c(cc6ccccc56)C(O)=O)c3O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Pyrantel Pamoate Sigmaultra,(S)","pyrantel pamoate",22204-24-6,22204246,"Pyrantel embonate",Antiminth,Combantrin,"Pyrantel (pamoate)","CP-10,423-16","CP10,42316","pyrantel pamoates",UNII-81BK194Z5M,
UNII81BK194Z5M,Embovin,CHEBI:8655,81BK194Z5M,NSC355080,NSC-355080,Pyrante,T1259,1500517,"Pyrantel pamoate","PYRANTEL PAMOATE"}

> <pdid>

> <targets>
{Antibiotic,Parasite}

> <classes>
{anthelmintic,Anti-infection}

> <pubchem_cids>
{5281033}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 48  0  0  1  0            999 V2000
    2.6018   -5.9994    0.0000 C   0  0
    3.9008   -5.2492    0.0000 O   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    6.4939   -0.7411    0.0000 O   0  0
    6.4894    0.7589    0.0000 C   0  0
    5.1993   -2.9963    0.0000 C   0  0
    6.4995   -3.7442    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.3114    2.9665    0.0000 C   0  0
    1.8032    3.1233    0.0000 O   0  0
    2.4133    1.7530    0.0000 C   0  0
    3.8805    1.4410    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -1.2935    3.7495    0.0000 O   0  0
   -1.2883    5.2495    0.0000 C   0  0
    0.0133    5.9950    0.0000 C   0  0
    0.0185    7.4950    0.0000 O   0  0
   -1.2780    8.2495    0.0000 C   0  0
   -1.2728    9.7495    0.0000 C   0  0
   -2.5796    7.5040    0.0000 O   0  0
   -2.5848    6.0040    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -5.1828    6.0129    0.0000 O   0  0
   -3.8915    3.7585    0.0000 C   0  0
   -5.1932    3.0130    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.7124   -4.0030    0.0000 O   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -1.6105   -5.2165    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 12  5  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  1
 15 16  1  0
 16 17  1  0
 13 17  1  6
 17 18  2  0
 14 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 23  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 21  1  0
 32 33  1  0
 19 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 36  2  0
 40 41  1  0
 41 42  2  0
 42 12  1  0
 42 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12395

> <plate>
PLATE 019

> <well>
A5

> <supplier_cmpd_name>
Etoposide

> <ctcr_id>
4351

> <supplier_cmpd_id>
T0132

> <smiles>
COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26

> <pd_targets>
{TOP2A,ALOX15,TOP2B,SLCO1B3,NCOA1,LMP1,NCOA3,BLM,LMNA,GAA,RECQL,PMP22,POLB,GMNN,APEX1,NPSR1,NFO,MTOR,KMT2A,MEN1,RORC}

> <pathway_gtopdb>
{Enzyme,Transporter,"Epigenetic regulator","Unclassified protein","Other nuclear protein","Membrane receptor","Transcription factor",Isomerase,Oxidoreductase,"Electrochemical transporter",Writer,Hydro
lase,"Family A G protein-coupled receptor",Kinase,Reader,"Nuclear receptor","SLC superfamily of solute carriers","Histone acetyltransferase","Peptide receptor (family A GPCR)","Protein Kinase",Bromodo
main,"Nuclear hormone receptor subfamily 1","SLC21/SLCO family of organic anion transporting polypeptides","SRC family","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Nuclea
r hormone receptor subfamily 1 group F","Neuropeptide receptor","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"DNA topoisomerases","Eicosanoid turnover","SLC superfamily of solute carriers","Chromatin modifying enzymes","3.2.1.- Glycosidases","G protein-coupled receptors","Kina
ses (EC 2.7.x.x)","Nuclear hormone receptors",Lipoxygenases,"SLCO family of organic anion transporting polypeptides","2.3.1.48 Histone acetyltransferases (HATs)","Neuropeptide S receptor",Atypical,"1F
. Retinoic acid-related orphans","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Metabolism of proteins","DNA Repair",Disease,"Developmental Biology","Gene expression (Transcription)",Mitotic,"Metabolism of lipids","Post-translational protein modification
","DNA Double-Strand Break Repair","Diseases of metabolism","Nervous system development","Base Excision Repair","Infectious disease","RNA Polymerase II Transcription","Mitotic G1 phase and G1/S transi
tion","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"Metabolism of steroids","Regulation of lipid metabolism by PPARalpha","Homology Directed Repair","M Phase","Diseases of c
arbohydrate metabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Resolution of Abasic Sites (AP sites)","Leishmania infection","Generic Transcription Pathway","G0 and Early G1
","Biosynthesis of DPA-derived SPMs","SUMO E3 ligases SUMOylate target proteins","Bile acid and bile salt metabolism","PPARA activates gene expression","HDR through Homologous Recombination (HRR) or S
ingle Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Glycogen storage diseases","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G1/S Transition","Leishmania 
parasite growth and survival","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX3","Transcription of E2F targets under negative control by DREAM complex","Biosynthesis of DPAn-3 
SPMs","SUMOylation of DNA replication proteins","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Glycogen s
torage disease type II (GAA)","PCNA-Dependent Long Patch Base Excision Repair","Activation of the pre-replicative complex","Anti-inflammatory response favouring Leishmania parasite infection","Regulat
ion of TP53 Activity","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3-derived protectins and resolvins","Synthesis of bile acids and bile salts via 27-hydroxycholesterol",
"Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Presynaptic p
hase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{TOP2A,TOP2B}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{"Vepesid J","Epipodophyllotoxin VP-16213","Epipodophyllotoxin VP16213",VP-16,VP16,NSC141540,"Etopophos (Bristol Meyers)","4'-Demethylepipodophyllotoxin ethylidene-.beta.-D-glucoside","4'Demethylepipo
dophyllotoxin ethylidene.beta.Dglucoside",BSPBio_001067,BSPBio001067,BSPBio-001067,"BSPBio 001067",KBioGR_000407,KBioGR000407,KBioGR-000407,"KBioGR 000407",KBioSS_000407,KBioSS000407,KBioSS-000407,"KB
ioSS 000407",CHEMBL16671,SCHEMBL5020107,BCBcMAP01_000114,BCBcMAP01000114,BCBcMAP01-000114,"BCBcMAP01 000114",KBio2_0004,KBio20004,KBio2-0004,"KBio2 0004",141540,"NSC 141540",Etoposide}

> <pdid>
PD001532

> <targets>
{}

> <classes>
{"Topoisomerase II Inhibitors"}

> <pubchem_cids>
{439525}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    3.8869   -8.2595    0.0000 O   0  5
    5.1873   -7.5117    0.0000 N   0  3
    6.4848   -8.2644    0.0000 O   0  0
    5.1894   -6.0109    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12396

> <plate>
PLATE 019

> <well>
A6

> <supplier_cmpd_name>
Nicorandil

> <ctcr_id>
4345

> <supplier_cmpd_id>
T0075

> <smiles>
[O-][N+](=O)OCCNC(=O)c1cccnc1

> <pd_targets>
{CYP2C19,KMT2A,MEN1,CYP2C9,ALOX15,LEF,KCNJ8,KCNJ11,ABCC9}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Ion channel",Transporter,"Cytochrome P450",Reader,Oxidoreductase,Protease,"Voltage-gated ion channel","Primary active transporter","Cytochrome P450 family 2",Bromodomai
n,"Metallo protease","Potassium channels","ATP-binding cassette","Cytochrome P450 family 2C","Metallo protease MAE clan","Inwardly rectifying potassium channel","ABCC subfamily","Cytochrome P450 2C19"
,"Cytochrome P450 2C9","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,"Ion channels",Transporters,"Cytochrome P450","Eicosanoid turnover","Voltage-gated ion channels","ATP-binding cassette transporter family","CYP2 family: drug metabolising subset",Lipoxygenase
s,"Potassium channels","ABCC subfamily","Inwardly rectifying potassium channels"}

> <pathway_reactome>
{Metabolism,Disease,"Neuronal System","Biological oxidations","Metabolism of lipids","Infectious disease","Potassium Channels","Disorders of transmembrane transporters","Phase I - Functionalization of
 compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and actions of bacterial toxins","Inwardly rectifying K+ channels","ABC transporter disorders","Cytochrome P450 - arrang
ed by substrate type","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","ATP sensitive Potassium channels","Defective ABCC8 can cause hypo- and hyper-glycemias","Defective ABC
C9 causes CMD10","ATFB12 and Cantu syndrome",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{KCNJ11}

> <broad_moa>
{"nitric oxide donor","potassium channel activator"}

> <synonyms>
{NICORANDIL,65141-46-0,65141460,Ikorel,"2-Nicotinamidoethyl nitrate","2Nicotinamidoethyl nitrate",SG-75,SG75,Dancor,Adancor,Sigmart,Nicorandilum,"SG 75","2-(nicotinamido)ethyl nitrate","2(nicotinamido
)ethyl nitrate","N-(2-Hydroxyethyl)nicotinamide nitrate","N(2Hydroxyethyl)nicotinamide nitrate","2-(pyridine-3-carbonylamino)ethyl nitrate","2(pyridine3carbonylamino)ethyl nitrate",N-(2-Hydroxyeth,N(2
Hydroxyeth,T0075,SAM001246701,Prestw-106,Nicorandil,CPD000466365}

> <pdid>
PD000223

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{47528}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 41  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -1.2991    5.2507    0.0000 N   0  0
   -0.0012    6.0029    0.0000 C   0  0
   -0.0036    7.5029    0.0000 C   0  0
   -1.3039    8.2509    0.0000 N   0  0
   -2.6017    7.4988    0.0000 C   0  0
   -2.5993    5.9988    0.0000 C   0  0
   -1.3093    9.7517    0.0000 C   0  0
   -0.0128   10.5060    0.0000 O   0  0
   -2.6114   10.4982    0.0000 C   0  0
   -2.6190   11.9982    0.0000 C   0  0
   -3.9218   12.7416    0.0000 O   0  0
   -5.2171   11.9850    0.0000 C   0  0
   -6.5199   12.7285    0.0000 C   0  0
   -7.8151   11.9719    0.0000 C   0  0
   -7.8075   10.4719    0.0000 C   0  0
   -6.5047    9.7285    0.0000 C   0  0
   -5.2095   10.4851    0.0000 C   0  0
   -3.9067    9.7416    0.0000 O   0  0
    7.6990    5.9961    0.0000 C   0  0
    7.6990    4.4961    0.0000 S   0  0
    7.6990    2.9961    0.0000 O   0  0
    6.3997    3.7465    0.0000 O   0  0
    8.9983    3.7465    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11  5  1  0
 11 12  1  0
 12 13  2  0
 13  3  1  0
 13 14  1  0
 14 15  1  0
  7 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 32 33  1  0
 33 24  1  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 35 38  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12397

> <plate>
PLATE 019

> <well>
A7

> <supplier_cmpd_name>
Doxazosin mesylate

> <ctcr_id>
3185

> <supplier_cmpd_id>
T0101

> <smiles>
COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4.C[S](O)(=O)=O

> <pd_targets>
{GLA,GAA,MAPT,KMT2A,MEN1,ALDH1A1,HPGD,LMNA,KDM4E,FTL,POLB,PMP22,RORC,FFP,BLM,GMNN,NS1,HLA-A,ADRA1D,ADRA1A,ADRA1B,KCNH2,ADRA2C,HTR4,ADRA2A,MMP1,ABCC4,ABCB11,ADRB2,HTR2B,SLC6A4,MTOR,HTR2C,SLC6A3,KCNH6,K
CNH7}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Other nuclear protein","Unclassified protein","Transcription factor","Surface antigen","Membrane receptor","Ion channel",Transporter,Hydrolase
,Reader,Oxidoreductase,Eraser,"Nuclear receptor",Transferase,"Family A G protein-coupled receptor","Voltage-gated ion channel",Protease,"Primary active transporter","Electrochemical transporter",Kinas
e,Bromodomain,"Lysine demethylase","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Potassium channels","Metallo protease","ATP-binding cassette","SLC superfamily of s
olute carriers","Protein Kinase","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","Voltage-gated potassium channel","Metallo protease MAM clan","ABCC sub
family","ABCB subfamily","SLC06 neurotransmitter transporter family","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","Adrenergic receptor","Serotonin receptor",
"Metallo protease M10A subfamily","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels",Transporters,"3.2.1.- Glycosidases","Eicosanoid turnover","Chromatin modifying enzymes","Nuclear hormone receptors","G protein-coupled receptors","Voltage-gated ion c
hannels","Peptidases and proteinases","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)","Prostaglandin synthases","1.14.11.- Histone demethylases","
1F. Retinoic acid-related orphans",Adrenoceptors,"Potassium channels","5-Hydroxytryptamine receptors","MA: Metallo (M) Peptidases","ABCC subfamily","ABCB subfamily","SLC6 neurotransmitter transporter 
family",Atypical,"2.1.1.43 Histone methyltransferases (HMTs)","Voltage-gated potassium channels","M10: Matrix metallopeptidase","Monoamine transporter subfamily","Phosphatidyl inositol 3' kinase-relat
ed kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Neuronal System","Cell Cycle","Vesicle-mediated transport","DNA Repair","Developmental Biology","Gene expression (Transcription)","Immune System","Signal Transduction","Muscle con
traction",Hemostasis,"Metabolism of lipids","Diseases of metabolism","Transmission across Chemical Synapses","Biological oxidations",Mitotic,"Membrane Trafficking","Base Excision Repair","Nervous syst
em development","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Adaptive Immune System","Signaling by GPCR","Cardiac conduction","Infectious disease","Cytokine Signaling in Immune 
system","Platelet activation","signaling and aggregation","Disorders of transmembrane transporters","Sphingolipid metabolism","Diseases of carbohydrate metabolism","Neurotransmitter receptors and post
synaptic signal transmission","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","trans-Golgi Network Vesicle Budding","Resolution of Abas
ic Sites (AP sites)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Generic Transcription Pathway","Homology Directed Repair","Mitotic G1 phase and G1/S transition","Class I MHC med
iated antigen processing & presentation","GPCR ligand binding","Phase 3 - rapid repolarisation","Leishmania infection","Signaling by Interleukins","Response to elevated platelet cytosolic Ca2+","Metab
olism of steroids","Neurotransmitter clearance","SLC transporter disorders","Glycosphingolipid metabolism","Glycogen storage diseases","Activation of NMDA receptors and postsynaptic events","Ethanol o
xidation","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Golgi Associated Vesicle Biogenesis","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Tran
scriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G1/S Transition","Antigen processing-Cross presentation","Class A/1 (Rhodopsin-like rece
ptors)","Leishmania parasite growth and survival","Interleukin-4 and Interleukin-13 signaling","Platelet degranulation","Bile acid and bile salt metabolism","Serotonin clearance from the synaptic clef
t","Transcriptional Regulation by TP53","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Transcriptional regulation by RUNX1","Glycogen storage disease type II (GAA)","Post NMDA rece
ptor activation events","Biosynthesis of D-series resolvins","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","RUNX3 Regulates Immune Response and Cell Migration","HDR through Homol
ogous Recombination (HRR)","Activation of the pre-replicative complex","Endosomal/Vacuolar pathway","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection
","Synthesis of bile acids and bile salts","Regulation of TP53 Activity","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Activation of AMPK downstream of NMDAR
s","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7
alpha-hydroxycholesterol","Serotonin receptors","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and stran
d exchange","Regulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{CHEBI:4709,EU-0100474,EU0100474,"EU 0100474",FT-0625592,FT0625592,"FT 0625592",SW197099-3,SW1970993,"SW197099 3","Doxazosin mesylate",77883-43-3,77883433,"77883 43 3",Cardura,Carduran,Cardular,"Cardu
ra XL",Cardenalin,Dedralen,Progandol,Tensiobas,"Doxazosin (mesylate)","Doxazosin mesilate","UK 33274 mesylate",MLS000028455,Do,T0101,S1324,1505976,Prestw-858,"Doxazosin Mesylate","DOXAZOSIN MESYLATE"}

> <pdid>
PD003016

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"Neuronal Signaling",antihypertensive}

> <pubchem_cids>
{25137856,45039113,62978}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 39  0  0  0  0            999 V2000
    7.5844   -1.4920    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
   11.3852    1.8319    0.0000 O   0  0
   11.3852    0.3319    0.0000 C   0  0
   10.0859   -0.4177    0.0000 O   0  0
   12.6852   -0.4181    0.0000 C   0  0
   13.9852    0.3319    0.0000 C   0  0
   15.2851   -0.4181    0.0000 C   0  0
   16.5844    0.3315    0.0000 O   0  0
   15.2851   -1.9181    0.0000 O   0  0
   20.3851    1.8319    0.0000 O   0  0
   20.3851    0.3319    0.0000 C   0  0
   19.0859   -0.4177    0.0000 O   0  0
   21.6851   -0.4181    0.0000 C   0  0
   22.9851    0.3319    0.0000 C   0  0
   24.2851   -0.4181    0.0000 C   0  0
   25.5844    0.3315    0.0000 O   0  0
   24.2851   -1.9181    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  6  1  0
 20 15  1  0
  5 21  1  0
 21 22  1  0
 22  2  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  3
 27 28  1  0
 28 29  2  0
 28 30  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  3
 35 36  1  0
 36 37  2  0
 36 38  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12398

> <plate>
PLATE 019

> <well>
A8

> <supplier_cmpd_name>
Azatadine Maleate

> <ctcr_id>
6978

> <supplier_cmpd_id>
T0236

> <smiles>
CN1CCC(=C2c3ccccc3CCc4cccnc24)CC1.OC(=O)C=CC(=O)O.OC(=O)C=CC(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1445763-73-4,1445763734,HMS3604D19,HMS3652A11,AK546698,SW219888-1,SW2198881,Z1625061700,T0236,S3186,"Azatadine Maleate","Azatadine dimaleate"}

> <pdid>

> <targets>
{"Histamine Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{66273}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 56 57  0  0  0  0            999 V2000
    6.4956    5.2510    0.0000 C   0  0
    6.4951    3.7510    0.0000 O   0  0
    5.1956    3.0002    0.0000 C   0  0
    3.8965    3.7502    0.0000 O   0  0
    5.1951    1.4994    0.0000 N   0  0
    3.8956    0.7486    0.0000 C   0  0
    3.8951   -0.7523    0.0000 C   0  0
    5.1942   -1.5023    0.0000 O   0  0
    2.5956   -1.5031    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2934   -3.7508    0.0000 C   0  0
   -0.0049   -2.9977    0.0000 C   0  0
   -1.3070   -3.7424    0.0000 C   0  0
   -2.6029   -2.9870    0.0000 C   0  0
   -2.5967   -1.4870    0.0000 C   0  0
   -1.2946   -0.7424    0.0000 C   0  0
    0.0013   -1.4977    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2611    0.0000 C   0  0
    3.8826   -9.7611    0.0000 C   0  0
    2.5814  -10.5075    0.0000 C   0  0
    1.2845   -9.7538    0.0000 C   0  0
    1.2888   -8.2538    0.0000 C   0  0
    2.5899   -7.5075    0.0000 C   0  0
   -0.0173  -10.5005    0.0000 C   0  0
   -0.0240  -12.0005    0.0000 C   0  0
   -1.3263  -12.7448    0.0000 C   0  0
   -2.6220  -11.9891    0.0000 C   0  0
   -2.6154  -10.4891    0.0000 C   0  0
   -1.3131   -9.7448    0.0000 N   0  0
    6.4920   -5.2654    0.0000 N   0  0
    7.7894   -6.0199    0.0000 C   0  0
    7.7842   -7.5199    0.0000 O   0  0
    9.0920   -5.2745    0.0000 C   0  0
   10.3893   -6.0290    0.0000 N   0  0
   11.6919   -5.2835    0.0000 C   0  0
   11.6972   -3.7835    0.0000 O   0  0
   12.9893   -6.0380    0.0000 O   0  0
   14.2912   -5.2930    0.0000 C   0  0
    9.1003   -3.7737    0.0000 C   0  0
   10.4030   -3.0300    0.0000 C   0  0
    9.1079   -2.2737    0.0000 C   0  0
    7.8052   -3.0169    0.0000 C   0  0
    2.5974    1.5017    0.0000 C   0  0
    2.5995    3.0017    0.0000 C   0  0
    1.2995    2.2537    0.0000 C   0  0
    1.2970    0.7539    0.0000 C   0  0
   18.0919   -4.1317    0.0000 O   0  0
   18.0919   -5.6317    0.0000 S   0  0
   16.7926   -6.3812    0.0000 O   0  0
   19.3912   -6.3812    0.0000 O   0  0
   18.0919   -7.1317    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 10 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 26 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 21 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 38 44  1  0
 44 45  1  0
 44 46  1  0
 44 47  1  0
  6 48  1  0
 48 49  1  0
 48 50  1  0
 48 51  1  0
 52 53  1  0
 53 54  2  0
 53 55  2  0
 53 56  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12399

> <plate>
PLATE 019

> <well>
A9

> <supplier_cmpd_name>
Atazanavir sulfate

> <ctcr_id>
10

> <supplier_cmpd_id>
T0100

> <smiles>
COC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc2ccc(cc2)c3ccccn3)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C.OS(=O)(=O)O

> <pd_targets>
{PROTEASE,"HIV-1 PROTEASE",UGT1A1,POL,SLCO2B1,SLCO1B3,SLCO1B1,ABCB1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,Protease,Transferase,Hydrolase,"Electrochemical transporter","Primary active transporter","Cysteine protease","Aspartic protease","SLC superfamily of solute 
carriers","ATP-binding cassette","Cysteine protease PAC clan","Aspartic protease AA clan","SLC21/SLCO family of organic anion transporting polypeptides","ABCB subfamily","Cysteine protease C3A subfami
ly","Aspartic protease A2A subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"UDP glucuronosyltransferases (UGT)","SLC superfamily of solute carriers","ATP-binding cassette transporter family","SLCO family of organic anion transporting polypeptides","ABCB
 subfamily"}

> <pathway_reactome>
{Disease,"Transport of small molecules",Metabolism,"Diseases of metabolism","SLC-mediated transmembrane transport","Metabolism of lipids","Abacavir transport and metabolism","Metabolic disorders of bi
ological oxidation enzymes","Transport of vitamins",nucleosides,"and related molecules","Metabolism of steroids","Abacavir transmembrane transport","Defective UGT1A1 causes hyperbilirubinemia","Transp
ort of organic anions","Bile acid and bile salt metabolism","Recycling of bile acids and salts"}

> <broad_targets>
{}

> <broad_moa>
{"HIV protease inhibitor"}

> <synonyms>
{"BMS-232632 sulfate","BMS232632 sulfate",HMS3654J10,AK-97253,AK97253,FT-0662312,FT0662312,T0100,S1457,"Atazanavir sulfate","Atazanavir Sulfate"}

> <pdid>
PD009825

> <targets>
{"HIV Protease"}

> <classes>
{Proteases}

> <pubchem_cids>
{76034172}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    6.3982    3.5181    0.0000 Na  0  3
    3.8976   -0.7553    0.0000 O   0  5
    2.5973   -1.5031    0.0000 N   0  3
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.8211    4.6570    0.0000 C   0  0
   -6.3142    4.8094    0.0000 N   0  0
   -6.9296    6.1782    0.0000 N   0  0
   -6.1728    7.4585    0.0000 C   0  0
   -7.1783    8.5716    0.0000 C   0  0
   -6.8688   10.0393    0.0000 O   0  0
   -8.5476    7.9593    0.0000 N   0  5
   -8.3884    6.4677    0.0000 C   0  0
   -9.4955    5.4557    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  2  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
M  CHG  4   1   1   2  -1   3   1  22  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12400

> <plate>
PLATE 019

> <well>
A10

> <supplier_cmpd_name>
Dantrolene sodium salt

> <ctcr_id>
2658

> <supplier_cmpd_id>
T0077

> <smiles>
[Na+].[O-][N+](=O)c1ccc(cc1)c2oc(cc2)\C=N\N3CC(=O)[N-]C3=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Dantrolene sodium salt","DANTROLENE SODIUM",Dantrium,"Dantrolene, Sodium Salt",14663-23-1,14663231,"Dantrolene (sodium)",UNII-28F0G1E0VF,UNII28F0G1E0VF,"Dantrolene Sodium (anhydrous)","Dantrolene so
dium anhydrous",1-((5-(p-Nitrophenyl)furfurylidene)amino)hy,1((5(pNitrophenyl)furfurylidene)amino)hy,T4054,T0077,1503209,Prestw-291,"Dantrolene sodium hemiheptahydrate"}

> <pdid>
PD001049

> <targets>
{}

> <classes>
{"muscle relaxant (skeletal)"}

> <pubchem_cids>
{6604100,13271066,73896913}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1884    2.6408    0.0000 C   0  0
   -2.2738    3.8234    0.0000 C   0  0
   -2.8433    5.2111    0.0000 C   0  0
   -4.3298    5.4117    0.0000 N   0  0
   -4.9025    6.7990    0.0000 C   0  0
   -6.3901    6.9976    0.0000 C   0  0
   -6.9628    8.3849    0.0000 C   0  0
   -8.4505    8.5835    0.0000 N   0  0
   -9.4613    7.4925    0.0000 C   0  0
   -9.1791    6.0193    0.0000 O   0  0
  -10.8152    8.1382    0.0000 N   0  0
  -10.6194    9.6245    0.0000 C   0  0
  -11.5936   10.7650    0.0000 C   0  0
  -11.0930   12.1790    0.0000 C   0  0
   -9.6182   12.4525    0.0000 C   0  0
   -8.6439   11.3120    0.0000 C   0  0
   -9.1445    9.8980    0.0000 C   0  0
   -5.2468    4.2247    0.0000 C   0  0
   -4.6773    2.8370    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 14  1  0
 23 18  1  0
 10 24  1  0
 24 25  1  0
 25  7  1  0
  6 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29  5  1  0
 29 30  2  0
 30  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12401

> <plate>
PLATE 019

> <well>
A11

> <supplier_cmpd_name>
Domperidone

> <ctcr_id>
5595

> <supplier_cmpd_id>
T0082

> <smiles>
Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1

> <pd_targets>
{DRD2,MAPK1,CYP3A4,CYP1A2,KCNH2,HIF1A,CHRM1,DRD3,CYP2D6,ADRA1A,GLA,ADRA1B,KMT2A,MEN1,AOX1,RXRA,LMNA,NFKB1,GMNN,PMP22,HTR2A,SLC47A2,MTOR,ADRA1D,ADRA2A,OPRK1,HTR2B,SLC22A2,ADRA2C,SLC6A4,SLC47A1,HRH1,OPR
M1,ADRA2B,SLC6A2,HTR2C}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Ion channel","Transcription factor","Epigenetic regulator","Other nuclear protein","Other cytosolic protein","Unclassified protein",Transporter,"Family A G protein-coupled
 receptor",Kinase,"Cytochrome P450","Voltage-gated ion channel",Hydrolase,Reader,Oxidoreductase,"Nuclear receptor","Electrochemical transporter","Small molecule receptor (family A GPCR)","Protein Kina
se","Cytochrome P450 family 3","Cytochrome P450 family 1","Potassium channels","Cytochrome P450 family 2",Bromodomain,"Nuclear hormone receptor subfamily 2","SLC superfamily of solute carriers","Pepti
de receptor (family A GPCR)","Monoamine receptor","CMGC protein kinase group","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Voltage-gated potassium channel","Cytochrome P450 family 2D","Nuc
lear hormone receptor subfamily 2 group B","SLC47 family of multidrug and toxin extrusion transporters","Atypical protein kinase group","Short peptide receptor (family A GPCR)","SLC22 family of organi
c cation and anion transporters","SLC06 neurotransmitter transporter family","Dopamine receptor","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Cytochrome P450 1A1","Acetylcholine receptor",
"Cytochrome P450 2D6","Adrenergic receptor","Nuclear hormone receptor subfamily 2 group B member 1","Serotonin receptor","Atypical protein kinase PIKK family","Opioid receptor","Histamine receptor","C
MGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Voltage-gated ion channels","Nuclear hormone receptors","SLC superfamily of solut
e carriers","Dopamine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","CYP1 family","Potassium channels","Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising
 subset",Adrenoceptors,"2B. Retinoid X receptors","5-Hydroxytryptamine receptors","SLC47 family of multidrug and toxin extrusion transporters",Atypical,"Opioid receptors","SLC22 family of organic cati
on and anion transporters","SLC6 neurotransmitter transporter family","Histamine receptors","Mitogen-activated protein kinases (MAP kinases)","Voltage-gated potassium channels","Phosphatidyl inositol 
3' kinase-related kinases (PIKK) family","Organic cation transporters (OCT)","Monoamine transporter subfamily","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Muscle contraction","Cellular responses to external stimuli","Cell Cycle","Developmental Biology","Transport of small molecules","Gene expres
sion (Transcription)","Neuronal System","Signaling by GPCR","Innate Immune System","Metabolism of lipids","Biological oxidations","Infectious disease","Cardiac conduction","Cellular responses to stres
s","Metabolism of vitamins and cofactors",Mitotic,"Cytokine Signaling in Immune system","Nervous system development","SLC-mediated transmembrane transport","RNA Polymerase II Transcription","Transmiss
ion across Chemical Synapses","Disorders of transmembrane transporters","GPCR ligand binding","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Funct
ionalization of compounds","Leishmania infection","Phase 3 - rapid repolarisation","Cellular response to hypoxia","Sphingolipid metabolism","Metabolism of water-soluble vitamins and cofactors","Metabo
lism of steroids","M Phase","Signaling by Interleukins","Mitotic G1 phase and G1/S transition","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Transport of bile salts and organic aci
ds","metal ions and amine compounds","Generic Transcription Pathway","Neurotransmitter clearance","GPCR downstream signalling","SLC transporter disorders","Class A/1 (Rhodopsin-like receptors)","Toll 
Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of H
ypoxia-inducible Factor Alpha","Glycosphingolipid metabolism","Vitamins B6 activation to pyridoxal phosphate","Bile acid and bile salt metabolism","Mitotic Metaphase and Anaphase","Interleukin-1 famil
y signaling","G1/S Transition","Transcriptional Regulation by TP53","Transcriptional Regulation by MECP2","Organic cation/anion/zwitterion transport","Serotonin clearance from the synaptic cleft","G a
lpha (i) signalling events","Defective SLC6A2 causes orthostatic intolerance (OI)","Amine ligand-binding receptors","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins",Xenobiotics,
"Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts","Mitotic Anaphase","Interleukin-1 signaling","Activation of the pre-replicative complex","
Regulation of TP53 Activity","MECP2 regulates neuronal receptors and channels","Organic cation transport","Opioid Signalling","Dopamine receptors","MAP kinase activation","Biosynthesis of maresin-like
 SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors","CYP2E1 reactions",Adrenoceptor
s,"Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Serotonin receptors","Regulation of TP53 Expressio
n and Degradation","Histamine receptors","G-protein activation","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation
","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{DRD2,DRD3}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{RESTW34,domperidone,57808-66-9,57808669,Motilium,Nauzelin,Domperidonum,Domperidona,R-33812,R33812,"R 33,812",NSC299589,"Domperidone (Motilium)",UNII-5587267Z69,UNII5587267Z69,"KW 5338",MLS000069343,C
HEMBL219916,CHEBI:31515,MFCD00069256,NSC-299589,Motinorm,Costi,DSSTox_CID_251,DSSToxCID251,DSSTox-CID-251,"DSSTox CID 251",T0082,S2461,2300212,Prestw-340,Domperidone,Domperidone,DOMPERIDONE}

> <pdid>
PD000066

> <targets>
{"Dopamine Receptor"}

> <classes>
{"dopamine antagonist",antiemetic,"Neuronal Signaling"}

> <pubchem_cids>
{3151}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    5.9922   -8.5946    0.0000 C   0  0
    4.4967   -8.4792    0.0000 N   0  0
    3.8490   -7.1253    0.0000 C   0  0
    4.6946   -5.8864    0.0000 C   0  0
    4.0445   -4.5346    0.0000 C   0  0
    2.5536   -4.4230    0.0000 N   0  0
    1.7031   -5.6606    0.0000 C   0  0
    2.3532   -7.0124    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    6.3506   -2.2538    0.0000 C   0  0
    7.3506   -3.3718    0.0000 C   0  0
    6.8824   -4.7969    0.0000 C   0  0
    7.8825   -5.9149    0.0000 F   0  0
    5.4142   -5.1039    0.0000 C   0  0
    4.4141   -3.9859    0.0000 C   0  0
    3.6488   -9.7176    0.0000 C   0  0
    4.2942  -11.0717    0.0000 N   0  0
    3.4443  -12.3076    0.0000 C   0  0
    1.9490  -12.1896    0.0000 C   0  0
    1.3035  -10.8356    0.0000 C   0  0
   -0.1918  -10.7175    0.0000 O   0  0
    2.1534   -9.5996    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17  9  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
  2 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12402

> <plate>
PLATE 019

> <well>
B2

> <supplier_cmpd_name>
Mizolastine

> <ctcr_id>
3769

> <supplier_cmpd_id>
T0118

> <smiles>
CN(C1CCN(CC1)c2nc3ccccc3n2Cc4ccc(F)cc4)c5nccc(O)n5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Mizolastine,108612-45-9,108612459,Mizollen,Zolistan,"SL 85.0324",UNII-244O1F90NA,UNII244O1F90NA,Mistamine,"Mizolastine (Mizollen)",MKC-431,MKC431,CHEMBL94454,Mistalin,244O1F90NA,NCGC00181013-01,NCGC0
018101301,Mizolastina,Mizolastinum,Mizolen,Zolim,DSSTox_CID_26801,DSSToxCID26801,DSSTox-CID-26801,"DSSTox CID 26801",DSSTox_RID_81916,DSSToxRID81916,DSSTox-RID-81916,"DSSTox RID 81916",DSSTox_G,DSSTox
G,DSSTox-G,"DSSTox G",Prestw-1506}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{65906}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    2.6060   -2.9986    0.0000 C   0  0
    3.9075   -3.7444    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15  6  1  0
 15 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12403

> <plate>
PLATE 019

> <well>
B3

> <supplier_cmpd_name>
Trapidil

> <ctcr_id>
3751

> <supplier_cmpd_id>
T0080

> <smiles>
CCN(CC)c1cc(C)nc2ncnn12

> <pd_targets>
{MAPK1,LMNA,CYP1A2,PDGFRB,PDE10A,PDE11A,PDE1A,PDE1B,PDE1C,PDE2A,PDE3A,PDE3B,PDE4A,PDE4B,PDE4C,PDE4D,PDE5A,PDE6A,PDE6B,PDE6C,PDE7A,PDE7B,PDE8A,PDE8B,PDE9A}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 1","CMGC protein kinase group","Cytochrome P450 family 1A","TK protein kinase group","CMGC protein kin
ase MAPK family","Cytochrome P450 1A1","Tyrosine protein kinase PDGFR family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Cytochrome P450","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","Receptor kinases","Mitogen-activated protein kinases (M
AP kinases)","TK: Tyrosine kinase","ERK subfamily","Receptor tyrosine kinases (RTKs)","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Immune System","Cell Cycle",Metabolism,"Signal Transduction","Innate Immune System",Mitotic,"Biological oxidations","Intracellular signaling by second messengers","Toll-like Receptor Cascades","M Ph
ase","Phase I - Functionalization of compounds","PIP3 activates AKT signaling","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Ne
gative regulation of the PI3K/AKT network","MyD88 cascade initiated on plasma membrane","Mitotic Anaphase",Xenobiotics,PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MAP kinase activation","Nuclear
 Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","
ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PDGFRA}

> <broad_moa>
{"PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{trapidil,15421-84-8,15421848,Rocornal,Trapymin,Avantrin,Trapymine,"N,N-diethyl-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidin-7-amine","N,Ndiethyl5methyl(1,2,4)triazolo(1,5a)pyrimidin7amine","AR 12008",UNI
I-EYG5Y6355E,UNIIEYG5Y6355E,AR-12008,AR12008,"(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N,N-diethyl-5-methyl-","(1,2,4)Triazolo(1,5a)pyrimidin7amine, N,Ndiethyl5methyl",7-Diethylamino-5-methyl-,7Diethy
lamino5methyl,T0080,Prestw-1012,Trapidil}

> <pdid>
PD008972

> <targets>
{PDGFR}

> <classes>
{}

> <pubchem_cids>
{5531}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
    4.8170   -4.7955    0.0000 C   0  0
    3.3334   -4.5740    0.0000 O   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 C   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 N   0  0
    0.0000    3.2286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.8100   -0.4996    0.0000 C   0  0
   -3.2620   -0.8758    0.0000 C   0  0
   -3.6623   -2.3214    0.0000 C   0  0
   -5.1144   -2.6975    0.0000 O   0  0
   -2.6105   -3.3908    0.0000 C   0  0
   -1.1558   -3.0222    0.0000 C   0  0
    0.0836   -3.8671    0.0000 O   0  0
    1.2990   -2.9545    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 12  1  0
 18 19  1  0
 19 20  1  0
 20  3  1  0
 20 21  2  0
 21  6  1  0
 21 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12404

> <plate>
PLATE 019

> <well>
B4

> <supplier_cmpd_name>
Galanthamine HBr

> <ctcr_id>
4336

> <supplier_cmpd_id>
T0086

> <smiles>
COc1ccc2CN(C)CCC34C=CC(O)CC3Oc1c24

> <pd_targets>
{ACHE,BCHE,ALDH1A1,LMNA,CHRNA7}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Ion channel",Hydrolase,Oxidoreductase,"Ligand-gated ion channel","Nicotinic acetylcholine receptor","Nicotinic acetylcholine receptor alpha subunit"}

> <pathway_chembl>
{Enzymes,"Ion channels","Acetylcholine turnover","Ligand-gated ion channels","Nicotinic acetylcholine receptors"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Neuronal System","Metabolism of lipids","Biological oxidations",Mitotic,"Transmission across Chemical Synapses","Phospholipid metabolism","Phase I - Functionalization of comp
ounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Glycerophospholipid biosynthesis","Ethanol oxidation","Mitotic Metaphase and Anaphase","Acetylcholine binding and do
wnstream events","Synthesis of PC","Mitotic Anaphase","Postsynaptic nicotinic acetylcholine receptors","Nuclear Envelope (NE) Reassembly","Highly calcium permeable postsynaptic nicotinic acetylcholine
 receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ACHE,BCHE,CHRNA1,CHRNA10,CHRNA2,CHRNA3,CHRNA4,CHRNA5,CHRNA6,CHRNA7,CHRNA9,CHRNB1,CHRNB2,CHRNB3,CHRNB4,CHRND,CHRNE,CHRNG}

> <broad_moa>
{"acetylcholinesterase inhibitor"}

> <synonyms>
{Epigalanthamin,MLS000766281,LSM-1597,LSM1597,NSC100058,Epi-Galantamine,EpiGalantamine,epigalanthamine,Ent-Galantamine,EntGalantamine,"Galanthamine #",Dihydrogalantamine,NSC-100058,"Galanthamine,(3.al
pha.-","Galanthamine,(3.alpha.","Galantamine; HSDB 7361",Oprea1_097473,Oprea1097473,Oprea1-097473,"Oprea1 097473",Oprea1_098077,Oprea1098077,Oprea1-098077,"Oprea1 098077",SCHEMBL220427,T0086,"NSC 1000
58","Galanthamine HBr",Jilkon}

> <pdid>
PD001452

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3449}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 15  0  0  0  0            999 V2000
    8.9990   -0.7508    0.0000 O   0  0
    5.1983   -3.0012    0.0000 C   0  0
    5.1988   -1.5012    0.0000 C   0  0
    6.4983   -0.7520    0.0000 O   0  0
    3.8990   -0.7508    0.0000 N   0  0
    3.8995    0.7492    0.0000 Na  0  0
    2.5988   -1.5004    0.0000 S   0  0
    2.5983   -3.0004    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12405

> <plate>
PLATE 019

> <well>
B5

> <supplier_cmpd_name>
Sulfacetamide sodium salt hydrate

> <ctcr_id>
1579

> <supplier_cmpd_id>
T0087

> <smiles>
O.CC(=O)N([Na])[S](=O)(=O)c1ccc(N)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{6209-17-2,6209172,"Sulfacetamide sodium monohydrate","Sulfacetamide sodium salt hydrate","Sulfacetamide sodic hydrate",UNII-4NRT660KJQ,UNII4NRT660KJQ,"sulfacetamide sodium hydrate","Sulfacetamide sod
ium (USP)","Isopto cetamide","Sulfair Forte",sodi,Prestw-14}

> <pdid>
PD010449

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6419954,42615202,23675679}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 62 66  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   11.5957   -1.5000    0.0000 C   0  0
   10.2966   -0.7500    0.0000 C   0  0
   10.2966    0.7500    0.0000 C   0  0
    8.9976    1.5000    0.0000 C   0  0
    7.6985    0.7500    0.0000 C   0  0
    7.6985   -0.7500    0.0000 C   0  0
    8.9976   -1.5000    0.0000 C   0  0
    6.3988    1.5004    0.0000 S   0  0
    5.1000    0.7500    0.0000 O   0  0
    6.3978    3.0004    0.0000 O   0  0
    5.0994    2.2498    0.0000 O   0  0
   38.9032    2.6332    0.0000 C   0  0
   38.2885    1.2649    0.0000 S   0  0
   39.1665    0.0487    0.0000 O   0  0
   39.7808    1.4169    0.0000 O   0  0
   36.7953    1.1135    0.0000 C   0  0
   35.9168    2.3304    0.0000 C   0  0
   34.4237    2.1789    0.0000 N   0  0
   33.5452    3.3958    0.0000 C   0  0
   32.0546    3.2447    0.0000 C   0  0
   31.0526    4.3610    0.0000 O   0  0
   29.7002    3.7421    0.0000 C   0  0
   29.8358    2.2610    0.0000 C   0  0
   31.3025    1.9468    0.0000 C   0  0
   28.4006    4.4925    0.0000 C   0  0
   28.4005    5.9925    0.0000 C   0  0
   27.1015    6.7425    0.0000 C   0  0
   25.8025    5.9924    0.0000 C   0  0
   24.5034    6.7424    0.0000 N   0  0
   23.2044    5.9924    0.0000 C   0  0
   23.2044    4.4924    0.0000 N   0  0
   24.5034    3.7424    0.0000 C   0  0
   24.5004    2.2416    0.0000 N   0  0
   23.1995    1.4930    0.0000 C   0  0
   23.1943   -0.0070    0.0000 C   0  0
   21.8927   -0.7525    0.0000 C   0  0
   20.5962    0.0020    0.0000 C   0  0
   19.2954   -0.7466    0.0000 O   0  0
   19.2924   -2.2474    0.0000 C   0  0
   17.9916   -2.9960    0.0000 C   0  0
   17.9863   -4.4961    0.0000 C   0  0
   16.6847   -5.2416    0.0000 C   0  0
   15.3883   -4.4871    0.0000 C   0  0
   15.3934   -2.9872    0.0000 C   0  0
   14.0970   -2.2327    0.0000 F   0  0
   16.6950   -2.2416    0.0000 C   0  0
   20.6014    1.5020    0.0000 C   0  0
   19.3050    2.2565    0.0000 Cl  0  0
   21.9030    2.2475    0.0000 C   0  0
   25.8025    4.4924    0.0000 C   0  0
   27.1015    3.7424    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  8 10  2  0
  8 11  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 31  2  0
 33 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  1  0
 55 57  2  0
 57 51  1  0
 48 58  1  0
 58 59  1  0
 58 60  2  0
 60 45  1  0
 43 61  1  0
 61 39  1  0
 61 62  2  0
 62 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12406

> <plate>
PLATE 019

> <well>
B6

> <supplier_cmpd_name>
Lapatinib

> <ctcr_id>
2541

> <supplier_cmpd_id>
T0078

> <smiles>
Cc1ccc(cc1)[S](O)(=O)=O.Cc2ccc(cc2)[S](O)(=O)=O.C[S](=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4

> <pd_targets>
{AURKB,RET,ERBB2,EGFR,ABL1,ABCB11,PDGFRB,ERBB3,KCNH2,CYP3A5,CDK2,INSR,PIK3C2B,TUBA1A,SLK,KMT2A,MEN1,PI4KB,MAP2K5,STK10,MAP2K7,RIPK2,CYP3A4,PIK3C2G,ERBB4}

> <pathway_gtopdb>
{Enzyme,Transporter,"Ion channel","Structural protein","Epigenetic regulator",Kinase,"Primary active transporter","Voltage-gated ion channel","Cytochrome P450",Transferase,Reader,"Protein Kinase","ATP
-binding cassette","Potassium channels","Cytochrome P450 family 3",Bromodomain,"Other protein kinase group","TK protein kinase group","ABCB subfamily","Voltage-gated potassium channel","Cytochrome P45
0 family 3A","CMGC protein kinase group","STE protein kinase group","TKL protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase EGFR fami
ly","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","Cytochrome P450 3A5","CMGC protein kinase CDK family","Tyrosine protein kinase InsR family","STE protein kinase STE20 f
amily","STE protein kinase STE7 family","TKL protein kinase RIPK family","Cytochrome P450 3A4","CMGC protein kinase CDC2 subfamily","STE protein kinase SLK subfamily"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"Other protein targets","Catalytic receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x
.x)",Tubulins,"Receptor kinases","ABCB subfamily","Potassium channels","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","STE: Homologs of yeast Sterile 7","Steri
le 11","Sterile 20 kinases","Other protein kinases","TK: Tyrosine kinase","Voltage-gated potassium channels","Cyclin-dependent kinase (CDK) family","Phosphatidylinositol-4-phosphate 3-kinase family","
STE20 family","1-phosphatidylinositol 4-kinase family","STE7 family","TKL: Tyrosine kinase-like","Aurora kinase (Aur) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)"
,"CDK1 subfamily","SLK subfamily","Receptor interacting protein kinase (RIPK) family","Type XIV RTKs: RET","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Type III RTKs: PD
GFR",CSFR,Kit,"FLT3 receptor family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology","Signal Transduction",Disease,Metabolism,"Muscle contraction","Gene expression (Transcription)","Immune System","Neuronal System",Mitotic,"Nervous system developm
ent","Signaling by GPCR","Infectious disease","Metabolism of lipids","Intracellular signaling by second messengers","Cardiac conduction","Biological oxidations","RNA Polymerase II Transcription","Sign
aling by Receptor Tyrosine Kinases","Innate Immune System","Transmission across Chemical Synapses","M Phase","Axon guidance","GPCR downstream signalling","Leishmania infection","Metabolism of steroids
","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation","Phase I - Functionalization of compounds","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G2-G2/M phases","Signali
ng by NTRKs","Neutrophil degranulation","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Mit
otic Metaphase and Anaphase","RET signaling","Semaphorin interactions","G alpha (q) signalling events","Parasite infection","Bile acid and bile salt metabolism","Negative regulation of the PI3K/AKT ne
twork","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by TP53","PI Metabolism","G2/M Transition","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Biosynth
esis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Mitotic Anaphase","Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phag
ocytosis","Synthesis of bile acids and bile salts",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Xenobiotics,"Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Centrosome mat
uration","Synthesis of PIPs at the Golgi membrane","Signalling to ERK5","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Post NMDA receptor activation events","Separation of Si
ster Chromatids","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","Synthesis of bile acids and bile salts via 7alpha-hydroxycho
lesterol","Regulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","Biosynthesis of maresin-like 
SPMs","Long-term potentiation","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","activated
 TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"Lapatinib Ditosylate",388082-77-7,388082777,Tykerb,Tyverb,"Lapatinib (GW-572016) Ditosylate","Lapatinib (GW572016) Ditosylate","Lapatinib (ditosylate)",388082-78-8,388082788,UNII-4WK72K94MC,UNII4WK7
2K94MC,4WK72K94MC,"388082-77-7 (ditosylate)","388082777 (ditosylate)","Lapatinib Ditosylate (Tykerb, Tyverb, GW-572016)","Lapatinib Ditosylate (Tykerb, Tyverb, GW572016)",Tyker,T6235,T0078L,S1028,"Lap
atinib ditosylate monohydrate",lapatinib}

> <pdid>
PD003505

> <targets>
{EGFR(HER),HER2,EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{9941095}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  1  0            999 V2000
    1.3005   -0.7492    0.0000 C   0  0
    2.5998   -1.4987    0.0000 C   0  0  1  0  0  0
    2.5999   -2.9995    0.0000 C   0  0
    3.9001   -3.7476    0.0000 N   0  0
    3.9022   -5.2476    0.0000 C   0  0
    2.6042   -5.9995    0.0000 N   0  0
    1.3041   -5.2514    0.0000 C   0  0
    1.3020   -3.7514    0.0000 C   0  0
    0.0019   -3.0032    0.0000 F   0  0
    3.8990   -0.7473    0.0000 C   0  0  2  0  0  0
    2.5993    0.0015    0.0000 O   0  0
    5.1998   -1.4960    0.0000 C   0  0
    6.4990   -0.7446    0.0000 N   0  0
    7.8521   -1.3619    0.0000 C   0  0
    8.8527   -0.2444    0.0000 N   0  0
    8.0991    1.0526    0.0000 C   0  0
    6.6328    0.7366    0.0000 N   0  0
    3.8975    0.7534    0.0000 C   0  0
    5.1957    1.5048    0.0000 C   0  0
    5.1942    3.0048    0.0000 C   0  0
    3.8944    3.7534    0.0000 C   0  0
    3.8928    5.2534    0.0000 F   0  0
    2.5961    3.0021    0.0000 C   0  0
    2.5977    1.5021    0.0000 C   0  0
    1.2994    0.7507    0.0000 F   0  0
  2  1  1  6
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  2 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 10 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12407

> <plate>
PLATE 019

> <well>
B7

> <supplier_cmpd_name>
Voriconazole

> <ctcr_id>
5875

> <supplier_cmpd_id>
T0120

> <smiles>
C[C@@H](c1ncncc1F)[C@](O)(Cn2cncn2)c3ccc(F)cc3F

> <pd_targets>
{CYP46A1,CYP11A1,CYP2C9,CYP2C19,CYP3A4,CYP3A43,CYP3A5,CYP3A7,CYP2B6,MAPK1,CYP51,CYP51B,ERG11}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,"Cytochrome P450",Kinase,"Cytochrome P450 family 11","Cytochrome P450 family 2","Cytochrome P450 family 3","Protein Kinase","Cytochrome P450 family 51","Cytochrome P450 family 1
1A","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 2B","CMGC protein kinase group","Cytochrome P450 family 51A","Cytochrome P450 11A1","Cytochrome P450 2C9","Cytochrom
e P450 2C19","Cytochrome P450 3A4","Cytochrome P450 2B6","CMGC protein kinase MAPK family","Cytochrome P450 51A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Kinases (EC 2.7.x.x)",CYP39,"CYP46 and CYP51 families",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","CYP2 family: drug metabolising subset","CMGC: Containing CDK",MAPK,GSK3
,"CLK families","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Metabolism of lipids","Biological oxidations","Innate Immune System","Metabolism of steroids","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Bio
synthesis of specialized proresolving mediators (SPMs)","Bile acid and bile salt metabolism","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-d
erived SPMs","Synthesis of bile acids and bile salts","Endogenous sterols",Xenobiotics,"MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Synthesis of bile acids and bile salts v
ia 24-hydroxycholesterol","CYP2E1 reactions","MAP kinase activation","Biosynthesis of maresin-like SPMs","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated
"}

> <broad_targets>
{CYP2C19,CYP2C9,CYP3A4,CYP3A5,PTGS1}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{Voriconazole,137234-62-9,137234629,Vfend,UK-109496,UK109496,"UK 109496","UK-109,496","UK109,496",UNII-JFU09I87TR,UNIIJFU09I87TR,C16H14F3N5O,(+/-)-Voriconazole,(+/)Voriconazole,VCZ,CHEMBL638,JFU09I87T
R,CPD000466350,CHEBI:10023,VRC,Voriconazol,DSSTox_CID_26485,DSSToxCID26485,DSSTox-CID-26485,"DSSTox CID 26485",DSSTox_RID_81656,DSSToxRID81656,DSSTox-RID-81656,"DSSTox RID 81656",DSSTox_GSID_46485,DSS
ToxGSID46485,DSSTox-GSID-46485,"DSSTox GSID 46485",T0120,SAM001246664,Prestw-1500}

> <pdid>
PD001669

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{71616}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 35  0  0  1  0            999 V2000
   -6.6955   -2.9861    0.0000 O   0  0
   -5.4000   -2.2300    0.0000 C   0  0
   -5.4000   -0.7400    0.0000 C   0  0
   -4.0900    0.0000    0.0000 C   0  0
   -2.8000   -0.7400    0.0000 C   0  0  1  0  0  0
   -2.7950    0.7600    0.0000 C   0  0
   -2.8000   -2.2300    0.0000 C   0  0
   -4.0900   -2.9700    0.0000 C   0  0
   -1.4900   -2.9700    0.0000 C   0  0
   -0.1900   -2.2300    0.0000 C   0  0  1  0  0  0
    1.1067   -2.9857    0.0000 C   0  0
    2.4085   -2.2405    0.0000 O   0  0
    1.1016   -4.4865    0.0000 O   0  0
    2.3976   -5.2417    0.0000 C   0  0
   -0.1900   -0.7400    0.0000 C   0  0  2  0  0  0
   -1.4900    0.0000    0.0000 C   0  0  1  0  0  0
   -0.1400    0.7100    0.0000 O   0  0
   -1.4900    1.4700    0.0000 C   0  0  2  0  0  0
   -0.1900    2.2200    0.0000 C   0  0
    1.1100    1.4700    0.0000 C   0  0  1  0  0  0
    1.3239    2.9547    0.0000 C   0  0
    1.1100    0.0000    0.0000 C   0  0  1  0  0  0
    2.5000   -0.7200    0.0000 C   0  0
    3.3100    0.2700    0.0000 C   0  0
    2.6000    1.8300    0.0000 C   0  0  2  0  0  0
    4.5900    2.6500    0.0000 O   0  0
    5.0000    3.8400    0.0000 C   0  0
    6.4628    4.1720    0.0000 O   0  0
    3.6300    5.2300    0.0000 C   0  0
    1.9000    3.5200    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  2  3
  8  2  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  6
 11 12  2  0
 11 13  1  0
 13 14  1  0
 15 10  1  6
 15 16  1  0
 16  5  1  0
 16 17  1  6
 18 17  1  6
 18 16  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  1
 20 22  1  0
 22 15  1  0
 22 23  1  1
 23 24  1  0
 25 24  1  6
 25 20  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12408

> <plate>
PLATE 019

> <well>
B8

> <supplier_cmpd_name>
Eplerenone

> <ctcr_id>
11179

> <supplier_cmpd_id>
T0083

> <smiles>
O=C1CC[C@@]2(C)C(=C1)C[C@@H](C(=O)OC)[C@@H]1[C@]32O[C@@H]3C[C@@]2(C)[C@H]1CC[C@@]12OC(=O)CC1

> <pd_targets>
{PGR,NR3C1,NR3C2}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormon
e receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 3 group C member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Post-translational protein modification","RNA Polymerase II Transcription",SUMOylation,"Generic Transcription Pathway","SUMO E3 ligases SUM
Oylate target proteins","FOXO-mediated transcription","SUMOylation of intracellular receptors","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes"}

> <broad_targets>
{NR3C2}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{Eplerenone,Epoxymexrenone,Inspra,107724-20-9,107724209,Selara,SC-66110,SC66110,Epleremone,CGP-30083,CGP30083,UNII-6995V82D0B,UNII6995V82D0B,"Cgp 30083",CHEMBL1095097,CHEBI:31547,6995V82D0B,"HSDB 7522
",NCGC00159559-02,NCGC0015955902,DSSTox_CID_26094,DSSToxCID26094,DSSTox-CID-26094,"DSSTox CID 26094",DSSTox_RID_81333,DSSToxRID81333,DSSTox-RID-81333,"DSSTox RID 81333",DSSTox_GSID_46094,DSSToxGSID460
94,DSSTox-GSID-46094,"DSSTox GSID 46094",(+)-Eplerenone,(+)Eplerenone,I,T0083}

> <pdid>
PD000356

> <targets>
{"Mineralocorticoid Receptor"}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{443872}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 Cl  0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21  7  1  0
 21 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12409

> <plate>
PLATE 019

> <well>
B9

> <supplier_cmpd_name>
Chlorprothixene

> <ctcr_id>
7158

> <supplier_cmpd_id>
T0074

> <smiles>
CN(C)CC\C=C/1c2ccccc2Sc3ccc(Cl)cc13

> <pd_targets>
{CYP3A4,LMNA,CYP2C19,CYP2D6,FFP,LEF,DRD2,CHRM2,CYP1A2,CHRM1,HTR6,CHRM4,CHRM5,HTR2A,HTR7,CASP1,CHRM3,AMPC,HRH1,ABCB11,PDR5,DRD5,DRD3,SLC22A1,HTR2C,HTR1A,HTR1B,HTR1D,HTR1E,HTR1F,HTR2B,HTR3A,HTR3B,HTR3C,
HTR3D,HTR3E,HTR4}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor","Cytochrome P450",Transferase,Protease,"Family A G protein-coupled receptor","Cytochrome P450 family 3","Cytochrome P450 family 2","Metallo protease
","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Cysteine protease","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Metallo protease MAE cla
n","Monoamine receptor","Cytochrome P450 family 1A","Cysteine protease CD clan","Cytochrome P450 3A4","Cytochrome P450 2C19","Cytochrome P450 2D6","Metallo protease M34 family","Dopamine receptor","Ac
etylcholine receptor","Cytochrome P450 1A1","Serotonin receptor","Cysteine protease C14 family",Transporter,Hydrolase,"Primary active transporter","Electrochemical transporter","ATP-binding cassette",
"SLC superfamily of solute carriers","ABCB subfamily","SLC22 family of organic cation and anion transporters","Histamine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Peptidases and proteinases","CYP3 family","CYP2 family: drug metabolising subset","Dopamine receptors","Acetylcholine receptors (mus
carinic)","CYP1 family","5-Hydroxytryptamine receptors","CD: Cysteine (C) Peptidases","C14: Caspase",Transporters,"ATP-binding cassette transporter family","SLC superfamily of solute carriers","Histam
ine receptors","ABCB subfamily","SLC22 family of organic cation and anion transporters","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Signal Transduction","Gene expression (Transcription)","Metabolism of lipids",Mitotic,"Biological oxidations","Infectious disease","Signaling by GPCR","RNA Polymerase
 II Transcription","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Phase I - Functionalization of compounds","Uptake and actions of bacterial toxins","GPCR ligand binding","Leis
hmania infection","Generic Transcription Pathway","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Uptake and function of anthrax tox
ins","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Transcriptional Regulation by TP53","Biosynthesis of maresins","Mitotic Anaphase",Xenobiotics,"Amine ligand-bindi
ng receptors","Anti-inflammatory response favouring Leishmania parasite infection","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassem
bly","CYP2E1 reactions","Dopamine receptors","Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines produ
ction","Serotonin receptors","TP53 Regulates Transcription of Caspase Activators and Caspases","Initiation of Nuclear Envelope (NE) Reformation","Transport of small molecules","SLC-mediated transmembr
ane transport","Metabolism of steroids","Transport of bile salts and organic acids","metal ions and amine compounds","Bile acid and bile salt metabolism","Organic cation/anion/zwitterion transport","S
ynthesis of bile acids and bile salts","Organic cation transport","Histamine receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD1,DRD2,DRD3,HRH1,HTR2A,HTR2B,HTR2C}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{chlorprothixene,113-59-7,113597,Taractan,Truxal,Chlorprothixen,Chlorprotixen,Chlorprotixene,Clorprotixeno,Chlothixen,Iaractan,Rentovet,Traquilan,Vetacalm,Trictal,Truxil,Chlorprothixenum,Paxyl,(Z)-chl
orprothixene,(Z)chlorprothixene,"Ro 4-0403","Ro 40403",UNII-9S7OD60EWP,UNII9S7OD60EWP,N-714,N714,"MK 184",T0074L,T0074,S1771,"Chlorprothixene hydrochloride",Chlorprothixene}

> <pdid>
PD009945

> <targets>
{Others}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{667467}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2112    5.9836    0.0000 N   0  0
   -6.5072    5.2269    0.0000 C   0  0
   -6.4994    3.7269    0.0000 O   0  0
   -7.8111    5.9701    0.0000 N   0  0
   -9.1072    5.2134    0.0000 C   0  0
  -10.4114    5.9543    0.0000 C   0  0
  -11.7053    5.1953    0.0000 C   0  0
  -11.6949    3.6953    0.0000 C   0  0
  -12.9887    2.9364    0.0000 Cl  0  0
  -10.3907    2.9543    0.0000 C   0  0
   -9.0969    3.7133    0.0000 C   0  0
  -10.3803    1.4536    0.0000 C   0  0
  -11.6736    0.6938    0.0000 F   0  0
   -9.0759    0.7130    0.0000 F   0  0
  -10.3692   -0.0464    0.0000 F   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 12 28  1  0
 28 29  2  0
 29  9  1  0
  7 30  2  0
 30 31  1  0
 31 32  2  0
 32  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12410

> <plate>
PLATE 019

> <well>
B10

> <supplier_cmpd_name>
Sorafenib tosylate

> <ctcr_id>
6031

> <supplier_cmpd_id>
T0093

> <smiles>
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1

> <pd_targets>
{EPHA6,RAF1,MKNK2,EPHA5,FLT4,FLT3,MAPK12,HTR7,BRAF,CSF1R,CDK17,CDK14,AURKA,AXL,CAMK2B,RET,FGR,MAP2K5,ARAF,KDR,CDK8,KIT,MAPK14,FRK,EPHA8,ABL2,EPHA4,SLK,FGFR1,RIPK2,NTRK1,STK36,LCK,MAPK13,STK33,TNNI3K,D
DR2,LYN,AURKC,TAOK3,PDGFRB,MYLK3,ABL1,STK10,CLK1,TTK,MAPK15,CIT,TEK,HTR6,CDK7,SRMS,MINK1,KMT2A,MEN1,FGFR2,EPHA2,FGFR3,TAOK1,CDK19,DDR1,EPHB4,FLT1,MYLK2,CDK2,HIPK2,MAPK11,EPHA7,MAP4K5,LIMK1,MAPK9,HIPK4
,EPHA3,MKNK1,SRPK1,TNK1,AURKB,CDKL2,CDKL3,HIPK1,CCNC,MAPK1,EGFR,TGFBR2,HTR2B,CDK5,MAP3K20,MAP4K4,PDGFRA,TIE1,RPS6KA6,FYN,EPHB1,EPHB2,NTRK2,TNIK,NTRK3,MUSK,HIPK3,EPHA1,IRAK1,RORC,MERTK,EPHB6,NLK,MAPK3,
DYRK3,CDK3,NTSR1,RPS6KB1,PLK2,MAP3K7,LIMK2,HCK,HTR2C,CDK15,HTR2A,EPHX2,PLK4,MAP4K1,CDPK1,HTR5A,MYO3B,ABCB11,CSNK1A1,MAP3K19,MET,TAOK2,CSK,JAK3,BLK,RIPK1,CCNA2,HTR1A,SRC,GSK3B,INSR,CA7,CYP19A1,MAP2K1,R
IPK3,PAX8,LMP1,MC4R}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Transcription factor","Unclassified protein",Transporter,Kinase,"Family A G protein-coupled receptor",Reader,"Nuclear receptor",Protease,"Primary ac
tive transporter",Lyase,"Cytochrome P450","Protein Kinase","Small molecule receptor (family A GPCR)",Bromodomain,"Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Serine prote
ase","ATP-binding cassette","Cytochrome P450 family 19","TK protein kinase group","TKL protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Monoamine receptor","Other protein
 kinase group","STE protein kinase group","AGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Serine protease SC clan","ABCB subfamily",
"CK1 protein kinase group","Cytochrome P450 family 19A","Tyrosine protein kinase Eph family","TKL protein kinase RAF family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase VEGFR family"
,"Tyrosine protein kinase PDGFR family","CMGC protein kinase MAPK family","Serotonin receptor","CMGC protein kinase CDK family","Other protein kinase AUR family","Tyrosine protein kinase Axl family","
CAMK protein kinase CAMK2 family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Src family","STE protein kinase STE7 family","Tyrosine protein kinase Abl family","STE protein kinase ST
E20 family","Tyrosine protein kinase FGFR family","TKL protein kinase RIPK family","Tyrosine protein kinase Trk family","Other protein kinase ULK family","CAMK protein kinase unique family","TKL prote
in kinase MLK family","Tyrosine protein kinase DDR family","CAMK protein kinase MLCK family","CMGC protein kinase CLK family","Other protein kinase TTK family","AGC protein kinase DMPK family","Tyrosi
ne protein kinase Tie family","CMGC protein kinase DYRK family","TKL protein kinase LISK family","CMGC protein kinase SRPK family","Tyrosine protein kinase Ack family","CMGC protein kinase CDKL family
","Tyrosine protein kinase EGFR family","TKL protein kinase STKR family","AGC protein kinase RSK family","Tyrosine protein kinase Musk family","TKL protein kinase IRAK family","Nuclear hormone recepto
r subfamily 1 group F member 3","Neurotensin receptor","Other protein kinase PLK family","Serine protease S33 family","CK1 protein kinase CK1 family","STE protein kinase STE11 family","Tyrosine protei
n kinase Met family","Tyrosine protein kinase Csk family","Tyrosine protein kinase JakA family","CMGC protein kinase GSK family","Tyrosine protein kinase InsR family","Cytochrome P450 19A1","Melanocor
tin receptor","CAMK protein kinase MNK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase PCTAIRE","CMGC protein kinase PFTAIRE","CMGC protein kinase CDK8 subfamily","STE protein kina
se SLK subfamily","TKL protein kinase HH498 subfamily","STE protein kinase TAO subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase CDK7 subfamily","Tyrosine protein kinase Srm","STE pr
otein kinase MSN subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase KHS subfamily","TKL protein kinase LIMK subfamily","CMGC protein kinase JNK su
bfamily","CMGC protein kinase ERK1","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase CDK5 subfamily","TKL protein kinase MLK subfamily","AGC protein kinase RSK subfamily","Tyrosine prot
ein kinase SrcA","CMGC protein kinase nmo subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase p70 subfamily","Other protein kinase PLK2","TKL protein kinase TAK1 subfamily","STE prote
in kinase NinaC subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Nuclear hormone receptors",Hydrolases,"ATP-binding cassette transporter family","Carbonic an
hydrases","Cytochrome P450","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors","STE: Homologs of ye
ast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","1F. Retinoic acid-related orphans","Neurotensin receptors","ABCB subfamily","CK1: Casein kinase 1",CYP11,CYP1
7,CYP19,"CYP20 and CYP21 families","Melanocortin receptors","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","Mitogen-activated protein kinases (MAP k
inases)","Cyclin-dependent kinase (CDK) family","Other protein kinases","CAMK2 family","STE7 family","STE20 family","CAMK-unique family","Myosin Light Chain Kinase (MLCK) family","CLK family","DMPK fa
mily","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","SRPK family","Cyclin-dependent kinase-like (CDKL) family","RSK family","Casein kinase 1 (CK1) family","Glycogen sy
nthase kinase (GSK) family","Receptor tyrosine kinases (RTKs)","RAF family","MKN subfamily","p38 subfamily","TAIRE subfamily","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","CDK8
 subfamily","SLK subfamily","Receptor interacting protein kinase (RIPK) family","Unc-51-like kinase (ULK) family","Mixed Lineage Kinase (MLK) family","TAO subfamily","TTK family","Erk7 subfamily","Oth
er DMPK family kinases","CDK7 subfamily","MSN subfamily","CDK1 subfamily","HIPK subfamily","KHS subfamily","LIM domain kinase (LISK) family","JNK subfamily","ERK subfamily","Receptor serine/threonine 
kinase (RSTK) family","CDK5 subfamily","RSK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","nmo subfamily","Dyrk2 subfamily","p70 subfamily","Polo-like kinase (PLK) family","NinaC
 subfamily","STE20 subfamily","GSK subfamily","Type XIII RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 r
eceptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIV RTKs: RET","Src family","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type VII RT
Ks: Neurotrophin receptor/Trk family","HH498 subfamily","Type XVI RTKs: DDR (collagen receptor) family","Type XII RTKs: TIE family of angiopoietin receptors","LIMK subfamily","Ack family","Type I RTKs
: ErbB (epidermal growth factor) receptor family","Type II receptor serine/threonine kinases","MLK subfamily","Type IX RTKs: MuSK","TAK1 subfamily","Type X RTKs: HGF (hepatocyte growth factor) recepto
r family","Csk family","Janus kinase (JakA) family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Disease,"Gene expression (Transcription)","Neuronal System","Immune System","Extracellular matrix organization","Cellular responses to external stimuli",
"Cell Cycle",Metabolism,Hemostasis,"Nervous system development","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","Infectious disease","RNA Polymerase II Transcription","Transm
ission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","Intracellular signaling by second messengers","Non-integrin 
membrane-ECM interactions","Signaling by Rho GTPases","Signaling by Non-Receptor Tyrosine Kinases","Cellular responses to stress",Mitotic,"Metabolism of lipids","Signaling by GPCR","ECM proteoglycans"
,"Cell surface interactions at the vascular wall","Signaling by WNT","MTOR signalling","Cytokine Signaling in Immune system","Reversible hydration of carbon dioxide","Biological oxidations","Axon guid
ance","MAPK1/MAPK3 signaling","Signaling by VEGF","Signaling by Insulin receptor","Signaling by NTRKs","Leishmania infection","Generic Transcription Pathway","Neurotransmitter receptors and postsynapt
ic signal transmission","Oncogenic MAPK signaling","Signaling by NOTCH1 in Cancer","Signaling by KIT in disease","Toll-like Receptor Cascades","PIP3 activates AKT signaling","Signaling by FGFR in dise
ase","HIV Infection","Neutrophil degranulation","RHO GTPase Effectors","Signaling by PTK6","Cellular Senescence","M Phase","Regulation of lipid metabolism by PPARalpha","Signaling by FGFR","GPCR downs
tream signalling","Signaling by TGF-beta Receptor Complex in Cancer","GPCR ligand binding","Signaling by PDGFR in disease","Beta-catenin independent WNT signaling","mTORC1-mediated signalling","Biosyn
thesis of specialized proresolving mediators (SPMs)","Mitotic G2-G2/M phases","Metabolism of steroids","Signaling by WNT in cancer","Signaling by Interleukins","SARS-CoV Infections","Phase I - Functio
nalization of compounds","EPH-Ephrin signaling","RAF/MAP kinase cascade","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","Signaling by NTRK1 (TRKA)","Leishmania parasite grow
th and survival","Transcriptional Regulation by VENTX","Transcriptional Regulation by TP53","VEGFA-VEGFR2 Pathway","Activation of NMDA receptors and postsynaptic events","RET signaling","Signaling by 
RAS mutants","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Drug resistance of KIT mutants","Toll Like Receptor 5 (TLR5) Cascade","PTEN Regulation","Signaling by ROBO receptors","Signaling by
 FGFR1 in disease","Host Interactions of HIV factors","Negative regulation of the PI3K/AKT network","Parasite infection","RHO GTPases activate CIT","HIV Life Cycle","PTK6 Down-Regulation","Oxidative S
tress Induced Senescence","Signaling by FGFR2 in disease","Signaling by FGFR3 in disease","Mitotic Metaphase and Anaphase","PPARA activates gene expression","Semaphorin interactions","Signaling by FGF
R4","G alpha (q) signalling events","Loss of Function of SMAD2/3 in Cancer","Class A/1 (Rhodopsin-like receptors)","Drug resistance of PDGFR mutants","Signaling by NTRK3 (TRKC)","Transcriptional regul
ation by RUNX3","Ca2+ pathway","Toll Like Receptor 4 (TLR4) Cascade","Biosynthesis of DHA-derived SPMs","G2/M Transition","Bile acid and bile salt metabolism","Signaling by AMER1 mutants","Interleukin
-2 family signaling","Transcriptional regulation by RUNX1","SARS-CoV-1 Infection","Cytochrome P450 - arranged by substrate type","EPHA-mediated growth cone collapse","Negative regulation of MAPK pathw
ay","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated signalling","Signalling to ERKs","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activ
ity","Post NMDA receptor activation events","Signalling to ERK5","Signaling downstream of RAS mutants","VEGFR2 mediated cell proliferation","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","D
asatinib-resistant KIT mutants","MyD88 cascade initiated on plasma membrane","Regulation of PTEN stability and activity","Role of ABL in ROBO-SLIT signaling","FGFR1 mutant receptor activation","The ro
le of Nef in HIV-1 replication and disease pathogenesis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Leishmania phagocytosis","Late Phase of HIV Life Cycle","FGFR2 mutant receptor activation","S
ignaling by FGFR3 point mutants in cancer","Mitotic Anaphase","EPHB-mediated forward signaling","Sema4D in semaphorin signaling","Negative regulation of FGFR4 signaling","Gastrin-CREB signalling pathw
ay via PKC and MAPK","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Amine ligand-binding receptors","Imatinib-resistant PDGFR mutants","Activation of TRKA receptors","Activated NTRK3 signals throu
gh PI3K","RUNX3 Regulates Immune Response and Cell Migration","Peptide ligand-binding receptors","MyD88-independent TLR4 cascade","Biosynthesis of maresins","Centrosome maturation","Synthesis of bile 
acids and bile salts","Truncations of AMER1 destabilize the destruction complex","Interleukin-15 signaling","RUNX1 regulates transcription of genes involved in BCR signaling","SARS-CoV-1 Genome Replic
ation and Transcription","Endogenous sterols","Negative feedback regulation of MAPK pathway","PI3K Cascade","Signalling to RAS","ADORA2B mediated anti-inflammatory cytokines production","Prolonged ERK
 activation events","Regulation of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FCGR3A-mediated IL10 synthesis","MAP kinas
e activation","Signaling by activated point mutants of FGFR1","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated phagocytosis","Transcrip
tion of the HIV genome","Activated point mutants of FGFR2","FGFR3 mutant receptor activation","Separation of Sister Chromatids","Regulation of TP53 Expression and Degradation","Sema4D induced cell mig
ration and growth-cone collapse","Spry regulation of FGF signaling","EGFR Transactivation by Gastrin","Serotonin receptors","Nef and signal transduction","NGF-independant TRKA activation","CD163 media
ting an anti-inflammatory response","TRIF(TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase microtubule organization from the centrosome","Synthesis of bile acids and bile sal
ts via 7alpha-hydroxycholesterol","Sema4D mediated inhibition of cell attachment and migration","Replication of the SARS-CoV-1 genome","p38MAPK events","ARMS-mediated activation","Ras activation upon 
Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Nef Mediated CD4 Down-regulation","HIV Transcription Elongation
","Signaling by activated point mutants of FGFR3","Regulation of TP53 Degradation","RSK activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Loss of Nlp from mitotic centrosomes
","IKK complex recruitment mediated by RIP1","Activation of the AP-1 family of transcription factors","Tat-mediated elongation of the HIV-1 transcript","ERK/MAPK targets","Formation of HIV-1 elongatio
n complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{BRAF,DDR2,FGFR1,FLT1,FLT3,FLT4,KDR,KIT,PDGFRB,RAF1,RET}

> <broad_moa>
{"FLT3 inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","RAF inhibitor","RET tyrosine kinase inhibitor","VEGFR inhibitor"}

> <synonyms>
{"AY 43900",Sorafenib,284461-73-0,284461730,Nexavar,"BAY 43-9006","BAY 439006",UNII-9ZOQ3TZI87,UNII9ZOQ3TZI87,"Sorafenib free base","284461-73-0 (free base)","284461730 (free base)",100012-18-8,100012
188,BAY-43-9006,BAY439006,9ZOQ3TZI87,CHEMBL1336,DTXSID7041128,CHEBI:50924,MFCD06411450,"Sorafenib (Nexavar)","Donafenib (Sorafenib D3)",T0093L,747971,10009644,S7397,"NSC 747971",sorafenib,"Sorafenib T
osylate",SORAFENIB,"Sorafenib tosylate"}

> <pdid>
PD003493

> <targets>
{B-Raf,PDGFR,Raf,RAF,KIT,VEGFR2/3,Apoptosis,Autophagy,Ferroptosis,FLT3,VEGFR}

> <classes>
{Raf/PDGF/VEGFR inhibitor,Apoptosis,Autophagy,MAPK/ERK Pathway,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{216239}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 39  0  0  1  0            999 V2000
    9.0964   -0.7233    0.0000 C   0  0
    7.8010   -1.4797    0.0000 N   0  0
    6.4972   -0.7364    0.0000 C   0  0  1  0  0  0
    6.4920    0.7636    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0  1  0  0  0
    5.1852    3.0091    0.0000 N   0  0
    3.8939    0.7546    0.0000 C   0  0  2  0  0  0
    2.5923    1.5001    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -4.9999    0.6696    0.0000 O   0  0
   -6.2788   -0.1141    0.0000 C   0  0  2  0  0  0
   -7.5963    0.6047    0.0000 C   0  0
   -8.8766   -0.1768    0.0000 N   0  0
   -7.6335    2.1051    0.0000 C   0  0
   -8.9502    2.8235    0.0000 O   0  0
   -6.2395   -1.6136    0.0000 C   0  0  2  0  0  0
   -7.5185   -2.3974    0.0000 O   0  0
   -4.9213   -2.3293    0.0000 C   0  0  2  0  0  0
   -4.8820   -3.8288    0.0000 O   0  0
   -3.6423   -1.5456    0.0000 C   0  0  1  0  0  0
   -2.3422   -2.2936    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
    5.2007   -1.4909    0.0000 C   0  0  2  0  0  0
    5.2059   -2.9909    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  6
  5  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  6
 11 10  1  1
 11 12  1  0
 12 13  1  0
 13 14  1  1
 14 15  1  0
 13 16  1  0
 16 17  1  1
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  1
 21 22  1  0
 21 23  1  0
 23 24  1  0
 20 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  1
 27 29  1  0
 29 18  1  0
 29 30  1  6
 18 31  1  0
 32 31  1  1
 32 16  1  0
 32 33  1  0
 33 11  1  0
 33 34  1  1
  9 35  1  0
 35  3  1  0
 35 36  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12411

> <plate>
PLATE 019

> <well>
B11

> <supplier_cmpd_name>
Hygromycin B

> <ctcr_id>
2015

> <supplier_cmpd_id>
T1022

> <smiles>
CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H]3OC4(O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)O[C@@H]3[C@@H]2O)[C@@H]1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Spectrum2_000918,Spectrum2000918,Spectrum2-000918,"Spectrum2 000918",BSPBio_002516,BSPBio002516,BSPBio-002516,"BSPBio 002516",SPECTRUM1505362,SPBio_000796,SPBio000796,SPBio-000796,"SPBio 000796",CHEM
BL3039137,CCG-39049,CCG39049,NCGC00178623-01,NCGC0017862301,1505362,"HYGROMYCIN B"}

> <pdid>
PD000911

> <targets>
{}

> <classes>
{"anthelmintic; LD50 ip (rat) 63mg/Kg",antibacterial}

> <pubchem_cids>
{6728943}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  1  0            999 V2000
    6.8348    0.5669    0.0000 Na  0  3
    3.8780   -3.8845    0.0000 C   0  0
    2.4294   -3.4952    0.0000 O   0  0
    2.0479   -2.0470    0.0000 C   0  0  2  0  0  0
    3.1019   -0.9836    0.0000 N   0  0
    4.5551   -1.3587    0.0000 C   0  0
    4.9562   -2.8040    0.0000 O   0  0
    5.6072   -0.2883    0.0000 C   0  0
    7.0604   -0.6634    0.0000 C   0  0
    8.1982    0.2944    0.0000 S   0  0
    9.4620   -0.5135    0.0000 C   0  0
    9.0842   -1.9651    0.0000 C   0  0
    7.5868   -2.0544    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  5
   -3.8983   -0.7459    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 O   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.1937    3.0092    0.0000 N   0  0
   -3.8912    5.2570    0.0000 O   0  0
  2  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  2  0
  4 14  1  0
 14 15  1  6
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 14  1  0
 19 20  1  0
 20  4  1  0
 20 21  2  0
 18 22  1  0
 22 23  1  0
 22 24  2  0
 17 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
M  CHG  2   1   1  23  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12412

> <plate>
PLATE 019

> <well>
C2

> <supplier_cmpd_name>
Cefoxitin sodium

> <ctcr_id>
2116

> <supplier_cmpd_id>
T1023

> <smiles>
[Na+].CO[C@]1(NC(=O)Cc2sccc2)[C@H]3SCC(=C(N3C1=O)C([O-])=O)COC(N)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS015951242,"CEFOXITIN SODIUM","Cefoxitin sodium salt",33564-30-6,33564306,Cenomycin,"Cefoxitin (sodium)",Mefoxitin,UNII-Q68050H03T,UNIIQ68050H03T,MLS000028557,CHEBI:3501,Betacef,Merxin,Q68050H03T,
SMR000058809,"Cefoxitin sodium salt, 94","Monosodium cefoxiti",T1023,SAM002564251,1502031,Prestw-832,"Cefoxitin sodium",CPD000058809}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{78759335,23667300}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  1  0            999 V2000
   -1.8778    2.7573    0.0000 C   0  0
   -1.0947    1.4779    0.0000 N   0  0
    0.0000    0.6568    0.0000 C   0  0
   -0.6568   -0.6386    0.0000 C   0  0
   -1.8063   -1.3319    0.0000 C   0  0  2  0  0  0
   -2.9112   -2.3464    0.0000 O   0  0
   -0.8393    0.0000    0.0000 C   0  0  2  0  0  0
    0.9488    0.0000    0.0000 C   0  0
    1.8975   -0.8028    0.0000 C   0  0  2  0  0  0
    1.6421    0.6933    0.0000 C   0  0
    2.6599   -2.0832    0.0000 O   0  0
    1.9266   -3.3927    0.0000 C   0  0
    0.4267   -3.4119    0.0000 O   0  0
    2.6932   -4.6829    0.0000 C   0  0  2  0  0  0
    4.1939   -4.6606    0.0000 C   0  0
    4.9253   -3.3510    0.0000 O   0  0
    1.9600   -5.9924    0.0000 C   0  0
    2.7243   -7.2831    0.0000 C   0  0
    1.9888   -8.5904    0.0000 C   0  0
    0.4888   -8.6071    0.0000 C   0  0
   -0.2755   -7.3164    0.0000 C   0  0
    0.4600   -6.0092    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  6
  5  7  1  0
  7  2  1  0
  7  8  1  1
  8  9  1  0
  9 10  1  0
 10  3  1  0
  9 11  1  6
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  6
 15 16  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12413

> <plate>
PLATE 019

> <well>
C3

> <supplier_cmpd_name>
Anisodamine

> <ctcr_id>
3315

> <supplier_cmpd_id>
T0970

> <smiles>
CN1C2C[C@H](O)[C@@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ADRA1A}

> <broad_moa>
{"lipid peroxidase inhibitor"}

> <synonyms>
{"anisodamine hydrobromide",anisodamine,Spectrum_001251,Spectrum001251,Spectrum-001251,"Spectrum 001251",Spectrum2_000732,Spectrum2000732,Spectrum2-000732,"Spectrum2 000732",Spectrum3_001242,Spectrum3
001242,Spectrum3-001242,"Spectrum3 001242",Spectrum4_001802,Spectrum4001802,Spectrum4-001802,"Spectrum4 001802",Spectrum5_000503,Spectrum5000503,Spectrum5-000503,"Spectrum5 000503",BSPBio_002744,BSPBi
o002744,BSPBio-002744,"BSPBio 002744",KBioGR_002407,KBioGR002407,KBioGR-002407,"KBioGR 002407",KBioSS_001731,KBioSS001731,KBioSS-001731,"KBioSS 001731",SPECTRUM300047,SPBio_000684,SPBio000684,SPBio-00
0684,"SPBio 000684",KBio2_001731,KBio2001731,KBio2-001731,"KBio2 001731",KBio2_004299,KBio2004299,KBio2-004299,"KBio2 004299",KBio2_006867,KBio2006867,KBio2-006867,"KBio2 006867",KBio3_00224,KBio30022
4,KBio3-00224,"KBio3 00224",T0970,300047,Anisodamine,ANISODAMINE}

> <pdid>
PD002043

> <targets>
{}

> <classes>
{antispasmodic,anticholinergic}

> <pubchem_cids>
{6710677}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 22  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0  2  0  0  0
   -4.8896   -2.5354    0.0000 O   0  0
   -6.2433   -1.8893    0.0000 C   0  0  2  0  0  0
   -7.5587   -2.6066    0.0000 C   0  0
   -7.5961   -4.1061    0.0000 O   0  0
   -6.0471   -0.4022    0.0000 C   0  0  1  0  0  0
   -7.1349    0.6307    0.0000 O   0  0
   -4.5721   -0.1292    0.0000 C   0  0  2  0  0  0
   -3.9177    1.2205    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  2  1  0
 11  7  2  0
 12  8  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  6
 15 16  1  0
 14 17  1  0
 17 18  1  1
 17 19  1  0
 19 12  1  0
 19 20  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12414

> <plate>
PLATE 019

> <well>
C4

> <supplier_cmpd_name>
Fludarabine

> <ctcr_id>
4220

> <supplier_cmpd_id>
T1038

> <smiles>
Nc1nc(F)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O

> <pd_targets>
{RRM2,HIF1A,ADORA2A,ADORA1,RRM1,LMNA,ADORA3,POLA1,DCK,ADORA2B,MAPK1,TP53,RXFP1,ADA,AMPC,HSF1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Membrane receptor","Other nuclear protein",Oxidoreductase,"Family A G protein-coupled receptor",Transferase,"Small molecule receptor (family A GPCR)","Nucleotide-like r
eceptor (family A GPCR)","Adenosine receptor",Kinase,Hydrolase,"Protein Kinase","Peptide receptor (family A GPCR)","CMGC protein kinase group","Relaxin-like peptide receptor (family A GPCR)","CMGC pro
tein kinase MAPK family","Relaxin receptor","CMGC protein kinase ERK1","Other cytosolic protein"}

> <pathway_chembl>
{Enzymes,Receptors,"1.17.4.1 Ribonucleoside-diphosphate reductases","G protein-coupled receptors","Adenosine receptors","Kinases (EC 2.7.x.x)","Adenosine turnover","CMGC: Containing CDK",MAPK,GSK3,"CL
K families","Relaxin family peptide receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle","Cellular responses to external stimuli",Disease,"Signal Transduction",Metabolism,Mitotic,"Cellular responses to stress","Infectious disease","Signaling by GPCR","Metabolism of nucleotid
es","Mitotic G1 phase and G1/S transition","Cellular response to hypoxia","Leishmania infection","GPCR ligand binding","Interconversion of nucleotide di- and triphosphates","M Phase","Nucleotide salva
ge","G1/S Transition","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and
 Anaphase","Purine salvage","G1/S-Specific Transcription","Anti-inflammatory response favouring Leishmania parasite infection","Nucleotide-like (purinergic) receptors","Mitotic Anaphase","E2F mediated
 regulation of DNA replication","ADORA2B mediated anti-inflammatory cytokines production","Adenosine P1 receptors","Nuclear Envelope (NE) Reassembly","Inhibition of replication initiation of damaged D
NA by RB1/E2F1","Initiation of Nuclear Envelope (NE) Reformation","Immune System","Innate Immune System","Cell Cycle Checkpoints","Toll-like Receptor Cascades","G1/S DNA Damage Checkpoints","Toll Like
 Receptor 5 (TLR5) Cascade","p53-Dependent G1/S DNA damage checkpoint","MyD88 cascade initiated on plasma membrane","p53-Dependent G1 DNA Damage Response","MAP kinase activation","Stabilization of p53
","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAPK targets","ERKs are inactivated","Cellular response to heat stress","HSF1-dependent 
transactivation","Attenuation phase"}

> <broad_targets>
{ADORA1,ADORA2A,ADORA2B}

> <broad_moa>
{"adenosine receptor agonist"}

> <synonyms>
{RESTW148,Fludarabine,21679-14-1,21679141,F-Ara-A,FAraA,"2-Fluoro Ara-A","2Fluoro AraA",9-beta-D-Arabinofuranosyl-2-fluoroadenine,9betaDArabinofuranosyl2fluoroadenine,"Fludarabine (INN)",2-F-ara-A,2Fa
raA,"NSC 118218","CCRIS 3382","Fludarabine (Fludara)",2-Fluoro-9-beta-D-arabinofuranosyladenine,2Fluoro9betaDarabinofuranosyladenine,MFCD00132942,MLS000028687,UNII-,UNII,T1038,SAM002548956,Prestw-1483
,CPD000058874}

> <pdid>
PD002993

> <targets>
{Apoptosis,DNA/RNA Synthesis,Nucleoside Antimetabolite/Analog,STAT}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{657237}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 43 43  0  0  1  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0  1  0  0  0
   -1.2935    3.7495    0.0000 O   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -2.5848    6.0040    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -3.8915    3.7585    0.0000 C   0  0  1  0  0  0
   -5.1932    3.0130    0.0000 N   0  0
    0.0125    5.9981    0.0000 C   0  0
    0.0155    7.4981    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 O   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0  2  0  0  0
   -3.8770   -6.7401    0.0000 C   0  0
   -5.1856   -4.4557    0.0000 O   0  0
   -2.6108   -5.9949    0.0000 C   0  0  2  0  0  0
   -2.6191   -7.4957    0.0000 N   0  0
   -3.9217   -8.2394    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0  1  0  0  0
   -0.0127   -6.0039    0.0000 O   0  0
    9.0003    1.1296    0.0000 O   0  0
    9.0003   -0.3704    0.0000 S   0  0
    9.0003   -1.8704    0.0000 O   0  0
    7.7010   -1.1200    0.0000 O   0  0
   10.2996   -1.1200    0.0000 O   0  0
   14.1003    1.1296    0.0000 O   0  0
   14.1003   -0.3704    0.0000 S   0  0
   14.1003   -1.8704    0.0000 O   0  0
   12.8010   -1.1200    0.0000 O   0  0
   15.3996   -1.1200    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  6
 10  9  1  6
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 10  1  0
 15 16  1  6
 12 17  1  0
 17 18  1  0
  8 19  1  0
 19 20  1  1
 19 21  1  0
 21  4  1  0
 21 22  1  6
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  6
 26 28  1  0
 26 29  1  0
 29 30  1  1
 30 31  1  0
 29 32  1  0
 32 23  1  0
 32 33  1  6
 34 35  1  0
 35 36  1  0
 35 37  2  0
 35 38  2  0
 39 40  1  0
 40 41  1  0
 40 42  2  0
 40 43  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12415

> <plate>
PLATE 019

> <well>
C5

> <supplier_cmpd_name>
Netilmicin sulfate

> <ctcr_id>
473

> <supplier_cmpd_id>
T1036

> <smiles>
CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(=CC[C@H]2N)CN)[C@H](O)[C@H]1OC3OC[C@](C)(O)[C@H](NC)[C@H]3O.O[S](O)(=O)=O.O[S](O)(=O)=O

> <pd_targets>
{RPSL}

> <pathway_gtopdb>
{}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{SR-05000001642,SR05000001642,HMS2093N09,CCG-213516,CCG213516,SR-05000001642-1,SR050000016421,SR-05000001642-2,SR050000016422,T1036,1505482,"Netilmicin sulfate","NETILMICIN SULFATE"}

> <pdid>
PD014420

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{45006127}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

132145  0  0  0  0            999 V2000
  -11.6783   14.6779    0.0000 C   0  0
  -11.6726   13.1779    0.0000 C   0  0
  -10.3705   12.4316    0.0000 C   0  0
  -10.3649   10.9307    0.0000 C   0  0
   -9.0628   10.1844    0.0000 C   0  0
   -9.0571    8.6836    0.0000 C   0  0
   -7.7550    7.9372    0.0000 C   0  0
   -7.7494    6.4364    0.0000 C   0  0
   -6.4473    5.6901    0.0000 C   0  0
   -6.4416    4.1893    0.0000 C   0  0
   -7.7381    3.4348    0.0000 O   0  0
   -5.1395    3.4429    0.0000 N   0  0
   -5.1339    1.9421    0.0000 C   0  0
   -6.4286    1.1846    0.0000 C   0  0
   -6.4199   -0.3154    0.0000 C   0  0
   -5.1165   -1.0578    0.0000 C   0  0
   -3.8218   -0.3003    0.0000 O   0  0
   -3.8305    1.1997    0.0000 C   0  0
   -2.5335    1.9549    0.0000 O   0  0
   -1.2300    1.2100    0.0000 C   0  0
    0.0200    1.9600    0.0000 C   0  0
    1.3400    1.1800    0.0000 C   0  0
    1.3400   -0.2600    0.0000 C   0  0
    0.0200   -1.0300    0.0000 C   0  0
   -1.2300   -0.2800    0.0000 C   0  0
   -2.5000   -1.0300    0.0000 O   0  0
   -2.5000   -2.5900    0.0000 C   0  0
   -3.8000   -3.3200    0.0000 C   0  0
   -3.8000   -4.8800    0.0000 C   0  0
   -2.3700   -5.7000    0.0000 C   0  0
   -1.1100   -4.8400    0.0000 C   0  0
   -1.1200   -3.3200    0.0000 C   0  0
   -2.4200   -7.1700    0.0000 C   0  0
   -0.7400   -7.9200    0.0000 C   0  0
   -0.7900   -9.1700    0.0000 C   0  0
   -1.6587   -9.6653    0.0000 O   0  0
    0.4900   -9.8600    0.0000 N   0  0
    1.7900   -9.2500    0.0000 C   0  0
    3.0100  -10.0600    0.0000 C   0  0
    2.9600  -11.6300    0.0000 C   0  0
    4.3400  -12.2800    0.0000 C   0  0
    5.5200  -11.6300    0.0000 C   0  0
    5.5200   -9.9000    0.0000 C   0  0
    4.2300   -9.3000    0.0000 C   0  0
    4.1900   -7.7800    0.0000 C   0  0
    5.4400   -6.9200    0.0000 C   0  0
    5.4100   -5.2900    0.0000 C   0  0
    4.1500   -4.6700    0.0000 C   0  0
    2.8000   -5.5400    0.0000 C   0  0
    2.8500   -7.0800    0.0000 C   0  0
    1.5000   -4.8800    0.0000 C   0  0
    0.2800   -5.7000    0.0000 C   0  0
   -0.6150   -5.2540    0.0000 O   0  0
    0.3600   -7.1700    0.0000 N   0  0
    1.4200   -3.4000    0.0000 N   0  0
    2.6400   -2.5900    0.0000 C   0  0
    3.9618   -3.2990    0.0000 O   0  0
    2.6400   -0.9500    0.0000 C   0  0
    3.8300   -0.1000    0.0000 N   0  0
    3.8300    4.0400    0.0000 C   0  0
    5.3300    4.0511    0.0000 O   0  0
    3.7800    7.4300    0.0000 C   0  0
    5.0000    8.2600    0.0000 C   0  0
    5.0300    9.8400    0.0000 C   0  0
    6.0600   10.6400    0.0000 C   0  0
    7.6200    9.9700    0.0000 C   0  0
    7.6200    8.5100    0.0000 C   0  0
    6.4000    7.6100    0.0000 C   0  0
    8.9590    7.8339    0.0000 O   0  0
    6.0900   12.1400    0.0000 O   0  0
    6.1400   13.6700    0.0000 C   0  0
    7.4600   14.4800    0.0000 C   0  0
    7.4600   16.0500    0.0000 C   0  0
    6.1400   16.8000    0.0000 C   0  0
    4.7900   15.9800    0.0000 C   0  0
    4.8400   14.4000    0.0000 C   0  0
    3.1900   15.9800    0.0000 C   0  0
    2.5600   14.5600    0.0000 C   0  0
    3.7667   13.6691    0.0000 O   0  0
    1.0900   13.2800    0.0000 N   0  0
    1.0900   10.2200    0.0000 C   0  0
    0.0000    9.4000    0.0000 C   0  0
    0.0000    7.9400    0.0000 C   0  0
    1.3000    7.2400    0.0000 C   0  0
    1.3400    5.6900    0.0000 C   0  0
    0.0200    4.9100    0.0000 C   0  0
    0.0200    3.4200    0.0000 O   0  0
   -1.2800    5.6100    0.0000 C   0  0
   -1.2800    7.1100    0.0000 C   0  0
    2.6523    4.9634    0.0000 Cl  0  0
    2.3900    9.5600    0.0000 C   0  0
    3.6436   10.3837    0.0000 O   0  0
    2.4800    8.1000    0.0000 N   0  0
    2.3722   17.2375    0.0000 N   0  0
    8.7690   13.7475    0.0000 O   0  0
    6.7740   -7.6059    0.0000 O   0  0
    6.7461   -9.0379    0.0000 O   0  0
    8.1087   -9.6671    0.0000 C   0  0
    9.3367   -8.8058    0.0000 C   0  0
   10.6967   -9.4385    0.0000 C   0  0
   10.8287  -10.9327    0.0000 C   0  0
    9.6008  -11.7941    0.0000 C   0  0
    8.2407  -11.1614    0.0000 O   0  0
    9.7298  -13.2894    0.0000 C   0  0
    8.5006  -14.1491    0.0000 O   0  0
   12.1887  -11.5654    0.0000 O   0  0
   11.9246   -8.5770    0.0000 O   0  0
    9.2046   -7.3116    0.0000 O   0  0
    4.3875  -13.7792    0.0000 O   0  0
    1.8893   -7.7517    0.0000 C   0  0
    1.0586   -7.1951    0.0000 O   0  0
    2.7866   -7.3102    0.0000 O   0  0
   -3.7267   -7.9010    0.0000 O   0  0
   -3.7500   -9.4017    0.0000 C   0  0
   -5.0583  -10.1354    0.0000 C   0  0
   -5.0771  -11.6353    0.0000 C   0  0
   -3.7876  -12.4015    0.0000 C   0  0
   -2.4792  -11.6678    0.0000 C   0  0
   -2.4604  -10.1680    0.0000 O   0  0
   -1.1874  -12.4318    0.0000 C   0  0
    0.1199  -11.6963    0.0000 O   0  0
   -3.8064  -13.9014    0.0000 O   0  0
   -6.3855  -12.3689    0.0000 O   0  0
   -6.3501   -9.3714    0.0000 N   0  0
   -7.6581  -10.1073    0.0000 C   0  0
   -8.9493   -9.3438    0.0000 O   0  0
   -7.6743  -11.6072    0.0000 C   0  0
   -4.6630   -2.8149    0.0000 Cl  0  0
   -5.1047   -2.5586    0.0000 C   0  0
   -5.9665   -3.0659    0.0000 O   0  0
   -7.7146   -1.0729    0.0000 O   0  0
   -7.7319    1.9271    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 20  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  3
 28 29  1  0
 29 30  2  3
 30 31  1  0
 31 32  2  3
 32 27  1  0
 30 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  2  3
 40 41  1  0
 41 42  2  3
 42 43  1  0
 43 44  2  3
 44 39  1  0
 44 45  1  0
 45 46  2  3
 46 47  1  0
 47 48  2  3
 48 49  1  0
 49 50  2  3
 50 45  1  0
 49 51  1  0
 51 52  1  0
 52 53  2  0
 52 54  1  0
 54 34  1  0
 51 55  1  0
 55 56  1  0
 56 57  2  0
 56 58  1  0
 58 23  1  0
 58 59  1  0
 59 60  1  0
 60 61  2  0
 60 62  1  0
 62 63  1  0
 63 64  2  3
 64 65  1  0
 65 66  2  3
 66 67  1  0
 67 68  2  3
 68 63  1  0
 67 69  1  0
 65 70  1  0
 70 71  1  0
 71 72  2  3
 72 73  1  0
 73 74  2  3
 74 75  1  0
 75 76  2  3
 76 71  1  0
 75 77  1  0
 77 78  1  0
 78 79  2  0
 78 80  1  0
 80 81  1  0
 81 82  1  0
 82 83  1  0
 83 84  2  3
 84 85  1  0
 85 86  2  3
 86 87  1  0
 87 21  1  0
 86 88  1  0
 88 89  2  3
 89 83  1  0
 85 90  1  0
 81 91  1  0
 91 92  2  0
 91 93  1  0
 93 62  1  0
 77 94  1  0
 72 95  1  0
 46 96  1  0
 43 97  1  0
 97 98  1  0
 98 99  1  0
 99100  1  0
100101  1  0
101102  1  0
102103  1  0
103 98  1  0
102104  1  0
104105  1  0
101106  1  0
100107  1  0
 99108  1  0
 41109  1  0
 38110  1  0
110111  2  0
110112  1  0
 33113  1  0
113114  1  0
114115  1  0
115116  1  0
116117  1  0
117118  1  0
118119  1  0
119114  1  0
118120  1  0
120121  1  0
117122  1  0
116123  1  0
115124  1  0
124125  1  0
125126  2  0
125127  1  0
 28128  1  0
 16129  1  0
129130  1  0
 15131  1  0
 14132  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12416

> <plate>
PLATE 019

> <well>
C6

> <supplier_cmpd_name>
Teicoplanin

> <ctcr_id>
11181

> <supplier_cmpd_id>
T0967

> <smiles>
CCCCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=CC(=CC(=C7C8=C(C=CC(=C8)C(C(=O)N6)NC(=O)C4NC(=O)C9C1=CC(=CC(=C1)O)OC1=C(C=CC(=C1)C(C(=O)NC(CC1=CC(=C(O3)C=C1)Cl)C(=O)N9)N)O)O)OC1C
(C(C(C(O1)CO)O)O)O)O)C(=O)O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)Cl)CO)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{61036-62-2,61036622,"Teicoplanin A2-3","Teicoplanin A23","Teicoplanin complex",MFCD05664625,AS-35099,AS35099,FT-0652101,FT0652101,T0967,Teicoplanin}

> <pdid>
PD044176

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{16170201}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 F   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 F   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.0569   -6.4579    0.0000 C   0  0
   -0.5569   -6.4578    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -6.4994   -0.7568    0.0000 Cl  0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 N   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -3.9014    3.7433    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 13  1  0
  8 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12417

> <plate>
PLATE 019

> <well>
C7

> <supplier_cmpd_name>
Roflumilast

> <ctcr_id>
1613

> <supplier_cmpd_id>
T1024

> <smiles>
FC(F)Oc1ccc(cc1OCC2CC2)C(=O)Nc3c(Cl)cncc3Cl

> <pd_targets>
{PDE4B,PDE4A,PDE4C,PDE4D,PDEB1}

> <pathway_gtopdb>
{Enzyme,Phosphodiesterase,"Phosphodiesterase 4","Phosphodiesterase 4B","Phosphodiesterase 4A","Phosphodiesterase 4D","Phosphodiesterase 4C"}

> <pathway_chembl>
{Enzymes,"Cyclic nucleotide turnover/signalling",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (i) signalling events","Opioid Signalling","DARPP-32 events"}

> <broad_targets>
{PDE4A,PDE4B,PDE4C,PDE4D}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{Roflumilast,162401-32-3,162401323,DAXAS,Daliresp,BY217,BYK20869,UNII-0P6C6ZOP5U,UNII0P6C6ZOP5U,B9302-107,B9302107,"BY 217",BY-217,"Roflumilast (Daxas)",0P6C6ZOP5U,CHEMBL193240,CHEBI:47657,Roflumilast
-d3,Roflumilastd3,Roflumilast-d4,Roflumilastd4,BYK-20869,"B 9302-107","B 9302107",ROF,Libertek,"Roflumilast (USAN:INN)",rofl,T1024,S2131}

> <pdid>
PD009434

> <targets>
{PDE,Phosphodiesterase (PDE),RSV}

> <classes>
{Metabolism,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{449193}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    4.2566    0.5871    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.8082   -4.6653    0.0000 C   0  0
    5.4162   -6.0366    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    6.4430   -1.8405    0.0000 S   0  0
    7.3249   -3.0538    0.0000 O   0  0
    7.0537   -0.4695    0.0000 C   0  0
    8.5454   -0.3119    0.0000 F   0  0
    7.6633    0.9011    0.0000 F   0  0
    6.1718    0.7439    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   -2.5988    1.5004    0.0000 C   0  0
   -2.5998    3.0004    0.0000 F   0  0
   -3.8976    0.7500    0.0000 F   0  0
   -3.8982    2.2498    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  3  0
  5  8  1  0
  8  2  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  3 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
 19 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12418

> <plate>
PLATE 019

> <well>
C8

> <supplier_cmpd_name>
Fipronil

> <ctcr_id>
1747

> <supplier_cmpd_id>
T2196

> <smiles>
Nc1n(nc(C#N)c1[S](=O)C(F)(F)F)c2c(Cl)cc(cc2Cl)C(F)(F)F

> <pd_targets>
{GABRB3,RORC,RDL,GABRA1,GABRB1,GABRG2,CYP3A4,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB2,GABRD,GABRE,GABRG1,GABRG3,GABRP,GABRQ,LMNA}

> <pathway_gtopdb>
{"Ion channel","Transcription factor",Enzyme,"Other nuclear protein","Ligand-gated ion channel","Nuclear receptor","Cytochrome P450","GABA-A receptor","Nuclear hormone receptor subfamily 1","Cytochrom
e P450 family 3","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4"}

> <pathway_chembl>
{"Ion channels",Receptors,Enzymes,"Ligand-gated ion channels","Nuclear hormone receptors","Cytochrome P450","GABA<sub>A</sub> receptors","1F. Retinoic acid-related orphans","CYP3 family"}

> <pathway_reactome>
{"Neuronal System","Gene expression (Transcription)",Metabolism,"Cell Cycle","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Metabolism of lipids",Mitotic,"Neurotransmitter 
receptors and postsynaptic signal transmission","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","GABA receptor activation","Transcriptional regula
tion by RUNX3","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Mitotic Anaphase","Biosynthesis of m
aresin-like SPMs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"chloride channel blocker","GABA gated chloride channel blocker"}

> <synonyms>
{fipronil,SMR000777967,SBI-0206839.P001,SBI0206839.P001,"SBI 0206839.P001",DB-041522,DB041522,"DB 041522",CS-0012838,CS0012838,"CS 0012838",F0822,"Fipronil, PESTANAL(R), analytical standard",FT-063109
7,FT0631097,"FT 0631097",C11099,D01042,K-1417,K1417,K,T2196,1505354,Fipronil,FIPRONIL}

> <pdid>
PD000917

> <targets>
{Cytochrome P450,GABA Receptor}

> <classes>
{antiparasitic,GABA Cl channel agonist,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{3352}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 S   0  0
    2.5993    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 C   0  0
    1.3000   -0.7500    0.0000 O   0  0
   12.2658   -3.6098    0.0000 C   0  0
   13.0179   -2.3120    0.0000 C   0  0
   11.5970   -2.3554    0.0000 C   0  0
   10.2973   -1.6051    0.0000 N   0  0
   10.2973   -0.1050    0.0000 C   0  0
   11.5963    0.6450    0.0000 C   0  0
   11.5963    2.1450    0.0000 C   0  0
   10.2972    2.8950    0.0000 C   0  0
    8.9982    2.1449    0.0000 C   0  0
    8.9982    0.6449    0.0000 C   0  0
    7.6992   -0.1051    0.0000 C   0  0
    6.4001    0.6449    0.0000 O   0  0
    7.6992   -1.6051    0.0000 C   0  0
    8.9982   -2.3551    0.0000 C   0  0
    6.4010   -2.3582    0.0000 C   0  0
    6.4031   -3.8582    0.0000 O   0  0
    5.1006   -1.6104    0.0000 O   0  0
   10.2972    4.3950    0.0000 F   0  0
   12.8960    2.8954    0.0000 N   0  0
   14.1882    3.0433    0.0000 C   0  0  2  0  0  0
   15.4596    2.5003    0.0000 C   0  0
   16.2883    3.6016    0.0000 N   0  0
   15.1223    4.1086    0.0000 C   0  0  2  0  0  0
   13.6697    3.9489    0.0000 C   0  0
   14.4953    5.3590    0.0000 C   0  0
   17.7388    3.9840    0.0000 C   0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  6  7  1  0
  7  8  1  0
  8  6  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19  9  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 13 23  1  0
 12 24  1  0
 24 25  1  0
 25 26  1  1
 26 27  1  0
 27 28  1  0
 28 29  1  6
 29 24  1  0
 28 30  1  0
 30 25  1  0
 27 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12419

> <plate>
PLATE 019

> <well>
C9

> <supplier_cmpd_name>
Danofloxacin mesylate

> <ctcr_id>
11182

> <supplier_cmpd_id>
T1276

> <smiles>
O=S(=O)(C)O.C1CC1n1c2cc(c(cc2c(=O)c(c1)C(=O)O)F)N1[C@@H]2CN([C@H](C1)C2)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{"Danofloxacin mesylate",119478-55-6,119478556,"Danofloxacin (mesylate)",UNII-94F3SX3LEM,UNII94F3SX3LEM,"DANOFLOXACIN MESILATE",94F3SX3LEM,"Danofloxacin mesylate (USAN)","119478-55-6 (mesylate)","1194
78556 (mesylate)","CP-76,136-27","CP76,13627",Advocin,CP-76136-27,CP7613627,"Advocid (TN)","CP 76",136-2,1362,T1276}

> <pdid>
PD014701

> <targets>
{DNA-gyrase}

> <classes>
{"DNA Damage/DNA Repair"}

> <pubchem_cids>
{71334}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 12  0  0  0  0            999 V2000
   11.5000    0.7585    0.0000 Na  0  3
    9.0000    0.7585    0.0000 Na  0  3
    1.2993   -2.2504    0.0000 N   0  0
    2.5986   -1.5008    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 P   0  0
    6.4989   -0.7502    0.0000 O   0  0
    5.2000   -1.5000    0.0000 O   0  5
    6.4992    0.7496    0.0000 O   0  0
    2.5761    1.5169    0.0000 P   0  0
    1.2777    2.2681    0.0000 O   0  0
    1.2762    0.7683    0.0000 O   0  5
    2.5773    3.0169    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  2  0
  6 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  2  0
M  CHG  4   1   1   2   1  10  -1  14  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12420

> <plate>
PLATE 019

> <well>
C10

> <supplier_cmpd_name>
Pamidronate disodium salt

> <ctcr_id>
11183

> <supplier_cmpd_id>
T1337

> <smiles>
[Na+].[Na+].NCCC(O)(P(O)([O-])=O)P(O)([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"PAMIDRONATE DISODIUM",57248-88-1,57248881,Aredia,Aminomux,"Disodium pamidronate","CGP 23339A","Pamidronic acid disodium salt","Pamidronate disodium salt",UNII-C7S8VWP5DH,UNIIC7S8VWP5DH,"Pamidronate 
(Disodium)",C7S8VWP5DH,"Disodium 3-amino-1-hydroxypr","Disodium 3amino1hydroxypr",T1337}

> <pdid>

> <targets>
{HAP,FPPS}

> <classes>
{Microbiology&Virology,Others}

> <pubchem_cids>
{73351}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 24  0  0  1  0            999 V2000
    2.9890    5.0368    0.0000 C   0  0  2  0  0  0
    4.4475    4.6864    0.0000 C   0  0
    4.5650    3.1911    0.0000 C   0  0
    3.1884    2.6409    0.0000 C   0  0  1  0  0  0
    2.2051    3.7579    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.9792   -5.0003    0.0000 C   0  0
   -2.7246   -3.6987    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
    2.4187    6.4223    0.0000 C   0  0
    3.3337    7.6109    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  1  1  0
  4  6  1  6
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  6  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 16  1  0
 12 19  1  0
  1 20  1  6
 20 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12421

> <plate>
PLATE 019

> <well>
C11

> <supplier_cmpd_name>
Abacavir

> <ctcr_id>
11184

> <supplier_cmpd_id>
T1267

> <smiles>
[C@H]1(C=C[C@@H](C1)n1cnc2c1nc(nc2NC1CC1)N)CO

> <pd_targets>
{POL,"REVERSE TRANSCRIPTASE",ALB}

> <pathway_gtopdb>
{Enzyme,"Secreted protein",Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of steroids","Bile acid and bile salt metabolism","Recycling of bile acids and salts"}

> <broad_targets>
{}

> <broad_moa>
{"nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{abacavir,136470-78-5,136470785,Ziagen,UNII-WR2TIP26VS,UNIIWR2TIP26VS,1592U89,CHEBI:421707,WR2TIP26VS,"136470-78-5 (free base)","136470785 (free base)",MFCD00903850,ABC,"Abacavir (INN)",(+/-)-Abacavir
,(+/)Abacavir,"Abacavir (INN:BAN)",NSC742406,"Ziagen (TM)(*Succinate salt*)",NCGC00164560-01,NCGC0016456001,136777-48-5,136777485,Epi,T1267,Abacavir}

> <pdid>
PD009146

> <targets>
{"HIV-1 reverse-transcriptase"}

> <classes>
{Microbiology&Virology,Proteases/Proteasome}

> <pubchem_cids>
{441300}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 39  0  0  1  0            999 V2000
    2.2703   -4.0022    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    0.5000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -1.1612   -2.6174    0.0000 O   0  0
   -2.2130   -3.6880    0.0000 C   0  0
   -1.8114   -5.1333    0.0000 O   0  0
   -3.6663   -3.3134    0.0000 C   0  0
   -4.8038   -4.2715    0.0000 O   0  0
   -6.0678   -3.4640    0.0000 C   0  0
   -5.6905   -2.0122    0.0000 C   0  0
   -4.1931   -1.9226    0.0000 C   0  0
    0.7499   -4.3804    0.0000 C   0  0
    1.7256   -4.5995    0.0000 O   0  0
   -0.2668   -5.4844    0.0000 C   0  0
    0.1798   -6.9164    0.0000 Cl  0  0
  2  1  1  1
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  6
 14 16  1  0
 16  5  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 21  4  1  0
 21 22  1  6
 21 23  1  0
 23  2  1  0
 23 24  1  1
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 27  2  0
 23 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12422

> <plate>
PLATE 019

> <well>
D2

> <supplier_cmpd_name>
Mometasone furoate

> <ctcr_id>
6461

> <supplier_cmpd_id>
T1531

> <smiles>
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c5occc5)C(=O)CCl

> <pd_targets>
{NR3C1,AMPC,PGR,SLCO1B3,SLCO1B1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transporter,"Nuclear receptor",Hydrolase,"Electrochemical transporter","Nuclear hormone receptor subfamily 3","SLC superfamily of solute carriers","Nuclear hormone recep
tor subfamily 3 group C","SLC21/SLCO family of organic anion transporting polypeptides","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 3 group C member 3"}

> <pathway_chembl>
{Receptors,Transporters,"Nuclear hormone receptors","SLC superfamily of solute carriers","Steroid hormone receptors","SLCO family of organic anion transporting polypeptides","3C. 3-Ketosteroid recepto
rs"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins",Metabolism,"RNA Polymerase II Transcription","Post-translational protein modification","Metabolism of lipids","Generic Transcription Pathway
",SUMOylation,"Metabolism of steroids","FOXO-mediated transcription","SUMO E3 ligases SUMOylate target proteins","Bile acid and bile salt metabolism","FOXO-mediated transcription of oxidative stress",
"metabolic and neuronal genes","SUMOylation of intracellular receptors","Recycling of bile acids and salts"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{RESTW57,"mometasone furoate",83919-23-7,83919237,Nasonex,"Mometasone fuorate","mometasone 17-furoate","mometasone 17furoate","Sch 32088",UNII-04201GDN4R,UNII04201GDN4R,Asmanex,CHEMBL1161,CHEBI:47564,
04201GDN4R,Danitin,Ecural,Elomet,DSSTox_CID_3333,DSSToxCID3333,DSSTox-CID-3333,"DSSTox CID 3333","Asmanex Twisthaler",DSSTox_RID_76981,DSSToxRID76981,DSSTox-RID-76981,"DSSTox RID 76981",DSSTox_GSID_2,
DSSToxGSID2,DSSTox-GSID-2,"DSSTox GSID 2",T1531,Prestw-572,"Mometasone furoate"}

> <pdid>
PD000908

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{441336}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 35  0  0  1  0            999 V2000
   18.0927   -3.3779    0.0000 O   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    7.7928   -6.0048    0.0000 C   0  0
    7.7953   -7.5048    0.0000 O   0  0
    9.0914   -5.2526    0.0000 N   0  0
   10.3927   -6.0004    0.0000 C   0  0  1  0  0  0
   11.6914   -5.2481    0.0000 C   0  0
   12.9927   -5.9959    0.0000 C   0  0
   14.2914   -5.2437    0.0000 C   0  0
   14.2888   -3.7437    0.0000 O   0  0
   15.5920   -5.9910    0.0000 O   0  0
   10.3984   -7.5012    0.0000 C   0  0
    9.1020   -8.2557    0.0000 O   0  0
   11.6998   -8.2471    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15  8  1  0
 15 16  2  0
 16  5  1  0
  3 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 23 25  1  0
 26 25  1  1
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 26 32  1  0
 32 33  1  0
 32 34  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12423

> <plate>
PLATE 019

> <well>
D3

> <supplier_cmpd_name>
Methotrexate

> <ctcr_id>
2727

> <supplier_cmpd_id>
T1485

> <smiles>
O.CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O

> <pd_targets>
{SKA,DFRA17,CASP1,DFRA,DHFR,FOLA,THYA,APE1,PTR1,KDM4E,CASP7,MAPT,HMGB1,KMT2A,MEN1,HSD17B10,TDP1,ALDH1A1,TP53,TYMS,LMNA,FFP,APEX1,SLC19A1,BLM,GLA,ALOX15,POLB,HPGD,LMP1,NCOA3,FOLR2,FPGS,SLC46A1,ABCC3,FO
LR1,ATIC,GART}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Unclassified protein","Transcription factor","Other nuclear protein",Transporter,"Membrane receptor",Kinase,Oxidoreductase,Protease,Transferas
e,Eraser,Reader,Hydrolase,"Electrochemical transporter",Writer,Ligase,"Primary active transporter","Cysteine protease","Metallo protease","Lysine demethylase",Bromodomain,"SLC superfamily of solute ca
rriers","Histone acetyltransferase","ATP-binding cassette","Cysteine protease CD clan","Metallo protease MH clan","Jumonji domain-containing","SLC19 family of vitamin transporters","SRC family","SLC46
 family of folate transporters","ABCC subfamily","Cysteine protease C14 family","Metallo protease M18 family"}

> <pathway_chembl>
{Enzymes,Transporters,"Peptidases and proteinases","1.-.-.- Oxidoreductases","Chromatin modifying enzymes","2.1.1.- Methyltransferases","SLC superfamily of solute carriers","Eicosanoid turnover","ATP-
binding cassette transporter family","CD: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","SLC19 family of vitamin transporters",Lipoxygenases,"Prostaglandin synthases","2.3.1.48 Histone ace
tyltransferases (HATs)","SLC46 family of folate transporters","ABCC subfamily","C14: Caspase"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","Programmed Cell Death","Neuronal System","Immune System",Metabolism,"DNA Repair","Metabolism of proteins","RNA Polymerase II Transcription",Mitotic,Apo
ptosis,"Transmission across Chemical Synapses","Innate Immune System","Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Biological oxidations","Cell Cycle Checkpoints","Bas
e Excision Repair","Metabolism of vitamins and cofactors","Metabolism of lipids","Post-translational protein modification","Metabolism of nucleotides","Generic Transcription Pathway","Mitotic G1 phase
 and G1/S transition","Intrinsic Pathway for Apoptosis","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor Cascades","Branched-chain amino acid catabolism","Nonhomol
ogous End-Joining (NHEJ)","Phase I - Functionalization of compounds","G1/S DNA Damage Checkpoints","M Phase","Resolution of Abasic Sites (AP sites)","Metabolism of water-soluble vitamins and cofactors
","Homology Directed Repair","Sphingolipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Regulation of lipid metabolism by PPARalpha","Metabolism of steroids","Asparagine N-
linked glycosylation","Nucleobase biosynthesis","Transcriptional Regulation by TP53","G1/S Transition","Apoptotic factor-mediated response","Activation of NMDA receptors and postsynaptic events","Toll
 Like Receptor 5 (TLR5) Cascade","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement p
athway","Metabolism of folate and pterines","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Glycosphingolipid metabolism","Biosynthesis of DPA-derived SPMs","Biosynthesi
s of DHA-derived SPMs","PPARA activates gene expression","Bile acid and bile salt metabolism","Transport to the Golgi and subsequent modification","Purine ribonucleoside monophosphate biosynthesis","T
P53 Regulates Transcription of Cell Death Genes","G1/S-Specific Transcription","Cytochrome c-mediated apoptotic response","Post NMDA receptor activation events","MyD88 cascade initiated on plasma memb
rane","p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","HDR through Homologous Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Biosynthesi
s of D-series resolvins","Recycling of bile acids and salts","ER to Golgi Anterograde Transport","TP53 Regulates Transcription of Caspase Activators and Caspases","Activation of caspases through apopt
osome-mediated cleavage","Activation of AMPK downstream of NMDARs","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Ho
mologous DNA Pairing and Strand Exchange","Biosynthesis of DPAn-3-derived protectins and resolvins","Cargo concentration in the ER","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuc
lear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{DHFR}

> <broad_moa>
{"dihydrofolate reductase inhibitor"}

> <synonyms>
{"Methotrexate hydrate","Methotrexate monohydrate",133073-73-1,133073731,"Methotrexate hydrate(1:x)","Methotrexate xhydrate",6745-93-3,6745933,UNII-84DMZ3IHO0,UNII84DMZ3IHO0,84DMZ3IHO0,MLS001401431,MF
CD00150847,"L-Amethopterin hydrate","LAmethopterin hydrate",SMR000449324,Abitrexate(Methotrexate)/,M,T1485,SAM001246985,Methotrexate,CPD000449324}

> <pdid>
PD002823

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{165528}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 30  0  0  0  0            999 V2000
    7.5987    6.0114    0.0000 H   0  3
    5.0987    6.0114    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 N   0  0
   -2.5917    6.0086    0.0000 C   0  0
   -2.5912    7.5095    0.0000 C   0  0
   -1.2924    8.2599    0.0000 O   0  0
   -5.1894    6.0109    0.0000 C   0  0
   -5.1873    7.5117    0.0000 C   0  0
   -6.4855    8.2648    0.0000 C   0  0
   -6.4834    9.7656    0.0000 C   0  0
   -7.7798   10.5202    0.0000 C   0  0
   -7.7746   12.0202    0.0000 C   0  0
   -6.4730   12.7657    0.0000 C   0  0
   -5.1765   12.0112    0.0000 C   0  0
   -5.1817   10.5112    0.0000 C   0  0
   -6.4647   14.2665    0.0000 N   0  3
   -7.7598   15.0232    0.0000 O   0  5
   -5.1620   15.0102    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 22 25  1  0
 25 26  1  0
 25 27  2  0
  8 28  1  0
 28 29  1  0
 28 30  1  0
 30  4  1  0
 30 31  2  0
M  CHG  4   1   1   2  -1  25   1  26  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12424

> <plate>
PLATE 019

> <well>
D4

> <supplier_cmpd_name>
Nifekalant hydrochloride

> <ctcr_id>
516

> <supplier_cmpd_id>
T2712

> <smiles>
[H+].[Cl-].CN1C(=O)C=C(NCCN(CCO)CCCc2ccc(cc2)[N+]([O-])=O)N(C)C1=O

> <pd_targets>
{KCNH2,SLC47A2,SLC47A1,SLC22A2}

> <pathway_gtopdb>
{"Ion channel",Transporter,"Voltage-gated ion channel","Electrochemical transporter","Potassium channels","SLC superfamily of solute carriers","Voltage-gated potassium channel","SLC47 family of multid
rug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters"}

> <pathway_chembl>
{"Ion channels",Transporters,"Voltage-gated ion channels","SLC superfamily of solute carriers","Potassium channels","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organi
c cation and anion transporters","Voltage-gated potassium channels","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Muscle contraction","Transport of small molecules","Cardiac conduction","SLC-mediated transmembrane transport","Phase 3 - rapid repolarisation","Transport of bile salts and organic acids","metal ion
s and amine compounds","Organic cation/anion/zwitterion transport","Organic cation transport"}

> <broad_targets>
{}

> <broad_moa>
{"potassium channel blocker"}

> <synonyms>
{"Nifekalant hydrochloride",130656-51-8,130656518,nifekalant,"NIFEKALANT HCl","MS 551",MS-551,MS551,UNII-TPP5R0MDQS,UNIITPP5R0MDQS,TPP5R0MDQS,130636-43-0,130636430,Shinbit,DSSTox_CID_26495,DSSToxCID26
495,DSSTox-CID-26495,"DSSTox CID 26495",DSSTox_RID_81665,DSSToxRID81665,DSSTox-RID-81665,"DSSTox RID 81665",DSSTox_GSID_46495,DSSToxGSID46495,DSSTox-GSID-46495,"DSSTox GSID 46495",SMR000466369,CAS-130
636-43-0,CAS130636430,NCGC00164637-01,NCGC0016463701,"Shinbit (TN)",T2712,SAM001246717,CPD000466369}

> <pdid>
PD013077

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{122188,57516083}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 25  0  0  0  0            999 V2000
    8.8982    0.0000    0.0000 H   0  3
    6.3982    0.0000    0.0000 Cl  0  5
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -1.2948    3.7516    0.0000 O   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2570    0.0000 C   0  0
   -5.1912    4.5090    0.0000 C   0  0
   -5.1937    3.0092    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2948   -3.7517    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2570    0.0000 C   0  0
   -5.1912   -4.5091    0.0000 C   0  0
   -5.1937   -3.0093    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 11 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 19 27  2  0
 27  8  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12425

> <plate>
PLATE 019

> <well>
D5

> <supplier_cmpd_name>
Dipivefrin hydrochloride

> <ctcr_id>
3588

> <supplier_cmpd_id>
T0103

> <smiles>
[H+].[Cl-].CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1

> <pd_targets>
{ADRB2,AMPC,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,ADRB3,BCHE,ACHE}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Family A G protein-coupled receptor",Hydrolase,"Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Acetylcholine turnover",Adrenoceptors}

> <pathway_reactome>
{Disease,"Signal Transduction",Metabolism,"Infectious disease","Signaling by GPCR","Metabolism of lipids","Leishmania infection","GPCR ligand binding","Phospholipid metabolism","Leishmania parasite gr
owth and survival","Class A/1 (Rhodopsin-like receptors)","Glycerophospholipid biosynthesis","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Synt
hesis of PC","ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors}

> <broad_targets>
{}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{RESTW63,AKOS026749790,"Dipivefrin hydrochloride",64019-93-8,64019938,"Dipivefrine hydrochloride","Dipivefrin HCL","Dipivefrin (hydrochloride)","Dipivefrine (hydrochloride)",CHEBI:4647,"64019-93-8 (HC
l)","64019938 (HCl)",AKPro,"Dipivalyl epinephrine hydrochloride","EINECS 264-60","EINECS 26460",T0103,Prestw-632}

> <pdid>
PD010021

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{46878361,68494912,71486}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6929   -4.0817    0.0000 C   0  0
    0.3385   -5.5341    0.0000 C   0  0
    1.4233   -6.5700    0.0000 C   0  0
    2.8629   -6.1484    0.0000 C   0  0
    3.9505   -7.1827    0.0000 O   0  0
    5.3902   -6.7589    0.0000 C   0  0
    6.4787   -7.7910    0.0000 C   0  0
    7.9168   -7.3644    0.0000 C   0  0
    8.2664   -5.9057    0.0000 C   0  0
    7.1780   -4.8736    0.0000 C   0  0
    5.7399   -5.3001    0.0000 C   0  0
    3.2176   -4.6910    0.0000 C   0  0
    2.1327   -3.6551    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.4481   -0.0574    0.0000 C   0  0
   -5.9346    0.1432    0.0000 C   0  0
   -6.8516   -1.0439    0.0000 C   0  0
   -6.2821   -2.4315    0.0000 N   0  0
   -4.7955   -2.6322    0.0000 C   0  0
   -7.1971   -3.6212    0.0000 C   0  0
   -8.6840   -3.4231    0.0000 O   0  0
   -6.6253   -5.0088    0.0000 C   0  0
   -7.5399   -6.1977    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 13 21  1  0
 21 22  2  0
 22 10  1  0
  9 23  1  0
 23  2  1  0
 23  6  2  0
  7 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 28 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12426

> <plate>
PLATE 019

> <well>
D6

> <supplier_cmpd_name>
Ibrutinib

> <ctcr_id>
20

> <supplier_cmpd_id>
T1835

> <smiles>
Nc1ncnc2n(nc(c3ccc(Oc4ccccc4)cc3)c12)C5CCCN(C5)C(=O)C=C

> <pd_targets>
{ITK,TEC,ERBB4,FGR,FYN,ABL1,CSK,JAK3,BLK,BTK,EGFR,BMX,ERBB2,LYN,YES1,PTK6,CYP2C8,GSC2,CYP2C19,LCK,RET,CYP3A4,FRK,HCK,SRC,CYP2B6,FGFR2,CYP2C9,FER,KCNH2,TXK,PRXL2A}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein",Kinase,"Cytochrome P450",Transferase,"Voltage-gated ion channel","Protein Kinase","Cytochrome P450 family 2","Cytochrome P450 family 3","Potassium channels
","TK protein kinase group","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 2B","Voltage-gated potassium channel","Tyrosine protein kinase Tec family","Tyrosine protein
 kinase EGFR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Csk family","Tyrosine protein kinase JakA family","Cytochrome P450 2C8","Cytochr
ome P450 2C19","Tyrosine protein kinase Ret family","Cytochrome P450 3A4","Cytochrome P450 2B6","Tyrosine protein kinase FGFR family","Cytochrome P450 2C9","Tyrosine protein kinase Fer family","Tyrosi
ne protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Cytochrome P450","Voltage-gated ion channels","Receptor kinases","CYP2 family: drug metabolising subset","CYP3 family","Potassium channels","TK
: Tyrosine kinase","Voltage-gated potassium channels","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Tec family","Type I RTKs: ErbB (epidermal growth factor) receptor fami
ly","Src family","Abl family","Csk family","Janus kinase (JakA) family","Type XIV RTKs: RET","Type V RTKs: FGF (fibroblast growth factor) receptor family","Fer family"}

> <pathway_reactome>
{"Immune System","Neuronal System",Disease,"Gene expression (Transcription)","Signal Transduction",Metabolism,"Developmental Biology","Cell Cycle","Muscle contraction","Adaptive Immune System","Cytoki
ne Signaling in Immune system","Transmission across Chemical Synapses","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transc
ription","Signaling by GPCR","Metabolism of lipids","Nervous system development",Mitotic,"Biological oxidations","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases"
,"Cardiac conduction","Innate Immune System","TCR signaling","Signaling by Interleukins","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","HIV Infection","Oncog
enic MAPK signaling","Generic Transcription Pathway","GPCR downstream signalling","Phospholipid metabolism","Axon guidance","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compo
unds","Biosynthesis of specialized proresolving mediators (SPMs)","PIP3 activates AKT signaling","Signaling by NTRKs","Signaling by FGFR in disease","Signaling by SCF-KIT","Phase 3 - rapid repolarisat
ion","Fc epsilon receptor (FCERI) signaling","Generation of second messenger molecules",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Activation of NMDA receptors and postsynaptic events","Leish
mania parasite growth and survival","Host Interactions of HIV factors","Parasite infection","Signaling by RAS mutants","Interleukin-2 family signaling","Transcriptional regulation by RUNX1","G alpha (
q) signalling events","PI Metabolism","Semaphorin interactions","G1 Phase","Cytochrome P450 - arranged by substrate type","RET signaling","Biosynthesis of DHA-derived SPMs","PTEN Regulation","Signalin
g by NTRK1 (TRKA)","Signaling by FGFR2 in disease","FCERI mediated Ca+2 mobilization","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania parasite infection","The r
ole of Nef in HIV-1 replication and disease pathogenesis","Leishmania phagocytosis","Signaling downstream of RAS mutants","Interleukin-15 signaling","RUNX1 regulates transcription of genes involved in
 BCR signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Synthesis of PIPs at the plasma membrane","Sema4D in semaphorin signaling","Cyclin D associated events in G1",Xenobiotics,"Biosynthe
sis of maresins","Regulation of PTEN stability and activity","Signalling to ERKs","FGFR2 mutant receptor activation","Long-term potentiation","FCGR3A-mediated IL10 synthesis","Nef and signal transduct
ion","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","CYP2E1 reactions","Nef-mediates down modulation of cell surface receptor
s by recruiting them to clathrin adapters","Biosynthesis of maresin-like SPMs","Signalling to RAS","Activated point mutants of FGFR2","Nef Mediated CD4 Down-regulation","p38MAPK events"}

> <broad_targets>
{BLK,BMX,BTK}

> <broad_moa>
{"Bruton's tyrosine kinase (BTK) inhibitor"}

> <synonyms>
{"BRUTINIB (PCI32765","BRUTINIB (PCI 32765","PCI-32765 Racemate","PCI32765 Racemate","PCI 32765 Racemate",936563-87-0,936563870,"936563 87 0","PCI-32765 (Racemate)","PCI32765 (Racemate)","PCI 32765 (R
acemate)","Ibrutinib Racemate",S2680,ibrutinib,"Ibrutinib (PCI-32765)","PCI-32765 (Ibrutinib)"}

> <pdid>
PD003357

> <targets>
{Src,BTK}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{16126651}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    6.0921   -5.7983    0.0000 N   0  0
    6.7064   -4.4299    0.0000 C   0  0
    7.3211   -3.0607    0.0000 C   0  0
    6.4434   -1.8433    0.0000 C   0  0  1  0  0  0
    7.0565   -0.4733    0.0000 C   0  0
    6.3038    0.8093    0.0000 C   0  0
    7.3128    1.9192    0.0000 C   0  0
    8.6802    1.3025    0.0000 C   0  0
    8.5162   -0.1885    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  3  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 15  1  0
 23 19  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12427

> <plate>
PLATE 019

> <well>
D7

> <supplier_cmpd_name>
(R)-Ruxolitinib

> <ctcr_id>
7410

> <supplier_cmpd_id>
T1829

> <smiles>
N#CC[C@@H](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34

> <pd_targets>
{IKBKE,ABL1,JAK2,RET,MAP4K4,LCK,GRK5,GSK3A,AURKB,JAK3,DYRK1B,FGFR1,CSNK1A1,CDK8,NTRK2,ALK,PRKAA1,DYRK1A,TAOK1,DAPK3,CLK2,LTK,PTK2,ROCK1,FYN,LRRK2,TNK2,PAK4,GSK3B,PRKACA,CAMK1D,CAMK2A,NTRK3,AURKA,PRKD3
,CLK4,MAP3K2,IKBKB,GRK7,CAMK2G,KIT,DCLK2,RPS6KA6,MKNK2,JAK1,PRKCE,VRK2,PLK4,PAK5,MAP3K19,TYK2,BMPR1B,CDK7,NEK7,MAP2K4,TTK,BRAF,ROCK2,BMPR2,STK26,RIPK4,RIOK1,BMP2K,MAP4K2,HDAC6,PI4KB,MAP2K1,CASK,CAMK2D
,SBK1,DCLK3,ANKK1,NTRK1,ULK3,CSNK2A1,PKNB,GAK,SRPK3,ULK2,MAST1,TAOK2,MARK2,TAOK3,RIOK3,PLK3,EPHB6,DCLK1,OXSR1,MAPK8,GRK1,CAMK1,STK17B,DMPK,CAMK2B,ERN1,CSNK2A2,NEK3,HIPK1,RIOK2,PAK6,AURKC,MAP3K15,RPS6K
A2,IRAK1,MAP2K3,ULK1,PLK1,EPHA3,NR1H2,HIPK3,MAP3K1,PHKG1,STK25,DAPK2,AAK1,CAMK1G,HIPK2,NUAK2,SIK3,PHKG2,MAP3K3,GRK4,PRKG2,PLK2,STK39,TBK1,MELK,MAP2K2,RPS6KA1,SRPK1,DYRK2,STK17A,RPS6KA5,DAPK1,STK16,RPS
6KA4,MYLK,MAP3K7,SBK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","TK protein kinase group","STE protein kinase group","AGC protein kinase group","CMGC protein kinase group","CK1 protein kinase group","TKL
 protein kinase group","CAMK protein kinase group","Tyrosine protein kinase Abl family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Ret family","STE protein kinase STE20 family","Ty
rosine protein kinase Src family","AGC protein kinase GRK family","CMGC protein kinase GSK family","Other protein kinase AUR family","CMGC protein kinase DYRK family","Tyrosine protein kinase FGFR fam
ily","CK1 protein kinase CK1 family","CMGC protein kinase CDK family","Tyrosine protein kinase Trk family","TKL protein kinase STKR family","CAMK protein kinase CAMK1 family","CAMK protein kinase DAPK
 family","CMGC protein kinase CLK family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Fak family","AGC protein kinase DMPK family","TKL protein kinase LRRK family","Tyrosine protein 
kinase Ack family","AGC protein kinase PKA family","CAMK protein kinase CAMK2 family","CAMK protein kinase PKD family","STE protein kinase MSN subfamily","AGC protein kinase GRK subfamily","CMGC prote
in kinase Dyrk1 subfamily","CMGC protein kinase CDK8 subfamily","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase AMPK subfamily","STE protein kinase TAO subfamily","AGC protein kinase R
OCK subfamily","Tyrosine protein kinase SrcA","STE protein kinase PAKB subfamily","Epigenetic regulator","Unclassified protein","Transcription factor",Eraser,Transferase,"Nuclear receptor","Histone de
acetylase","Nuclear hormone receptor subfamily 1","Atypical protein kinase group","HDAC class IIb","Nuclear hormone receptor subfamily 1 group H","STE protein kinase STE11 family","Other protein kinas
e IKK family","Tyrosine protein kinase PDGFR family","CAMK protein kinase DCAMK1 family","AGC protein kinase RSK family","CAMK protein kinase MAPKAPK family","AGC protein kinase PKC family","Other pro
tein kinase PLK family","Other protein kinase NEK family","STE protein kinase STE7 family","Other protein kinase TTK family","TKL protein kinase RAF family","TKL protein kinase RIPK family","Atypical 
protein kinase RIO family","Other protein kinase NAK family","Other protein kinase NKF1 family","Other protein kinase ULK family","Other protein kinase CK2 family","CMGC protein kinase SRPK family","A
GC protein kinase MAST family","CMGC protein kinase MAPK family","TKL protein kinase IRAK family","Tyrosine protein kinase Eph family","Nuclear hormone receptor subfamily 1 group H member 3","CAMK pro
tein kinase PHk family","AGC protein kinase PKG family","CAMK protein kinase MLCK family","TKL protein kinase MLK family","STE protein kinase MEKK2","AGC protein kinase RSK subfamily","CAMK protein ki
nase MNK subfamily","AGC protein kinase PKC eta subfamily","CMGC protein kinase CDK7 subfamily","TKL protein kinase STKR Type 2 subfamily","STE protein kinase YSK subfamily","Atypical protein kinase R
IO1 subfamily","STE protein kinase KHS subfamily","CAMK protein kinase MARK subfamily","Atypical protein kinase RIO3 subfamily","STE protein kinase FRAY subfamily","CMGC protein kinase JNK subfamily",
"AGC protein kinase GEK subfamily","Other protein kinase Nek1","CMGC protein kinase HIPK subfamily","Atypical protein kinase RIO2 subfamily","STE protein kinase ASK","CAMK protein kinase NuaK subfamil
y","CAMK protein kinase QIK subfamily","Other protein kinase PLK2","CAMK protein kinase MELK subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase MSK subfamily","TKL protein kinase TAK
1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: 
Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","Other protein kinases","TK: Tyrosine kinase","STE20 family","G protein-coupled rec
eptor kinases (GRKs)","Glycogen synthase kinase (GSK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Cyclin-dependent kinase (CD
K) family","CAMK-like (CAMKL) family","Death-associated kinase (DAPK) family","CLK family","DMPK family","TKL: Tyrosine kinase-like","Protein kinase A (PKA) family","CAMK1 family","CAMK2 family","Prot
ein kinase D (PKD) family","IKK family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","MSN subfamily","GRK4 subfamily","GSK subfamily","Aurora kinase (Aur) family","Dyrk1 
subfamily","CDK8 subfamily","AMPK subfamily","TAO subfamily","Rho kinase","Leucine-rich repeat kinase (LRRK) family","PAKB subfamily","Abl family","Janus kinase (JakA) family","Type XIV RTKs: RET","Sr
c family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fak family",
"Ack family","Chromatin modifying enzymes","Nuclear hormone receptors",Atypical,"3.5.1.- Histone deacetylases (HDACs)","Lipid modifying kinases","1H. Liver X receptor-like receptors","STE11 family","D
CAMKL family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Protein kinase C (PKC) family","Vaccina related kinase (VRK) family","STE7 family","RIO family","1-phosphatidylinositol 4-k
inase family","CASK family","SRPK family","MAST family","Mitogen-activated protein kinases (MAP kinases)","Phosphorylase kinase (PHK) family","Protein kinase G (PKG) family","Myosin Light Chain Kinase
 (MLCK) family","Opsin/rhodopsin kinases","RSK subfamily","MKN subfamily","Eta subfamily","Polo-like kinase (PLK) family","STE20 subfamily","Receptor serine/threonine kinase (RSTK) family","CDK7 subfa
mily","NIMA (never in mitosis gene a)- related kinase (NEK) family","TTK family","RAF family","YSK subfamily","Receptor interacting protein kinase (RIPK) family","RIO1 subfamily","Numb-associated kina
se (NAK) family","KHS subfamily","NKF1 family","Unc-51-like kinase (ULK) family","Casein kinase 2 (CK2) family","MARK subfamily","RIO3 subfamily","FRAY subfamily","JNK subfamily","GEK subfamily","IRE 
family","HIPK subfamily","RIO2 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","NAK family","NuaK subfamily","QIK subfamily","MELK subfamily","Dyrk2 subfamily","MSK subfamily","Mix
ed Lineage Kinase (MLK) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases","Type XIII RTKs: Ephrin re
ceptor family","TAK1 subfamily"}

> <pathway_reactome>
{"Immune System",Disease,"Cell Cycle","Developmental Biology","Cellular responses to external stimuli","Signal Transduction","Gene expression (Transcription)","Programmed Cell Death","Neuronal System"
,Metabolism,"Innate Immune System","Infectious disease",Mitotic,"Nervous system development","Cellular responses to stress","Signaling by GPCR","Cytokine Signaling in Immune system","Diseases of signa
l transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription",Apoptosis,"Signaling by Non-Receptor Tyrosine Kinases","Tran
smission across Chemical Synapses","Metabolism of lipids","Toll-like Receptor Cascades","Leishmania infection","Mitotic G1 phase and G1/S transition","Axon guidance","Cellular Senescence","HIV Infecti
on","GPCR downstream signalling","SARS-CoV Infections","M Phase","Signaling by Interleukins","Signaling by FGFR in disease","Signaling by WNT in cancer","Signaling by NOTCH1 in Cancer","Signaling by N
TRKs","Generic Transcription Pathway","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by PTK6","Mitotic G2-G2/M phases","Neurotransmitter receptors and postsynaptic signal t
ransmission","Sphingolipid metabolism","Toll Like Receptor 4 (TLR4) Cascade","Parasite infection","G1 Phase","RET signaling","Oxidative Stress Induced Senescence","Host Interactions of HIV factors","G
 alpha (q) signalling events","SARS-CoV-1 Infection","Mitotic Metaphase and Anaphase","Interleukin-2 family signaling","Signaling by FGFR1 in disease","Signaling by AMER1 mutants","Signaling by NOTCH1
 HD+PEST Domain Mutants in Cancer","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","G0 and Early G1","Caspase activation via Dependence Receptors in the absence of ligand","Semaphorin
 interactions","PTK6 promotes HIF1A stabilization","Signaling by ROBO receptors","G2/M Transition","Activation of NMDA receptors and postsynaptic events","Signaling by NTRK3 (TRKC)","Sphingolipid de n
ovo biosynthesis","MyD88-independent TLR4 cascade","Leishmania phagocytosis","Cyclin D associated events in G1","The role of Nef in HIV-1 replication and disease pathogenesis","SARS-CoV-1 Genome Repli
cation and Transcription","Mitotic Anaphase","Interleukin-15 signaling","FGFR1 mutant receptor activation","Truncations of AMER1 destabilize the destruction complex","Constitutive Signaling by NOTCH1 
HD+PEST Domain Mutants","Activation of TRKA receptors","Regulation of TP53 Activity","Sema4D in semaphorin signaling","Activation of RAC1","Centrosome maturation","Post NMDA receptor activation events
","Activated NTRK3 signals through PI3K","TRIF(TICAM1)-mediated TLR4 signaling","FCGR3A-mediated phagocytosis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin ad
apters","Replication of the SARS-CoV-1 genome","Separation of Sister Chromatids","Signaling by activated point mutants of FGFR1","NGF-independant TRKA activation","Regulation of TP53 Activity through 
Phosphorylation","Sema4D induced cell migration and growth-cone collapse","Nef and signal transduction","Loss of proteins required for interphase microtubule organization from the centrosome","CREB1 p
hosphorylation through NMDA receptor-mediated activation of RAS signaling","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosom
es","Ras activation upon Ca2+ influx through NMDA receptor","Metabolism of RNA","Vesicle-mediated transport","Muscle contraction","Metabolism of proteins",Autophagy,"Signaling by TGFB family members",
"rRNA processing","Signaling by Hedgehog","Membrane Trafficking","Cardiac conduction","Unfolded Protein Response (UPR)",Macroautophagy,"Post-translational protein modification","Metabolism of carbohyd
rates","MAPK family signaling cascades","Signaling by Rho GTPases","Signaling by KIT in disease","Interferon Signaling","Fcgamma receptor (FCGR) dependent phagocytosis","Signaling by BMP","Apoptotic e
xecution phase","rRNA processing in the nucleus and cytosol","Phospholipid metabolism","Hedgehog 'on' state","trans-Golgi Network Vesicle Budding","Ion homeostasis","IRE1alpha activates chaperones","S
elective autophagy",SUMOylation,"Glycogen metabolism","Clathrin-mediated endocytosis","MAPK1/MAPK3 signaling","RHO GTPase Effectors","G alpha (i) signalling events","Drug resistance of KIT mutants","A
ntiviral mechanism by IFN-stimulated genes","Role of phospholipids in phagocytosis","Interferon alpha/beta signaling","HIV Life Cycle","Mitotic Prophase","Toll Like Receptor 5 (TLR5) Cascade","Apoptot
ic cleavage of cellular proteins","Major pathway of rRNA processing in the nucleolus and cytosol","Transcriptional regulation by RUNX2","PI Metabolism","Golgi Associated Vesicle Biogenesis","EPH-Ephri
n signaling",Mitophagy,"SUMO E3 ligases SUMOylate target proteins","Toll Like Receptor 2 (TLR2) Cascade","Glycogen breakdown (glycogenolysis)","Cargo recognition for clathrin-mediated endocytosis","In
terleukin-1 family signaling","RAF/MAP kinase cascade","Leishmania parasite growth and survival","L1CAM interactions","RHO GTPases activate PAKs","Visual phototransduction","Dasatinib-resistant KIT mu
tants","ISG15 antiviral mechanism","Regulation of IFNA signaling","Late Phase of HIV Life Cycle","Nuclear Envelope Breakdown","MyD88 cascade initiated on plasma membrane","Signalling to ERKs","RUNX2 r
egulates bone development","Synthesis of PIPs at the Golgi membrane","Assembly and cell surface presentation of NMDA receptors","EPHB-mediated forward signaling","Receptor Mediated Mitophagy","EPHA-me
diated growth cone collapse","SUMOylation of intracellular receptors","Toll Like Receptor TLR6:TLR2 Cascade","Interleukin-1 signaling","RAS processing","Anti-inflammatory response favouring Leishmania
 parasite infection","Recycling pathway of L1","The phototransduction cascade","Nuclear Envelope (NE) Reassembly","Transcription of the HIV genome","Activation of NIMA Kinases NEK9",NEK6,NEK7,"MAP kin
ase activation","Prolonged ERK activation events","RUNX2 regulates osteoblast differentiation","Activation of RAC1 downstream of NMDARs","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","CD163 
mediating an anti-inflammatory response","IKK complex recruitment mediated by RIP1",Inactivation,"recovery and regulation of the phototransduction cascade","RSK activation","Initiation of Nuclear Enve
lope (NE) Reformation","HIV Transcription Elongation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","ARMS-mediated activation","Frs2-mediated activation","MAPK
 targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Tat-mediated elongation of the HIV-1 tra
nscript","Activation of the AP-1 family of transcription factors","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{JAK1,JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{"RUXOLITINIB (INCB018424",S-Ruxolitinib,SRuxolitinib,941685-37-6,941685376,"S-Ruxolitinib (INCB018424)","SRuxolitinib (INCB018424)","Ruxolitinib (S enantiomer)",(R)-ruxolitinib,(R)ruxolitinib,"Ruxoli
tinib S enantiomer","INCB 18424",ruxolitinib-(S),ruxolitinib(S),PubChem19323,SCHEMBL99225,CHEMBL1287854,DTXSID30678918,BCP15524,EX-A40,EXA40,S2902}

> <pdid>
PD003235

> <targets>
{JAK1,JAK2,JAK}

> <classes>
{}

> <pubchem_cids>
{50878566}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 O   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 S   0  0
   -2.5983   -3.0004    0.0000 O   0  0
   -3.8975   -2.2510    0.0000 O   0  0
   -3.8990   -0.7508    0.0000 N   0  0
   -5.1988   -1.5013    0.0000 C   0  0
   -6.4994   -0.7540    0.0000 C   0  0
   -7.7969   -1.5066    0.0000 C   0  0
   -7.7938   -3.0066    0.0000 C   0  0
   -6.4933   -3.7540    0.0000 C   0  0
   -5.1958   -3.0013    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 11 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12428

> <plate>
PLATE 019

> <well>
D8

> <supplier_cmpd_name>
Belinostat

> <ctcr_id>
7095

> <supplier_cmpd_id>
T1852

> <smiles>
ONC(=O)/C=C/c1cccc(c1)[S](=O)(=O)Nc2ccccc2

> <pd_targets>
{HDAC6,HDAC8,HDAC9,HDAC1,HDAC4,HDAC3,HDAC11,HDAC2,HDAC7,BRD4,HDAC5,HDAC10}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,Reader,"Histone deacetylase",Bromodomain,"HDAC class IIb","HDAC class I","HDAC class IIa","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle",Disease,"RNA Polymerase II Transcription",Mitotic,"Diseases of signal transduction by growth factor receptors and second messengers","Disorders of Devel
opmental Biology","Infectious disease","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","SARS-CoV Infections","Transcriptional regula
tion by RUNX2","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Pervasive developmental disorders","Transcriptional Regulation by TP53","Potential therapeutics 
for SARS","RUNX2 regulates bone development","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","RU
NX2 regulates osteoblast differentiation","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates chondrocyte maturation","Loss of MECP2 binding ability to the NC
oR/SMRT complex","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{SW219445-1,SW2194451,EC-000.2286,EC000.2286,Belinostat,414864-00-9,414864009,PXD101,"Belinostat (PXD101)",866323-14-0,866323140,PXD-101,Beleodaq,(E)-N-hydroxy-3-(3-(N-phenylsulfamoyl)phenyl)acrylamid
e,(E)Nhydroxy3(3(Nphenylsulfamoyl)phenyl)acrylamide,NSC726630,N-HYDROXY-3-(3-PHENYLSULFAMOYLPHENYL)ACRYLAMIDE,NHYDROXY3(3PHENYLSULFAMOYLPHENYL)ACRYLAMIDE,"PXD 101",UNII-F4H96P17NZ,UNIIF4H96P17NZ,N-HYD
,NHYD,T1852,758774,S1085,belinostat}

> <pdid>
PD003512

> <targets>
{HDAC,Autophagy}

> <classes>
{Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{6918638}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 60 64  0  0  1  0            999 V2000
    5.3600   -2.5900    0.0000 C   0  0  1  0  0  0
    6.6600   -1.6700    0.0000 C   0  0
    6.6243   -0.1704    0.0000 O   0  0
    7.9600   -2.5000    0.0000 C   0  0  2  0  0  0
    7.8900   -3.9900    0.0000 C   0  0
    9.1400   -4.8192    0.0000 O   0  0
    6.4900   -4.6600    0.0000 O   0  0
    6.7900   -6.0400    0.0000 C   0  0  1  0  0  0
    5.7900   -7.1200    0.0000 C   0  0  2  0  0  0
    5.4900   -8.6600    0.0000 C   0  0  1  0  0  0
    4.1500   -9.4100    0.0000 C   0  0  2  0  0  0
    2.8500   -8.8000    0.0000 C   0  0
    1.6253   -9.6661    0.0000 O   0  0
    2.6900   -7.1900    0.0000 C   0  0  1  0  0  0
    4.1300   -6.4700    0.0000 C   0  0
    4.0000   -4.8600    0.0000 C   0  0  2  0  0  0
    5.4500   -4.1900    0.0000 C   0  0  2  0  0  0
    6.3896   -5.3566    0.0000 O   0  0
    7.8727   -5.1266    0.0000 C   0  0  1  0  0  0
    8.8153   -6.2935    0.0000 C   0  0  1  0  0  0
   10.2972   -6.0606    0.0000 C   0  0  2  0  0  0
   10.8364   -4.6609    0.0000 C   0  0
    9.8939   -3.4940    0.0000 C   0  0  2  0  0  0
    8.4121   -3.7269    0.0000 O   0  0
   10.4332   -2.0943    0.0000 C   0  0
   11.2378   -7.2301    0.0000 N   0  0
   10.6966   -8.6290    0.0000 C   0  0
   12.7200   -6.9998    0.0000 C   0  0
    8.2761   -7.6932    0.0000 O   0  0
    2.7222   -5.6191    0.0000 O   0  0
    1.4010   -4.9089    0.0000 C   0  0
    4.0337   -3.3604    0.0000 C   0  0
    1.3765   -6.4655    0.0000 C   0  0
    4.2036  -10.9090    0.0000 C   0  0
    6.7300   -9.4400    0.0000 N   0  0
    7.8300   -8.6400    0.0000 C   0  0
    9.2489   -9.1266    0.0000 O   0  0
    7.4400   -7.2900    0.0000 O   0  0
    6.8087  -10.9379    0.0000 C   0  0
    8.1458  -11.6195    0.0000 C   0  0
    8.2251  -13.1182    0.0000 C   0  0
    9.5623  -13.7997    0.0000 C   0  0
    9.6416  -15.2985    0.0000 N   0  0
   10.8972  -16.0955    0.0000 C   0  0
   10.5068  -17.5438    0.0000 C   0  0
    9.0087  -17.6200    0.0000 N   0  0
    8.4733  -16.2188    0.0000 N   0  0
   11.4494  -18.7116    0.0000 C   0  0
   12.9396  -18.5909    0.0000 C   0  0
   13.7912  -19.8257    0.0000 C   0  0
   13.1477  -21.1806    0.0000 C   0  0
   11.6526  -21.3008    0.0000 C   0  0
   10.8009  -20.0661    0.0000 C   0  0
   11.0091  -22.6558    0.0000 N   0  0
    7.1935   -6.5908    0.0000 C   0  0
    8.2854   -5.8944    0.0000 C   0  0
    9.1582   -7.1143    0.0000 C   0  0
    9.2040   -3.3381    0.0000 C   0  0
    7.9936   -1.0004    0.0000 F   0  0
    4.0089   -1.9384    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17  1  1  0
 17 18  1  1
 19 18  1  6
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 23 25  1  6
 21 26  1  6
 26 27  1  0
 26 28  1  0
 20 29  1  1
 16 30  1  0
 30 31  1  0
 16 32  1  6
 14 33  1  6
 11 34  1  1
 10 35  1  6
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38  9  1  0
 35 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 43  1  0
 45 48  1  0
 48 49  2  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 52 53  2  0
 53 48  1  0
 52 54  1  0
  9 55  1  6
  8 56  1  6
 56 57  1  0
  4 58  1  1
  4 59  1  0
  1 60  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12429

> <plate>
PLATE 019

> <well>
D9

> <supplier_cmpd_name>
Solithromycin

> <ctcr_id>
11185

> <supplier_cmpd_id>
T2331

> <smiles>
[C@@H]1(C(=O)[C@](C(=O)O[C@@H]([C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]1O[C@H]1[C@@H]([C@H](C[C@H](O1)C)N(C)C)O)(OC)C)C)C)N(C(=O)O2)CCCCn1cc(nn1)c1cccc(c1)N)C)CC)(C)F)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{Solithromycin,CEM-101,CEM101,Solithera,OP-1068,OP1068,"CEM 101",760981-83-7,760981837,UNII-9U1ETH79CK,UNII9U1ETH79CK,"OP 1068",9U1ETH79CK,"Solithromycin (USAN:INN)",CHEMBL1232510,SCHEMBL19114493,GTPL
10859,EX-A2272,EXA2272,OPT-1068,OPT1068,ZINC95627834,AKOS032947334,"compound 3 (PMI",T2331}

> <pdid>
PD016180

> <targets>
{Antibiotic,Bacterial}

> <classes>
{Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{25242512}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2526   -1.3618    0.0000 N   0  0
   -6.2524   -0.2436    0.0000 N   0  0
   -5.4979    1.0528    0.0000 C   0  0
   -6.1032    2.4252    0.0000 O   0  0
   -4.0317    0.7358    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0072   -7.5009    0.0000 F   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -5.2441    0.0000 C   0  0
    7.7981   -5.9949    0.0000 F   0  0
    5.2003   -5.9937    0.0000 F   0  0
    6.4988   -6.7441    0.0000 F   0  0
    9.0982   -0.7428    0.0000 C   0  0
    9.0991    0.7572    0.0000 F   0  0
   10.3970   -1.4931    0.0000 F   0  0
   10.3976    0.0067    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 10  2  0
  8 16  1  0
 16  4  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
  2 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
 26 34  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12430

> <plate>
PLATE 019

> <well>
D10

> <supplier_cmpd_name>
Aprepitant

> <ctcr_id>
3732

> <supplier_cmpd_id>
T1743

> <smiles>
CC(OC1OCCN(Cc2[nH]nc(O)n2)C1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{S1189,Aprepitant}

> <pdid>

> <targets>
{"Substance P"}

> <classes>
{Others}

> <pubchem_cids>
{21923359}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
   14.3579    1.2029    0.0000 Na  0  3
    7.3541    3.9052    0.0000 C   0  0
    8.1041    2.6062    0.0000 C   0  0
    9.6041    2.6062    0.0000 C   0  0
   10.3542    1.3072    0.0000 C   0  0
    9.6042    0.0082    0.0000 C   0  0
    8.1042    0.0081    0.0000 N   0  0
    7.3541    1.3071    0.0000 C   0  0
    5.8532    1.3040    0.0000 C   0  0
    5.1047    0.0031    0.0000 S   0  0
    5.8570   -1.2946    0.0000 O   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  5
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
   10.3571    3.9045    0.0000 O   0  0
   11.8571    3.9024    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 18 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 21  1  0
  4 26  1  0
 26 27  1  0
M  CHG  2   1   1  16  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12431

> <plate>
PLATE 019

> <well>
D11

> <supplier_cmpd_name>
Ilaprazole sodium

> <ctcr_id>
11186

> <supplier_cmpd_id>
T1756

> <smiles>
[Na+].Cc1c(ccnc1CS(=O)c1nc2c([n-]1)cc(cc2)n1cccc1)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sodium ilaprazole",T1756,"Ilaprazole sodium"}

> <pdid>

> <targets>
{"Proton pump"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{121595900}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 50 51  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 N   0  0
    2.5981   -3.0000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 N   0  0
   -1.2982   -3.7531    0.0000 N   0  0
   -1.2961   -5.2539    0.0000 C   0  0
   -2.5925   -6.0085    0.0000 C   0  0
   -2.5873   -7.5085    0.0000 C   0  0
   -1.2857   -8.2540    0.0000 C   0  0
    0.0108   -7.4995    0.0000 C   0  0
    0.0056   -5.9995    0.0000 C   0  0
   -1.2805   -9.7540    0.0000 F   0  0
   -3.8837   -8.2630    0.0000 Cl  0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 N   0  0
  -10.3996    1.4837    0.0000 C   0  0
   -9.0964   -0.7636    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  1  0  0  0
    1.4469    5.2298    0.0000 C   0  0
    2.9152    5.5365    0.0000 C   0  0
    3.6607    4.2349    0.0000 O   0  0
    2.6531    3.1237    0.0000 C   0  0
   10.0607   -1.7341    0.0000 C   0  0
    8.7607   -2.4841    0.0000 C   0  0
    8.7592   -3.9849    0.0000 C   0  0
    7.4600   -4.7345    0.0000 O   0  0
   10.0578   -4.7358    0.0000 O   0  0
   11.3606   -2.4841    0.0000 C   0  0
   12.6599   -1.7345    0.0000 O   0  0
   11.3606   -3.9841    0.0000 O   0  0
   19.0606   -1.7341    0.0000 C   0  0
   17.7606   -2.4841    0.0000 C   0  0
   17.7592   -3.9849    0.0000 C   0  0
   16.4599   -4.7345    0.0000 O   0  0
   19.0577   -4.7358    0.0000 O   0  0
   20.3606   -2.4841    0.0000 C   0  0
   21.6599   -1.7345    0.0000 O   0  0
   20.3606   -3.9841    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  1  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 14 19  1  0
  4 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
  3 29  1  0
 30 29  1  1
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 30  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 35 40  1  0
 40 41  2  0
 40 42  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 45 47  1  0
 43 48  1  0
 48 49  2  0
 48 50  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12432

> <plate>
PLATE 019

> <well>
E2

> <supplier_cmpd_name>
Afatinib Dimaleate

> <ctcr_id>
11187

> <supplier_cmpd_id>
T1773

> <smiles>
c12cc(c(cc1c(ncn2)Nc1cc(c(cc1)F)Cl)NC(=O)/C=C/CN(C)C)O[C@H]1CCOC1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AFATINIB DIMALEATE",850140-73-7,850140737,"Afatinib (diMaleate)",Gilotrif,"Afatinib maleate",UNII-V1T5K7RZ0B,UNIIV1T5K7RZ0B,"Afatinib dimaleate (USAN)",V1T5K7RZ0B,"BIBW 2992MA2","Afatinib (BIBW2992)
 Dimaleate","BIBW2992 MA2",CHEBI:76003,"850140-73-7 (dimalea","850140737 (dimalea",T1773,"Afatinib Dimaleate"}

> <pdid>

> <targets>
{EGFR,HER2,"EGFR (L858R)","EGFR (L858R/T790M)","EGFR (wt)"}

> <classes>
{Angiogenesis,"JAK/STAT signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{15606394}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0
   -1.2979    3.7529    0.0000 C   0  0
   -1.2955    5.2529    0.0000 C   0  0
    0.0047    6.0009    0.0000 C   0  0
    0.0071    7.5009    0.0000 Cl  0  0
    1.3026    5.2488    0.0000 C   0  0
    2.6051    5.9945    0.0000 C   0  0
    3.9026    5.2402    0.0000 C   0  0
    5.2054    5.9836    0.0000 C   0  0
    6.5007    5.2270    0.0000 C   0  0
    6.4931    3.7270    0.0000 C   0  0
    7.7875    2.9674    0.0000 O   0  0
    7.7778    1.4666    0.0000 C   0  0  1  0  0  0
    8.9840    0.5965    0.0000 C   0  0
    8.5083   -0.8261    0.0000 C   0  0
    7.0083   -0.8133    0.0000 O   0  0
    6.5570    0.6172    0.0000 C   0  0
    5.1903    2.9836    0.0000 C   0  0
    3.8951    3.7401    0.0000 C   0  0
    1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  6
  8 10  1  0
 10  3  1  0
 10 11  1  1
  5 12  1  6
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 24 23  1  1
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 24  1  0
 22 29  1  0
 29 30  2  0
 30 19  1  0
 17 31  2  0
 31 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12433

> <plate>
PLATE 019

> <well>
E3

> <supplier_cmpd_name>
Empagliflozin

> <ctcr_id>
7405

> <supplier_cmpd_id>
T1766

> <smiles>
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2

> <pd_targets>
{SLC5A2,SLC5A1}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC05 family of sodium-dependent glucose transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC5 family of sodium-dependent glucose transporters","Hexose transporter family"}

> <pathway_reactome>
{Disease,"Disorders of transmembrane transporters","SLC transporter disorders","Defective SLC5A2 causes renal glucosuria (GLYS1)","Defective SLC5A1 causes congenital glucose/galactose malabsorption (G
GM)"}

> <broad_targets>
{SLC5A1,SLC5A2}

> <broad_moa>
{"sodium/glucose cotransporter inhibitor"}

> <synonyms>
{Empagliflozin,864070-44-0,864070440,"864070 44 0",JARDIANCE,"BI 10773","Empagliflozin (BI 10773)",BI-10773,BI10773,UNII-HDC1R2M35U,UNIIHDC1R2M35U,"UNII HDC1R2M35U",HDC1R2M35U,1-chloro-4-(glucopyranos
-1-yl)-2-(4-(tetrahydrofuran-3-yloxy)benzyl)benzen,1chloro4(glucopyranos1yl)2(4(tetrahydrofuran3yloxy)benzyl)benzen,S8022}

> <pdid>
PD009397

> <targets>
{SGLT}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{11949646}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 44  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 N   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5925    4.6865    0.0000 C   0  0
   -7.0558    6.1131    0.0000 C   0  0
   -6.0520    7.2277    0.0000 C   0  0
   -4.5848    6.9156    0.0000 C   0  0
   -4.1215    5.4889    0.0000 C   0  0
   -6.5126    8.6561    0.0000 N   0  0
   -7.9792    8.9707    0.0000 C   0  0
   -5.5066    9.7698    0.0000 C   0  0
   -4.0399    9.4552    0.0000 O   0  0
   -5.9672   11.1982    0.0000 C   0  0
   -4.9612   12.3120    0.0000 N   0  0
   -5.4195   13.7403    0.0000 C   0  0
   -4.4117   14.8513    0.0000 C   0  0
   -2.9457   14.5342    0.0000 N   0  0
   -1.9379   15.6453    0.0000 C   0  0
   -2.4873   13.1059    0.0000 C   0  0
   -3.4950   11.9948    0.0000 C   0  0
   -2.1880    3.7544    0.0000 C   0  0
   -2.6517    5.1810    0.0000 C   0  0
   -1.6483    6.2959    0.0000 C   0  0
   -0.1810    5.9844    0.0000 C   0  0
    0.2828    4.5579    0.0000 C   0  0
   -0.7206    3.4429    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  8  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 27  1  0
 14 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
  9 40  2  0
 40  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12434

> <plate>
PLATE 019

> <well>
E4

> <supplier_cmpd_name>
Nintedanib

> <ctcr_id>
7648

> <supplier_cmpd_id>
T1777

> <smiles>
COC(=O)c1ccc2c(NC(=O)\C2=C(Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccccc5)c1

> <pd_targets>
{PDGFRB,FGFR4,KDR,FGFR1,FLT4,FGFR3,PDGFRA,FLT1,FGFR2,FLT3,STK16,ACVRL1,BTK,MYO3B,RIPK4,GRK7,MAP3K7,SIK1,OXSR1,ABL1,FER,PRKG1,MAP3K12,TBK1,DAPK2,RPS6KA6,CILK1,SIK2,CDK7,CSNK2A1,CSNK2A2,HCK,MAP3K3,PAK2,
TYK2,CAMK1,EPHA2,EPHB6,STK35,CDK4,HIPK4,STK33,EPHA6,CDK14,CAMK1G,PRKAA1,PKNB,ERN1,KIT,CDK2,IKBKE,ABL2,MET,RET,CAMKK2,JAK1,BMPR2,CLK1,PRKD2,AXL,INSRR,EPHA1,HIPK3,STK3,TYRO3,MAP3K2,SGK3,SRPK3,BMP2K,CAMK
2A,PLK4,ACVR1B,MAP4K2,HIPK2,SLK,MAP4K4,DDR2,SRC,RPS6KA2,PAK4,SBK1,PIP5K1A,MAP2K2,NUAK2,MARK4,RIOK1,MYLK2,PTK2B,ZAP70,SBK3,MERTK,SRPK2,RPS6KA4,EIF2AK4,DAPK3,CAMK1D,TSSK1B,CAMKK1,DCLK3,LRRK2,LTK,PKN1,FR
K,GSK3B,MAP3K11,CLK2,RPS6KA3,DDR1,RIPK1,GRK4,IGF1R,MAST1,IRAK1,EPHA3,IRAK4,MAP4K3,INSR,PIP4K2B,GSC2,BLK,CAMK4,MARK3,RPS6KB1,ULK1,DCLK1,PRKCQ,PAK5,PRKD3,PKN2,MAP4K1,SRPK1,FGR,NTRK2,GSK3A,ALK,ULK2,YES1,
MUSK,MAP4K5,IRAK3,LATS2,NUAK1,CHEK1,NTRK1,PRKD1,MAP3K19,STK11,RPS6KA5,ITK,STK26,JAK3,HIPK1,ULK3,MAP3K15,CLK4,MAP3K9,MYLK,MYLK3,AURKC,AURKB,TNK2,CDPK1,MAPK8,MAP2K3,TXK,CDKL2,DYRK1B,MAP3K10,MAPK7,PAK3,N
TRK3,TIE1,CDK16,STK10,MARK2,MARK1,MAPK10,MAPK14,LATS1,MAP2K1,ROS1,MAP2K4,STK24,RIOK3,STK17A,MAP2K5,WEE1,FES,ACVR1,LCK,GRK1,PDPK1,EPHB1,CDK17,MYLK4,MINK1,FYN,JAK2,CSF1R,PHKG1,STK39,TNIK,MELK,CHUK,PRKAA
2,PRPF4B,TEK,CDK18,EPHB4,TGFBR1,MAP3K13,AAK1,RPS6KA1,LYN,PTK2,STK17B,CSNK1D,TNK1,PHKG2,CSNK1E,TTK,KCNH2,STK4,ABCB1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Transporter,Kinase,Transferase,"Voltage-gated ion channel","Primary active transporter","Protein Kinase","Potassium channels","ATP-binding cassette","TK pr
otein kinase group","Other protein kinase group","TKL protein kinase group","STE protein kinase group","AGC protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Atypical prot
ein kinase group","CK1 protein kinase group","Voltage-gated potassium channel","ABCB subfamily","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VE
GFR family","Other protein kinase NAK family","TKL protein kinase STKR family","Tyrosine protein kinase Tec family","STE protein kinase STE20 family","TKL protein kinase RIPK family","AGC protein kina
se GRK family","TKL protein kinase MLK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Fer family","AGC protein kinase PKG family","Other prote
in kinase IKK family","CAMK protein kinase DAPK family","AGC protein kinase RSK family","CMGC protein kinase RCK family","CMGC protein kinase CDK family","Other protein kinase CK2 family","Tyrosine pr
otein kinase Src family","STE protein kinase STE11 family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Eph family","Other protein kinase NKF4 family","CMGC protein kinase DYRK famil
y","CAMK protein kinase unique family","Tyrosine protein kinase Met family","Tyrosine protein kinase Ret family","Other protein kinase CAMKK family","CMGC protein kinase CLK family","CAMK protein kina
se PKD family","Tyrosine protein kinase Axl family","Tyrosine protein kinase InsR family","AGC protein kinase SGK family","CMGC protein kinase SRPK family","CAMK protein kinase CAMK2 family","Other pr
otein kinase PLK family","Tyrosine protein kinase DDR family","Other protein kinase NKF1 family","STE protein kinase STE7 family","Atypical protein kinase RIO family","CAMK protein kinase MLCK family"
,"Tyrosine protein kinase Fak family","Tyrosine protein kinase Syk family","Other protein kinase PEK family","CAMK protein kinase TSSK family","CAMK protein kinase DCAMK1 family","TKL protein kinase L
RRK family","Tyrosine protein kinase Alk family","AGC protein kinase PKN family","CMGC protein kinase GSK family","AGC protein kinase MAST family","TKL protein kinase IRAK family","Other protein kinas
e ULK family","AGC protein kinase PKC family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Musk family","AGC protein kinase NDR family","Other protein kinase AUR family","Tyrosine pro
tein kinase Ack family","CMGC protein kinase MAPK family","CMGC protein kinase CDKL family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Sev family","Other protein kinase WEE family",
"AGC protein kinase PDK1 subfamily","CAMK protein kinase PHk family","CK1 protein kinase CK1 family","Other protein kinase TTK family","TKL protein kinase STKR Type 1 subfamily","STE protein kinase Ni
naC subfamily","AGC protein kinase GRK subfamily","TKL protein kinase TAK1 subfamily","CAMK protein kinase QIK subfamily","STE protein kinase FRAY subfamily","AGC protein kinase RSK subfamily","CMGC p
rotein kinase MAK","CMGC protein kinase CDK7 subfamily","STE protein kinase MEKK2","STE protein kinase PAKA subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase PFTAIRE","CAMK protein 
kinase AMPK subfamily","CMGC protein kinase CDC2 subfamily","Other protein kinase Meta subfamily","TKL protein kinase STKR Type 2 subfamily","STE protein kinase MST subfamily","STE protein kinase KHS 
subfamily","STE protein kinase SLK subfamily","STE protein kinase MSN subfamily","STE protein kinase PAKB subfamily","CAMK protein kinase NuaK subfamily","CAMK protein kinase MARK subfamily","Atypical
 protein kinase RIO1 subfamily","AGC protein kinase MSK subfamily","Other protein kinase GCN2 subfamily","TKL protein kinase MLK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase PKC d
elta subfamily","CAMK protein kinase CHK1 subfamily","CAMK protein kinase LKB subfamily","STE protein kinase YSK subfamily","STE protein kinase ASK","CMGC protein kinase JNK subfamily","CMGC protein k
inase Dyrk1 subfamily","CMGC protein kinase ERK5","CMGC protein kinase TAIRE subfamily","CMGC protein kinase p38 subfamily","Atypical protein kinase RIO3 subfamily","TKL protein kinase STKR1","CMGC pr
otein kinase PCTAIRE","Tyrosine protein kinase SrcA","CAMK protein kinase MELK subfamily","TKL protein kinase LZK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","ATP-binding cassette transporter family","Receptor kinases","STE: Homologs of 
yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid 
modifying kinases",Atypical,"CK1: Casein kinase 1","Potassium channels","ABCB subfamily","TK: Tyrosine kinase","Other protein kinases","TKL: Tyrosine kinase-like","STE20 family","G protein-coupled rec
eptor kinases (GRKs)","CAMK-like (CAMKL) family","Protein kinase G (PKG) family","Death-associated kinase (DAPK) family","RSK family","RCK family","Cyclin-dependent kinase (CDK) family","STE11 family"
,"CAMK1 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK-unique family","CLK family","Protein kinase D (PKD) family","SGK family","SRPK family","CAMK2 famil
y","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","STE7 family","RIO family","Myosin Light Chain Kinase (MLCK) family","Testis specific kinase (TSSK) family","DCAMKL family"
,"Protein kinase N (PKN) family","Glycogen synthase kinase (GSK) family","MAST family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Protein kinase C (PKC) family","NDR f
amily","Mitogen-activated protein kinases (MAP kinases)","Cyclin-dependent kinase-like (CDKL) family","PDK1 family","Phosphorylase kinase (PHK) family","Casein kinase 1 (CK1) family","Voltage-gated po
tassium channels","Receptor tyrosine kinases (RTKs)","NAK family","Receptor serine/threonine kinase (RSTK) family","Non-receptor tyrosine kinases (nRTKs)","NinaC subfamily","Receptor interacting prote
in kinase (RIPK) family","Opsin/rhodopsin kinases","Mixed Lineage Kinase (MLK) family","QIK subfamily","FRAY subfamily","IKK family","RSK subfamily","CDK7 subfamily","Casein kinase 2 (CK2) family","PA
KA subfamily","NKF4 family","CDK4 subfamily","HIPK subfamily","TAIRE subfamily","AMPK subfamily","IRE family","CDK1 subfamily","CAMKK family","MST subfamily","Numb-associated kinase (NAK) family","Pol
o-like kinase (PLK) family","KHS subfamily","SLK subfamily","MSN subfamily","PAKB subfamily","NKF1 family","NuaK subfamily","MARK subfamily","RIO1 subfamily","MSK subfamily","PEK family","Leucine-rich
 repeat kinase (LRRK) family","GSK subfamily","GRK4 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","p70 subfamily","Unc-51-like kinase (ULK) family","Delta subfamily","CHK1 subfam
ily","STE20 subfamily","LKB subfamily","YSK subfamily","Aurora kinase (Aur) family","JNK subfamily","Dyrk1 subfamily","ERK subfamily","p38 subfamily","RIO3 subfamily","WEE family","MELK subfamily","PR
P4 subfamily","TTK family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor)
 receptor family","Type I receptor serine/threonine kinases","Tec family","TAK1 subfamily","Abl family","Fer family","LZK subfamily","Src family","Janus kinase (JakA) family","Type XIII RTKs: Ephrin r
eceptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIV RTKs: RET","Meta subfamily","Type II receptor serine/threonine kinases","Type XI RTKs: TAM (TYRO3-","AXL- and ME
R-TK) receptor family","Type II RTKs: Insulin receptor family","Type XVI RTKs: DDR (collagen receptor) family","Fak family","Syk family","GCN2 subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK
) receptor family","MLK subfamily","Type VII RTKs: Neurotrophin receptor/Trk family","Type IX RTKs: MuSK","Ack family","Type XII RTKs: TIE family of angiopoietin receptors","Type XVII RTKs: ROS recept
ors"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System","Circadian Clock",Hemostasis,"Programmed Cell Death","Neuronal System","Gene expression (Transcription)","Developmental Biology","Cell Cycle","Metabolism
 of proteins",Metabolism,"Transport of small molecules","Cellular responses to external stimuli","Extracellular matrix organization","Organelle biogenesis and maintenance","Metabolism of RNA",Autophag
y,"DNA Repair","Vesicle-mediated transport","Muscle contraction","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth fact
or receptors and second messengers","Signaling by TGFB family members","Infectious disease","Signaling by GPCR","Innate Immune System","Platelet homeostasis",Apoptosis,"Transmission across Chemical Sy
napses","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Nervous system development",Mitotic,"Unfolded Protein Response (UPR)","Metabolism of lipids","Signaling by Hippo","Ion 
channel transport","Signaling by NODAL","Cellular responses to stress","Non-integrin membrane-ECM interactions","Cilium Assembly","rRNA processing","Adaptive Immune System","Cell surface interactions 
at the vascular wall","Signaling by Non-Receptor Tyrosine Kinases","Signaling by Rho GTPases","Disorders of Developmental Biology","MTOR signalling",Macroautophagy,"ECM proteoglycans","DNA Double-Stra
nd Break Repair","Signaling by Hedgehog","Cell Cycle Checkpoints","Metabolism of carbohydrates","MAPK family signaling cascades","Membrane Trafficking","Cardiac conduction","Abacavir transport and met
abolism","PIP3 activates AKT signaling","Signaling by FGFR","Signaling by VEGF","Signaling by FGFR in disease","Signaling by PDGFR in disease","Signaling by Insulin receptor","Signaling by BMP","Leish
mania infection","GPCR downstream signalling","Toll-like Receptor Cascades","Signaling by SCF-KIT","Nitric oxide stimulates guanylate cyclase","Caspase activation via extrinsic apoptotic signalling pa
thway","Neurotransmitter receptors and postsynaptic signal transmission","HIV Infection","Generic Transcription Pathway","Signaling by Interleukins","Interferon Signaling","Axon guidance","Mitotic G1 
phase and G1/S transition","IRE1alpha activates chaperones","Signaling by KIT in disease","Sphingolipid metabolism","Stimuli-sensing channels","Mitotic G2-G2/M phases","Regulation of signaling by NODA
L","Cellular Senescence","Signaling by NTRKs","Phospholipid metabolism","Anchoring of the basal body to the plasma membrane","rRNA processing in the nucleus and cytosol","TCR signaling","Response of E
IF2AK4 (GCN2) to amino acid deficiency","Signaling by PTK6","RHO GTPase Effectors","SARS-CoV Infections","Oncogenic MAPK signaling","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)",
"Disorders of Nervous System Development","mTORC1-mediated signalling","Selective autophagy","Homology Directed Repair","Apoptotic execution phase","Hedgehog 'on' state","M Phase","Fc epsilon receptor
 (FCERI) signaling","Neutrophil degranulation","G2/M Checkpoints","Glycogen metabolism","MAPK1/MAPK3 signaling","Signaling by TGF-beta Receptor Complex in Cancer","Clathrin-mediated endocytosis","Phas
e 3 - rapid repolarisation","Abacavir transmembrane transport","Negative regulation of the PI3K/AKT network","Signaling by FGFR4","VEGFA-VEGFR2 Pathway","Signaling by FGFR1 in disease","VEGF ligand-re
ceptor interactions","Signaling by FGFR3 in disease","Drug resistance of PDGFR mutants","Signaling by FGFR2 in disease","Insulin receptor signalling cascade","Parasite infection","G alpha (i) signalli
ng events","Toll Like Receptor 4 (TLR4) Cascade","cGMP effects","Caspase activation via Dependence Receptors in the absence of ligand","Activation of NMDA receptors and postsynaptic events","HIV Life 
Cycle","Transcriptional Regulation by TP53","Host Interactions of HIV factors","Interleukin-1 family signaling","Interferon alpha/beta signaling","EPH-Ephrin signaling","G1 Phase","Drug resistance of 
KIT mutants","Signaling by ROBO receptors","Semaphorin interactions","RET signaling","Antiviral mechanism by IFN-stimulated genes","Sphingolipid de novo biosynthesis","G2/M Transition","Oxidative Stre
ss Induced Senescence","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","PI Metabolism","Major pathway of rRNA processing in the nucleolus and cytosol","Interleukin-2 family signaling
","Generation of second messenger molecules","L1CAM interactions","PTK6 promotes HIF1A stabilization","RHO GTPases activate PKNs","PTEN Regulation","SARS-CoV-1 Infection","Signaling by RAS mutants","I
GF1R signaling cascade","Toll Like Receptor 2 (TLR2) Cascade","Transcriptional regulation by RUNX1","Pervasive developmental disorders",Mitophagy,"Leishmania parasite growth and survival","HDR through
 Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Apoptotic cleavage of cellular proteins","RHO GTPases activate PAKs","Mitotic Metaphase and Anaphase","FCERI mediated Ca+2 mobilizati
on","Signaling by NTRK3 (TRKC)","G2/M DNA damage checkpoint","Transcriptional Regulation by VENTX","Glycogen breakdown (glycogenolysis)","RAF/MAP kinase cascade","Loss of Function of SMAD2/3 in Cancer
","Cargo recognition for clathrin-mediated endocytosis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Downstream signaling of activated FGFR4","VEGFR2 mediated cell proliferation","FGFR1 mutant re
ceptor activation","VEGF binds to VEGFR leading to receptor dimerization","Signaling by FGFR3 point mutants in cancer","Imatinib-resistant PDGFR mutants","FGFR2 mutant receptor activation","IRS-mediat
ed signalling","Leishmania phagocytosis","Visual phototransduction","MyD88-independent TLR4 cascade","Post NMDA receptor activation events","Late Phase of HIV Life Cycle","Regulation of TP53 Activity"
,"The role of Nef in HIV-1 replication and disease pathogenesis","Interleukin-1 signaling","Regulation of IFNA signaling","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","Cyclin
 D associated events in G1","Dasatinib-resistant KIT mutants","Role of ABL in ROBO-SLIT signaling","Sema4D in semaphorin signaling","ISG15 antiviral mechanism","Centrosome maturation","Signalling to E
RKs","MyD88 cascade initiated on plasma membrane","Activation of RAC1","Synthesis of PIPs at the plasma membrane","Interleukin-2 signaling","Recycling pathway of L1","Activated PKN1 stimulates transcr
iption of AR (androgen receptor) regulated genes KLK2 and KLK3","Regulation of PTEN stability and activity","SARS-CoV-1 Genome Replication and Transcription","Signaling downstream of RAS mutants","IRS
-related events triggered by IGF1R","Toll Like Receptor TLR6:TLR2 Cascade","RUNX1 regulates transcription of genes involved in BCR signaling","Loss of function of MECP2 in Rett syndrome","Receptor Med
iated Mitophagy","Anti-inflammatory response favouring Leishmania parasite infection","Activation of TRKA receptors","HDR through Homologous Recombination (HRR)","Interleukin-15 signaling","Mitotic An
aphase","Ephrin signaling","Activated NTRK3 signals through PI3K","Signalling to ERK5","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","CRMPs in Sema3A signaling","SMAD2/3 Phosphoryla
tion Motif Mutants in Cancer","FRS-mediated FGFR4 signaling","Signaling by activated point mutants of FGFR1","FGFR3 mutant receptor activation","Activated point mutants of FGFR2","PI3K Cascade","FCGR3
A-mediated phagocytosis","The phototransduction cascade","TRIF(TICAM1)-mediated TLR4 signaling","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Transcription of the
 HIV genome","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Expression and Degradation","Sema4D media
ted inhibition of cell attachment and migration","Activation of AMPK downstream of NMDARs","Loss of proteins required for interphase microtubule organization from the centrosome","Signalling to RAS","
MAP kinase activation","Prolonged ERK activation events","Replication of the SARS-CoV-1 genome","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Regulation of TP53 Activity through Acetylation
","Loss of phosphorylation of MECP2 at T308","FCGR3A-mediated IL10 synthesis","NGF-independant TRKA activation","Homologous DNA Pairing and Strand Exchange","Separation of Sister Chromatids","Nef-medi
ates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signaling by activated point mutants of FGFR3",Inactivation,"recovery and regulation of the phototransduction c
ascade","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","RSK activation","HIV Transcription Elongation","Regulation of TP53 Degrad
ation","Ras activation upon Ca2+ influx through NMDA receptor","Loss of Nlp from mitotic centrosomes","p38MAPK events","MAPK targets/ Nuclear events mediated by MAP kinases","Frs2-mediated activation"
,"IKK complex recruitment mediated by RIP1","activated TAK1 mediates p38 MAPK activation","PI5P Regulates TP53 Acetylation","Presynaptic phase of homologous DNA pairing and strand exchange","ARMS-medi
ated activation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Nef Mediated CD4 Down-regulation","Tat-mediated elongation of the HIV-1 transcript","CREB phosp
horylation","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","Formation of HIV-1 elongation complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{FGFR1,FGFR2,FGFR3,FGFR4,FLT1,FLT4,KDR,PDGFRA,PDGFRB}

> <broad_moa>
{"FGFR inhibitor","PDGFR tyrosine kinase receptor inhibitor","VEGFR inhibitor"}

> <synonyms>
{"Nintedanib (BIBF 1120)",T1777,S1010,Nintedanib,nintedanib,BIBF1120(Vargatef)}

> <pdid>
PD003643

> <targets>
{VEGFR,FGFR,PDGFR}

> <classes>
{}

> <pubchem_cids>
{9809715}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 46 49  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 O   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0866    3.7711    0.0000 N   0  0
   -9.0793    5.2719    0.0000 C   0  0
   -7.7764    6.0151    0.0000 O   0  0
  -10.3749    6.0295    0.0000 C   0  0
  -11.7592    6.1035    0.0000 C   0  0
  -11.0161    4.8004    0.0000 C   0  0
  -10.3671    7.5307    0.0000 C   0  0
   -9.0640    8.2735    0.0000 O   0  0
  -11.6625    8.2886    0.0000 N   0  0
  -11.6547    9.7894    0.0000 C   0  0
  -12.9483   10.5489    0.0000 C   0  0
  -12.9374   12.0489    0.0000 C   0  0
  -11.6330   12.7894    0.0000 C   0  0
  -11.6222   14.2894    0.0000 F   0  0
  -10.3394   12.0301    0.0000 C   0  0
  -10.3502   10.5301    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   10.2990    7.1454    0.0000 O   0  0
   10.2990    5.6454    0.0000 C   0  0  1  0  0  0
    8.9990    4.8954    0.0000 C   0  0
    7.6990    5.6454    0.0000 C   0  0
    6.3997    4.8958    0.0000 O   0  0
    7.6990    7.1454    0.0000 O   0  0
   11.5990    4.8954    0.0000 C   0  0
   12.8983    5.6450    0.0000 O   0  0
   11.5990    3.3954    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 18  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 24  1  0
 14 31  1  0
 31 32  2  0
 32 11  1  0
  9 33  2  0
 33  5  1  0
 33 34  1  0
 34 35  2  0
 35  3  1  0
 35 36  1  0
 36 37  1  0
 39 38  1  6
 39 40  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
 39 44  1  0
 44 45  2  0
 44 46  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12435

> <plate>
PLATE 019

> <well>
E5

> <supplier_cmpd_name>
XL184

> <ctcr_id>
7593

> <supplier_cmpd_id>
T1797

> <smiles>
COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC.O[C@@H](CC(=O)O)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Cabozantinib Smalate","Cabozantinib S malate",1140909-48-3,1140909483,"1140909 48 3","Cabozantinib malate","cabozantinib (S)-malate","cabozantinib (S)malate","cabozantinib (S) malate","Cabozantinib 
(S-malate)","Cabozantinib (Smalate)","Cabozantinib (S malate)",Cabometyx,"Cabozantinib malate (XL184)",UNII-DR7ST46X58,UNIIDR7ST46X58,"UNII DR7ST46X58","Cabozantinib L-Malate Salt","Cabozantinib LMala
te Salt","Cabozantinib L Malate Salt","Cabozantinib s-malate (USAN)","Cabozantinib smalate (USAN)","Cabozantinib s malate (USAN)",DR7ST46X58,BMS907351,C,T1797,S4001,XL184}

> <pdid>

> <targets>
{Axl,VEGFR}

> <classes>
{}

> <pubchem_cids>
{25102846}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 68 71  0  0  0  0            999 V2000
    1.9161   10.5654    0.0000 C   0  0
    3.3245   10.0492    0.0000 O   0  0
    3.5827    8.5707    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    6.1455    9.0106    0.0000 O   0  0
    7.5532    8.4901    0.0000 C   0  0
    8.7084    9.4481    0.0000 C   0  0
   10.1153    8.9279    0.0000 O   0  0
    1.5337    5.1698    0.0000 C   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
    0.8000    1.1200    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    3.4300    0.8000    0.0000 C   0  0
    3.8662    2.2352    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    4.0188   -3.2852    0.0000 O   0  0
    3.3799   -4.6424    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    6.2500   -5.8600    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.7377    1.1027    0.0000 C   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -8.4778    1.8763    0.0000 O   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  3
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  2  3
 38 39  1  0
 39 40  2  3
 40 41  1  0
 41 42  2  3
 42 43  1  0
 42 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 49 51  1  0
 51 52  1  0
 51 53  1  0
 53 46  1  0
 51 54  1  0
 54 55  2  0
 54 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 58  1  0
 63 64  1  0
 64 65  2  0
 64 66  1  0
 66 16  1  0
 44 67  1  0
 67 68  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12436

> <plate>
PLATE 019

> <well>
E6

> <supplier_cmpd_name>
Everolimus

> <ctcr_id>
1570

> <supplier_cmpd_id>
T1784

> <smiles>
COC1CC(CCC1OCCO)CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC

> <pd_targets>
{MTOR,ABCC3,ABCB11,ABCC2,ABCC4,KCNE1,KCNQ1,FKBP1A}

> <pathway_gtopdb>
{Enzyme,Transporter,"Ion channel",Kinase,"Primary active transporter","Voltage-gated ion channel",Isomerase,"Protein Kinase","ATP-binding cassette","Potassium channels","Atypical protein kinase group"
,"ABCC subfamily","ABCB subfamily","Voltage-gated potassium channel","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Peptidyl-prolyl cis/trans isomerases",Atypical,"ABCC subfamily","ABCB subfamily","Phosphatidyl inositol 3' kinas
e-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,Hemostasis,"RNA Polymerase II Transcription","Metabolism of lipids","Disorders of transmembrane transporters","Platelet activation","signaling and
 aggregation","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","Metabolism of steroids","ABC transporter disorders","Response to eleva
ted platelet cytosolic Ca2+","Signaling by TGF-beta Receptor Complex in Cancer","Transcriptional Regulation by TP53","Bile acid and bile salt metabolism","Defective ABCC2 causes DJS","Platelet degranu
lation","Loss of Function of TGFBR1 in Cancer","Regulation of TP53 Activity","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","TGFBR1 LBD Mutants in Cancer","Regulation of 
TP53 Expression and Degradation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{Everolimus-d4,Everolimusd4,LSM-4258,LSM4258,159351-69-6,159351696,1338452-54-2,1338452542,HMS3672G03,CE0109,FT-0654851,FT0654851,Q27165445,T1784,S1120,Everolimus,Everolimus(RAD001),"Everolimus (RAD00
1)"}

> <pdid>
PD004083

> <targets>
{mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{53398658}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8994    3.7477    0.0000 N   0  0
   -5.1981    2.9954    0.0000 C   0  0
   -6.4998    3.7409    0.0000 C   0  0
   -7.7962    2.9864    0.0000 C   0  0
   -7.7910    1.4864    0.0000 C   0  0
   -6.4894    0.7409    0.0000 C   0  0
   -5.1930    1.4954    0.0000 N   0  0
   -9.0881    0.7315    0.0000 N   0  0
  -10.3910    1.4749    0.0000 C   0  0
  -11.6862    0.7183    0.0000 C   0  0
  -11.6787   -0.7816    0.0000 N   0  0
  -10.3758   -1.5251    0.0000 C   0  0
   -9.0806   -0.7685    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 C   0  0
   -4.9530   -1.9978    0.0000 C   0  0
   -4.2010   -3.2957    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 10 24  1  0
 24 25  2  0
 25  7  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 27  1  0
 26 32  1  0
 32  4  1  0
 32 33  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12437

> <plate>
PLATE 019

> <well>
E7

> <supplier_cmpd_name>
Palbociclib

> <ctcr_id>
3109

> <supplier_cmpd_id>
T1785

> <smiles>
CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O

> <pd_targets>
{DAPK3,CHEK1,CLK4,LRRK2,CCND1,CCND2,CCND3,CDK4,FLT3,CDK6,CDK9,PRKX,NEK2,PRKD3,MAP4K5,CCNT1,CDK2,JAK3,CLK2,MST1R,PRKAA1,MAP4K4,DYRK1A,DYRK1B,TAOK1,CDK5,RPS6KA3,MAPK9,CCNA2,MAP4K2,ROCK2,PAK4,ALK,RET,MET
,MAPK8,CCNB1,CDK1,CCNE1,TTK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CMGC protein kinase group","TKL protein kinase group","TK protein kinase group","AGC protein kinase group","Other protein kinase group","ST
E protein kinase group","CAMK protein kinase DAPK family","CAMK protein kinase CAMK1 family","CMGC protein kinase CLK family","TKL protein kinase LRRK family","Tyrosine protein kinase PDGFR family","C
MGC protein kinase CDK family","AGC protein kinase PKA family","Other protein kinase NEK family","CAMK protein kinase PKD family","STE protein kinase STE20 family","Tyrosine protein kinase JakA family
","Tyrosine protein kinase Met family","CMGC protein kinase DYRK family","AGC protein kinase RSK family","CMGC protein kinase MAPK family","AGC protein kinase DMPK family","TKL protein kinase STKR fam
ily","Tyrosine protein kinase Ret family","Other protein kinase TTK family","CAMK protein kinase CHK1 subfamily","CMGC protein kinase CDK9 subfamily","STE protein kinase KHS subfamily","CMGC protein k
inase CDC2 subfamily","CAMK protein kinase AMPK subfamily","STE protein kinase MSN subfamily","CMGC protein kinase Dyrk1 subfamily","STE protein kinase TAO subfamily","CMGC protein kinase CDK5 subfami
ly","AGC protein kinase RSK subfamily","CMGC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily","STE protein kinase PAKB subfamily","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","AGC: Containing
 PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Death-associated kinase (DAPK) family","CAMK-like (CAMKL) family","CLK family","TKL: Tyrosine kinase-like
","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","Protein kinase A (PKA) family","Other protein kinases","Protein kinase D (PKD) family","STE20 family","Dual-specificity tyrosine-(Y)-pho
sphorylation regulated kinase (DYRK) family","RSK family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","CHK1 subfamily","Leucine-rich repeat kinase (LRRK) family","Receptor tyrosine
 kinases (RTKs)","CDK4 subfamily","CDK9 subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","KHS subfamily","CDK1 subfamily","Non-receptor tyrosine kinases (nRTKs)","AMPK subfamil
y","MSN subfamily","Dyrk1 subfamily","TAO subfamily","CDK5 subfamily","RSK subfamily","JNK subfamily","Rho kinase","PAKB subfamily","TTK family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family",
"Janus kinase (JakA) family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIV RTKs: RET"}

> <pathway_reactome>
{"Programmed Cell Death","DNA Repair","Signal Transduction","Cell Cycle",Disease,Metabolism,"Gene expression (Transcription)","Immune System","Cellular responses to external stimuli","Developmental Bi
ology",Apoptosis,"DNA Double-Strand Break Repair","Signaling by Non-Receptor Tyrosine Kinases","Signaling by Receptor Tyrosine Kinases",Mitotic,"Infectious disease","Metabolism of lipids","RNA Polymer
ase II Transcription","Cytokine Signaling in Immune system","Cellular responses to stress","Innate Immune System","Nervous system development","Caspase activation via extrinsic apoptotic signalling pa
thway","Homology Directed Repair","Signaling by PTK6","Signaling by Insulin receptor","Mitotic G1 phase and G1/S transition","HIV Infection","Leishmania infection","Regulation of mitotic cell cycle","
Sphingolipid metabolism","Generic Transcription Pathway","Signaling by Interleukins","Signaling by MST1","Cellular Senescence","M Phase","Toll-like Receptor Cascades","Axon guidance","Caspase activati
on via Dependence Receptors in the absence of ligand","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","PTK6 promotes HIF1A stabilization","Insulin receptor signalling cas
cade","G1 Phase","HIV Life Cycle","Leishmania parasite growth and survival","APC/C-mediated degradation of cell cycle proteins","Sphingolipid de novo biosynthesis","Transcriptional Regulation by TP53"
,"Interleukin-2 family signaling","Oxidative Stress Induced Senescence","G0 and Early G1","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","Signaling by
 ROBO receptors","RET signaling","HDR through Homologous Recombination (HRR)","IRS-mediated signalling","Cyclin D associated events in G1","Late Phase of HIV Life Cycle","Anti-inflammatory response fa
vouring Leishmania parasite infection","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity","Interleukin-15 signaling","Mitotic Anaphase","MyD88
 cascade initiated on plasma membrane","Sema4D in semaphorin signaling","Activation of RAC1","Homologous DNA Pairing and Strand Exchange","PI3K Cascade","Transcription of the HIV genome","ADORA2B medi
ated anti-inflammatory cytokines production","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation
","Separation of Sister Chromatids","MAP kinase activation","Sema4D induced cell migration and growth-cone collapse","Sema4D mediated inhibition of cell attachment and migration","Presynaptic phase of
 homologous DNA pairing and strand exchange","HIV Transcription Elongation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Regulation of TP5
3 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Tat-mediated elongation of the HIV-1 transcript","APC-Cdc20 mediated degradation of Nek2A","CREB phosphorylation","Activation of 
the AP-1 family of transcription factors","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CDK4,CDK6}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{Palbociclib,571190-30-2,571190302,PD0332991,Ibrance,PD-0332991,"PD 0332991",UNII-G9ZF61LE7G,UNIIG9ZF61LE7G,"Palbociclib free base",Palbociclib-d8,Palbociclibd8,PD-332991,PD332991,"571190-30-2 (free b
ase)","571190302 (free base)",MFCD11840850,G9ZF61LE7G,Palbociclib(PD0332991),"PD 332991",CHEBI:85993,(d8)-Palbociclib,(d8)Palbociclib,T1785,T6239,758247,S1116,"Palbociclib hydrochloride"}

> <pdid>
PD003263

> <targets>
{CDK}

> <classes>
{}

> <pubchem_cids>
{5330286}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.4469   -5.2298    0.0000 C   0  0
   -2.9152   -5.5365    0.0000 C   0  0
   -3.6607   -4.2349    0.0000 C   0  0
   -2.6531   -3.1237    0.0000 S   0  0
   -5.1527   -4.0728    0.0000 C   0  0
   -6.1232   -5.2100    0.0000 C   0  0
   -7.5980   -4.9363    0.0000 C   0  0
   -8.0984   -3.5222    0.0000 C   0  0
   -9.5732   -3.2485    0.0000 F   0  0
   -7.1239   -2.3818    0.0000 C   0  0
   -5.6491   -2.6555    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 O   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 C   0  0
   -6.4894   -0.7588    0.0000 O   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 O   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -3.9038    5.2484    0.0000 O   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3034    3.7525    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
  5 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 21  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12438

> <plate>
PLATE 019

> <well>
E8

> <supplier_cmpd_name>
Canagliflozin

> <ctcr_id>
4250

> <supplier_cmpd_id>
T1782

> <smiles>
Cc1ccc(cc1Cc2ccc(s2)c3ccc(F)cc3)C4OC(CO)C(O)C(O)C4O

> <pd_targets>
{SLC5A2,SLC5A1,PROTEASE}

> <pathway_gtopdb>
{Transporter,Enzyme,"Electrochemical transporter",Protease,"SLC superfamily of solute carriers","Cysteine protease","SLC05 family of sodium-dependent glucose transporters","Cysteine protease PAC clan"
,"Cysteine protease C3A subfamily"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC5 family of sodium-dependent glucose transporters","Hexose transporter family"}

> <pathway_reactome>
{Disease,"Disorders of transmembrane transporters","SLC transporter disorders","Defective SLC5A2 causes renal glucosuria (GLYS1)","Defective SLC5A1 causes congenital glucose/galactose malabsorption (G
GM)"}

> <broad_targets>
{SLC5A1,SLC5A2}

> <broad_moa>
{"sodium/glucose cotransporter inhibitor"}

> <synonyms>
{1589590-87-3,1589590873,SCHEMBL18050907,HMS3656J04,HMS3866N13,"Canagliflozin alpha-Isomer Impurity","Canagliflozin alphaIsomer Impurity",1997338-61-0,1997338610,BCP02520,BCP33538,AKOS026750208,"Canag
liflozin (c) paragraph sign Isomer","Canagliflozin Impurity 34;Canagliflozin alpha-Isomer Impurity","Canagliflozin Impurity 34;Canagliflozin alphaIsomer Impurity",T1782,S2760,Canagliflozin}

> <pdid>
PD000132

> <targets>
{SGLT}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{74323022}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    8.9990   -3.3752    0.0000 Cl  0  0
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -3.9051   -5.2503    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
    1.2911   -5.2504    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12439

> <plate>
PLATE 019

> <well>
E9

> <supplier_cmpd_name>
Levobupivacaine

> <ctcr_id>
10942

> <supplier_cmpd_id>
T1787

> <smiles>
Cl.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C

> <pd_targets>
{KCNH2,IMPA1,CYP3A4,CYP2D6,CYP1A2,TSHR,SCN4A,SCN10A,KCND3,KCNA5,SCN1A,SCN2A,SCN3A,SCN5A,KCNK9,KCNK3,PTGER1}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Membrane receptor","Voltage-gated ion channel",Hydrolase,"Cytochrome P450","Family A G protein-coupled receptor","Potassium channels","Cytochrome P450 family 3","Cytochrome P450
 family 2","Cytochrome P450 family 1","Peptide receptor (family A GPCR)","Voltage-gated sodium channel","Voltage-gated potassium channel","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytoc
hrome P450 family 1A","Glycohormone receptor","Cytochrome P450 3A4","Cytochrome P450 2D6","Cytochrome P450 1A1","Small molecule receptor (family A GPCR)","Two-pore domain potassium channel","Lipid-lik
e ligand receptor (family A GPCR)","Prostanoid receptor"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Voltage-gated ion channels","Inositol phosphate turnover","Cytochrome P450","G protein-coupled receptors","Potassium channels","Inositol monophosphatase","CYP3 famil
y","CYP2 family: drug metabolising subset","CYP1 family","Glycoprotein hormone receptors","Voltage-gated sodium channels","Voltage-gated potassium channels","Prostanoid receptors","Two P domain potass
ium channels"}

> <pathway_reactome>
{"Muscle contraction",Metabolism,Disease,"Developmental Biology","Cardiac conduction","Inositol phosphate metabolism","Metabolism of lipids","Biological oxidations","Infectious disease","Nervous syste
m development","Phase 3 - rapid repolarisation","Synthesis of IP2",IP,"and Ins in the cytosol","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","L
eishmania infection","Axon guidance","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","L1CAM interactions","Biosynthesis of m
aresins",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Interaction between L1 and Ankyrins","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Aromatic amines 
can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Neuronal System","Signal Transduction","Potassium Channels","Signaling by GPCR","Phase 1 - 
inactivation of fast Na+ channels","Voltage gated Potassium channels","Tandem pore domain potassium channels","GPCR ligand binding","TWIK-releated acid-sensitive K+ channel (TASK)","Class A/1 (Rhodops
in-like receptors)","Eicosanoid ligand-binding receptors","Prostanoid ligand receptors"}

> <broad_targets>
{KCNA5,SCN10A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{"Bupivacaine hydrochloride","Bupivacaine HCL",18010-40-7,18010407,14252-80-3,14252803,Vivacaine,"Bupivacaine (hydrochloride)","1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride","1
butylN(2,6dimethylphenyl)piperidine2carboxamide hydrochloride",Marcain,AH-2250,AH2250,"Win 11,318",CHEBI:31322,1-Buty,1Buty,T6566,T1787,T0030,"Levobupivacaine HCl",Levobupivacaine}

> <pdid>
PD009597

> <targets>
{"Sodium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{64737}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    5.1995   -6.0025    0.0000 C   0  0
    3.9005   -5.2525    0.0000 C   0  0
    3.8995   -3.7516    0.0000 C   0  0
    5.1983   -3.0012    0.0000 O   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8982   -2.2498    0.0000 O   0  0
    3.8976   -0.7500    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.6199    3.9799    0.0000 C   0  0
   -4.2067    3.2905    0.0000 O   0  0
   -4.9546    1.9903    0.0000 N   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.2501   -0.5931    0.0000 C   0  0
   -3.2134   -1.6699    0.0000 C   0  0
   -3.6300   -3.1109    0.0000 C   0  0
   -5.0862   -3.4707    0.0000 C   0  0
   -6.1259   -2.3894    0.0000 C   0  0
   -5.7093   -0.9484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12440

> <plate>
PLATE 019

> <well>
E10

> <supplier_cmpd_name>
Parecoxib

> <ctcr_id>
11189

> <supplier_cmpd_id>
T1780

> <smiles>
CCC(=O)NS(=O)(=O)c1ccc(cc1)c1c(C)onc1c1ccccc1

> <pd_targets>
{PTGS2}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DPA-derived SPMs","Biosynthesis of DPAn-3 SPMs"}

> <broad_targets>
{LTF}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{DTXSID1044229,Parecoxib,198470-84-7,198470847,Dynastat,SC-69124,SC69124,"SC 69124",CHEBI:73038,UNII-9TUW81Y3CE,UNII9TUW81Y3CE,N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamide,N((p(5
methyl3phenyl4isoxazolyl)phenyl)sulfonyl)propionamide,9TUW81Y3CE,"N-(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl)sulfonylpropanamide","N(4(5methyl3phenyl1,2oxazol4yl)phenyl)sulfonylpropanamide",N-(4,N
(4,T1780}

> <pdid>
PD009212

> <targets>
{COX-2}

> <classes>
{Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{119828}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0  1  0  0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.9306   -2.9571    0.0000 C   0  0
   -4.4234   -3.1044    0.0000 C   0  0
   -5.0247   -1.7302    0.0000 C   0  0  2  0  0  0
   -6.4856   -1.3982    0.0000 C   0  0  2  0  0  0
   -6.9285    0.0350    0.0000 C   0  0
   -7.5062   -2.4986    0.0000 C   0  0
   -8.9696   -2.1659    0.0000 C   0  0
   -9.9902   -3.2663    0.0000 C   0  0
  -11.4529   -2.9338    0.0000 O   0  0
   -9.5473   -4.6994    0.0000 O   0  0
   -5.2621   -0.1280    0.0000 C   0  0
   -1.2991    2.2500    0.0000 C   0  0
    3.8971    3.7500    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  9 10  1  0
 10 11  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  0
 15 14  1  1
 15 10  1  0
 15 16  1  0
 16  3  1  0
 16 17  1  1
 14 18  1  6
 18 19  1  0
 20 19  1  6
 20 13  1  0
 20 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 13 28  1  6
  9 29  1  6
  6 30  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12441

> <plate>
PLATE 019

> <well>
E11

> <supplier_cmpd_name>
Obeticholic Acid

> <ctcr_id>
11190

> <supplier_cmpd_id>
T1789

> <smiles>
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]2CC[C@]3([C@H]([C@@H]2[C@@H]1O)CC[C@@H]3[C@H](C)CCC(=O)O)C)C)O

> <pd_targets>
{GPBAR1,NR1H4}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor","Family A G protein-coupled receptor","Nuclear receptor","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Lipid-like ligand
 receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group H","Steroid-like ligand receptor","Nuclear hormone receptor subfamily 1 group H member 4"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Nuclear hormone receptors","Bile acid receptor","1H. Liver X receptor-like receptors"}

> <pathway_reactome>
{Disease,Metabolism,"Infectious disease","Metabolism of lipids","Leishmania infection","Metabolism of steroids","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Anti-inf
lammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts","ADORA2B mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts v
ia 27-hydroxycholesterol"}

> <broad_targets>
{NR1H4}

> <broad_moa>
{"FXR agonist"}

> <synonyms>
{"Obeticholic acid",6-ECDCA,6ECDCA,INT-747,INT747,459789-99-2,459789992,"6-Ethylchenodeoxycholic acid","6Ethylchenodeoxycholic acid",Ocaliva,"6alpha-Ethyl-chenodeoxycholic acid","6alphaEthylchenodeoxy
cholic acid","INT 747",6-Ethyl-CDCA,6EthylCDCA,"Obetichloic acid",DSP-1747,DSP1747,UNII-0462Z4S4OZ,UNII0462Z4S4OZ,"6-ETHYL-CHENODEOXYCHOLIC ACID","6ETHYLCHENODEOXYCHOLIC ACID",6alpha,T1789,"Obeticholi
c Acid"}

> <pdid>
PD013001

> <targets>
{FXR}

> <classes>
{Metabolism}

> <pubchem_cids>
{447715}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 41  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -5.2089   -5.9859    0.0000 Cl  0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 N   0  0
   -5.1903   -1.4821    0.0000 C   0  0
   -3.8861   -0.7410    0.0000 C   0  0
   -3.8758    0.7590    0.0000 C   0  0
   -5.1696    1.5179    0.0000 C   0  0
   -6.4738    0.7769    0.0000 C   0  0
   -6.4841   -0.7230    0.0000 C   0  0
   -7.7891   -1.4644    0.0000 S   0  0
   -7.7990   -2.9644    0.0000 O   0  0
   -9.0929   -2.2060    0.0000 O   0  0
   -9.0841   -0.7058    0.0000 C   0  0
  -10.3883   -1.4467    0.0000 C   0  0
   -9.0741    0.7942    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
  7 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17  5  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 33  2  0
 32 34  2  0
 32 35  1  0
 35 36  1  0
 35 37  1  0
 24 38  2  0
 38 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12442

> <plate>
PLATE 019

> <well>
F2

> <supplier_cmpd_name>
LDK378

> <ctcr_id>
4827

> <supplier_cmpd_id>
T1791

> <smiles>
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3

> <pd_targets>
{JAK2,MKNK2,INSR,ALK,JAK3,SYK,KIT,MET,ROS1,KCNH2,FLT3,ZAP70,ROCK2,TSSK1B,FGFR3,JAK1,BTK,FGFR4,EGFR,LYN,IGF1R,ABL1,FGFR2,CDK4,RET,PDGFRA,CDK2,REP,LCK,ETV6,NTRK2,FGR,ABCB1,EML4,NTRK1,SRC,KDR}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Transcription factor",Transporter,Kinase,"Voltage-gated ion channel",Transferase,"Primary active transporter","Protein Kinase","Potassium channels","ATP-binding cassette","TK pr
otein kinase group","CAMK protein kinase group","TKL protein kinase group","Voltage-gated potassium channel","AGC protein kinase group","CMGC protein kinase group","ABCB subfamily","Tyrosine protein k
inase JakA family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase InsR family","TKL protein kinase STKR family","Tyrosine protein kinase Syk family","Tyrosine protein kinase PDGFR famil
y","Tyrosine protein kinase Met family","Tyrosine protein kinase Sev family","AGC protein kinase DMPK family","CAMK protein kinase TSSK family","Tyrosine protein kinase FGFR family","Tyrosine protein 
kinase Tec family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Ret family","CMGC protein kinase CDK family"
,"Tyrosine protein kinase Trk family","Tyrosine protein kinase VEGFR family","CAMK protein kinase MNK subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase ROCK subfamily","CMGC pr
otein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Other protein targets",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Anti-infective targets","ATP-binding cassette transpor
ter family","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Viral
 protein targets","ABCB subfamily","TK: Tyrosine kinase","MAPK-Activated Protein Kinase (MAPKAPK) family","Voltage-gated potassium channels","DMPK family","Testis specific kinase (TSSK) family","Cycli
n-dependent kinase (CDK) family","Coronavirus (CoV) proteins","Non-receptor tyrosine kinases (nRTKs)","MKN subfamily","Receptor tyrosine kinases (RTKs)","Rho kinase","CDK4 subfamily","CDK1 subfamily",
"Janus kinase (JakA) family","Type II RTKs: Insulin receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Syk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family
","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XVII RTKs: ROS receptors","Type V RTKs: FGF (fibroblast growth factor) receptor family","Tec family","Type I RTKs: ErbB (epidermal
 growth factor) receptor family","Src family","Abl family","Type XIV RTKs: RET","Type VII RTKs: Neurotrophin receptor/Trk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor fami
ly"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction","Immune System",Disease,"Developmental Biology","Muscle contraction","Gene expression (Transcription)",Metabolism,Mitotic,"Intracellular signaling by second messeng
ers","Cytokine Signaling in Immune system","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Nervous system development","Cardiac conduction","Si
gnaling by Receptor Tyrosine Kinases","Adaptive Immune System","Signaling by GPCR","RNA Polymerase II Transcription","Abacavir transport and metabolism","Mitotic G1 phase and G1/S transition","PIP3 ac
tivates AKT signaling","Signaling by Interleukins","Leishmania infection","Signaling by KIT in disease","Axon guidance","Phase 3 - rapid repolarisation","Signaling by Insulin receptor","TCR signaling"
,"Signaling by FGFR in disease","Interferon Signaling","Signaling by FGFR","GPCR downstream signalling","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by PDGFR in disea
se","Generic Transcription Pathway","SARS-CoV Infections","HIV Infection","FLT3 signaling in disease","Signaling by NTRKs","Abacavir transmembrane transport","Signaling by VEGF","G1 Phase","Negative r
egulation of the PI3K/AKT network","Interleukin-2 family signaling","Leishmania parasite growth and survival","Drug resistance of KIT mutants","Semaphorin interactions","Insulin receptor signalling ca
scade","Generation of second messenger molecules","Signaling by FGFR3 in disease","Antiviral mechanism by IFN-stimulated genes","Parasite infection","Signaling by FGFR4","G alpha (q) signalling events
","IGF1R signaling cascade","Signaling by FGFR2 in disease","RET signaling","Drug resistance of PDGFR mutants","Transcriptional Regulation by TP53","SARS-CoV-2 Infection","Host Interactions of HIV fac
tors","Signaling by FLT3 fusion proteins","Signaling by NTRK1 (TRKA)","VEGFA-VEGFR2 Pathway","Cyclin D associated events in G1",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Interleukin-15 signali
ng","Anti-inflammatory response favouring Leishmania parasite infection","Dasatinib-resistant KIT mutants","Sema4D in semaphorin signaling","IRS-mediated signalling","Signaling by FGFR3 point mutants 
in cancer","ISG15 antiviral mechanism","Leishmania phagocytosis","Downstream signaling of activated FGFR4","Gastrin-CREB signalling pathway via PKC and MAPK","IRS-related events triggered by IGF1R","F
GFR2 mutant receptor activation","Imatinib-resistant PDGFR mutants","Regulation of TP53 Activity","SARS-CoV-2 Genome Replication and Transcription","The role of Nef in HIV-1 replication and disease pa
thogenesis","Activation of TRKA receptors","Signalling to ERKs","VEGFR2 mediated cell proliferation","FCGR3A-mediated IL10 synthesis","Sema4D mediated inhibition of cell attachment and migration","PI3
K Cascade","Sema4D induced cell migration and growth-cone collapse","FGFR3 mutant receptor activation","FCGR3A-mediated phagocytosis","FRS-mediated FGFR4 signaling","EGFR Transactivation by Gastrin","
Activated point mutants of FGFR2","Regulation of TP53 Expression and Degradation","Replication of the SARS-CoV-2 genome","Nef-mediates down modulation of cell surface receptors by recruiting them to c
lathrin adapters","NGF-independant TRKA activation","Prolonged ERK activation events","Signalling to RAS","Signaling by activated point mutants of FGFR3","Regulation of TP53 Degradation","Nef Mediated
 CD4 Down-regulation","ARMS-mediated activation","p38MAPK events"}

> <broad_targets>
{ALK,FLT3,IGF1R,INSR,TSSK1B}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor"}

> <synonyms>
{ceritinib,LDK378,1032900-25-6,1032900256,ZYKADIA,LDK-378,NVP-LDK378-NX,NVPLDK378NX,"LDK 378","Ceritinib (LDK378)",UNII-K418KG2GET,UNIIK418KG2GET,"Ceritinib free base",Ceritinib(LDK378),K418KG2GET,CHE
MBL2403108,CHEBI:78432,"1032900-25-6 (free base)","1032900256 (free base)",C28H36ClN5O3S,"Ceritinib (USAN:INN)",c,T1791,776422,S7083,Ceritinib}

> <pdid>
PD004094

> <targets>
{ALK}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{57379345}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2081    5.9890    0.0000 N   0  0
   -5.2112    7.4898    0.0000 C   0  0
   -3.9134    8.2421    0.0000 O   0  0
   -6.5120    8.2384    0.0000 N   0  0
   -6.5150    9.7392    0.0000 C   0  0
   -7.8140   10.4893    0.0000 C   0  0
   -7.8140   11.9893    0.0000 C   0  0
   -6.5150   12.7393    0.0000 C   0  0
   -6.5150   14.2393    0.0000 Cl  0  0
   -5.2160   11.9893    0.0000 C   0  0
   -5.2160   10.4893    0.0000 C   0  0
   -3.9162   12.7397    0.0000 C   0  0
   -3.9153   14.2397    0.0000 F   0  0
   -2.6174   11.9893    0.0000 F   0  0
   -2.6168   13.4891    0.0000 F   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.1985    2.9859    0.0000 F   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 12 28  1  0
 28 29  1  0
 28 30  2  0
 30  9  1  0
  7 31  2  0
 31 32  1  0
 32 33  2  0
 33  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12443

> <plate>
PLATE 019

> <well>
F3

> <supplier_cmpd_name>
Regorafenib

> <ctcr_id>
4826

> <supplier_cmpd_id>
T1792

> <smiles>
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1

> <pd_targets>
{PDGFRB,RET,GLRA1,TEK,RAF1,KDR,KIT,BRAF,FLT4,EPHX2,FLT1,FGFR1,FLT3,PDGFRA,DDR2,FRK,FGFR2,MAPK11,ABL1,NTRK1,EPHA2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Ligand-gated ion channel",Protease,"Protein Kinase","Glycine receptor","Serine protease","TK protein kinase group","TKL protein kinase group","Serine protease SC clan","C
MGC protein kinase group","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Tie family","TKL protein kinase RAF family","Tyrosine protein kinase VEGF
R family","Serine protease S33 family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Src family","CMGC protein kinase MAPK family","Tyrosine prote
in kinase Abl family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Eph family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Catalytic receptors","Ligand-gated ion channels",Hydrolases,"Kinases (EC 2.7.x.x)","Receptor kinases","Glycine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK famil
ies","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)","Receptor tyrosine kinases (RTKs)","RAF family","Non-receptor tyrosine kinases (nRTKs)","p38 su
bfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Type XII RTKs: TIE family of angiopoietin receptors","Type IV RTKs: VEGF (vascular endothelial growth factor) rece
ptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Src family","Abl family","Type VII RTKs: Neurotrophin receptor/Trk family","
Type XIII RTKs: Ephrin receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Neuronal System",Disease,Metabolism,"Extracellular matrix organization","Immune System","Intracellular signaling by second messengers","Nervous system d
evelopment","Transmission across Chemical Synapses","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second mes
sengers","Metabolism of lipids","Non-integrin membrane-ECM interactions","Innate Immune System","Infectious disease","PIP3 activates AKT signaling","Axon guidance","Neurotransmitter receptors and post
synaptic signal transmission","MAPK1/MAPK3 signaling","Signaling by VEGF","Signaling by KIT in disease","Signaling by NTRKs","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by F
GFR in disease","Signaling by Insulin receptor","Toll-like Receptor Cascades","Leishmania infection","Signaling by PDGFR in disease","Negative regulation of the PI3K/AKT network","RET signaling","RAF/
MAP kinase cascade","VEGFA-VEGFR2 Pathway","Drug resistance of KIT mutants","Signaling by NTRK1 (TRKA)","VEGF ligand-receptor interactions","Biosynthesis of DHA-derived SPMs","Signaling by FGFR1 in di
sease","Insulin receptor signalling cascade","PTEN Regulation","Signaling by FGFR2 in disease","Toll Like Receptor 5 (TLR5) Cascade","Parasite infection","Drug resistance of PDGFR mutants","EPH-Ephrin
 signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Negative regulation of MAPK pathway","VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","Signalling to ERKs","VEGF bin
ds to VEGFR leading to receptor dimerization","Biosynthesis of maresins","FGFR1 mutant receptor activation","IRS-mediated signalling","Regulation of PTEN stability and activity","FGFR2 mutant receptor
 activation","MyD88 cascade initiated on plasma membrane","Leishmania phagocytosis","Imatinib-resistant PDGFR mutants","EPHA-mediated growth cone collapse","Negative feedback regulation of MAPK pathwa
y","Prolonged ERK activation events","Signaling by activated point mutants of FGFR1","PI3K Cascade","Activated point mutants of FGFR2","MAP kinase activation","FCGR3A-mediated phagocytosis","ARMS-medi
ated activation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,BRAF,DDR2,EPHA2,FGFR1,FGFR2,FLT1,FLT4,FRK,KDR,KIT,MAPK11,NTRK1,PDGFRA,PDGFRB,RAF1,RET,TEK}

> <broad_moa>
{"FGFR inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","RAF inhibitor","RET tyrosine kinase inhibitor","VEGFR inhibitor"}

> <synonyms>
{"EGORAFENIB (BAY 734506",Regorafenib,755037-03-7,755037037,"BAY 73-4506","BAY 734506",Stivarga,Regorafenibum,"Regorafenib (BAY 73-4506)","Regorafenib (BAY 734506)",BAY73-4506,BAY734506,BAY-73-4506,UN
II-24T2A1DOYB,UNII24T2A1DOYB,24T2A1DOYB,CHEMBL1946170,CHEBI:68647,"Stivarga (TN)","BAY73-4506 hydrochloride","BAY734506 hydrochloride",1255386-16-3,1255386163,Regor,T1792,763932,S1178,regorafenib,"BAY
 73-4506(Regorafenib)"}

> <pdid>
PD003518

> <targets>
{VEGFR-PDGFR,c-Kit,Raf,VEGFR,c-RET}

> <classes>
{"Protein Tyrosine Kinase","Kinase inhibitor"}

> <pubchem_cids>
{11167602}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 90 95  0  0  1  0            999 V2000
  -22.9307   -6.4219    0.0000 S   0  0
  -24.3984   -6.7312    0.0000 O   0  0
  -21.9293   -7.5387    0.0000 O   0  0
  -22.4634   -4.9957    0.0000 O   0  0
  -20.9949   -4.6862    0.0000 C   0  0
  -20.5317   -3.2595    0.0000 C   0  0
  -19.0645   -2.9471    0.0000 C   0  0
  -19.1153   -1.4471    0.0000 C   0  0  2  0  0  0
  -20.4392   -0.7419    0.0000 O   0  0
  -17.8422   -0.6524    0.0000 C   0  0  1  0  0  0
  -17.3785    0.7741    0.0000 O   0  0
  -16.8383   -1.7693    0.0000 C   0  0  2  0  0  0
  -17.6333   -3.2422    0.0000 N   0  0
  -19.2600   -3.2855    0.0000 C   0  0
  -19.9774   -4.6028    0.0000 O   0  0
  -20.0874   -1.9265    0.0000 C   0  0  1  0  0  0
  -21.5724   -0.9339    0.0000 N   0  0
  -21.5924    0.6589    0.0000 C   0  0
  -22.9127    1.3708    0.0000 O   0  0
  -20.2087    1.5445    0.0000 C   0  0  1  0  0  0
  -20.6984    3.0588    0.0000 N   0  0
  -19.7095    4.3735    0.0000 C   0  0
  -20.3659    5.7222    0.0000 O   0  0
  -18.0568    4.3405    0.0000 C   0  0  1  0  0  0
  -17.6008    2.9164    0.0000 N   0  0
  -16.1343    2.5971    0.0000 C   0  0
  -15.1254    3.7071    0.0000 O   0  0
  -15.6767    1.1677    0.0000 C   0  0
  -17.0027    0.4665    0.0000 C   0  0
  -17.0585   -1.0325    0.0000 C   0  0
  -15.7882   -1.8303    0.0000 C   0  0
  -15.8440   -3.3300    0.0000 C   0  0
  -17.0874   -4.1461    0.0000 N   0  0
  -16.6750   -5.5883    0.0000 O   0  0
  -15.1759   -5.6417    0.0000 C   0  0
  -14.6619   -4.2325    0.0000 C   0  0
  -14.3376   -6.8865    0.0000 C   0  0
  -14.8918   -8.2750    0.0000 C   0  0
  -13.9626   -9.4525    0.0000 C   0  0
  -12.4783   -9.2367    0.0000 C   0  0
  -11.5462  -10.4130    0.0000 O   0  0
  -10.0762  -10.7159    0.0000 C   0  0
   -9.6027  -12.1400    0.0000 C   0  0
   -8.1327  -12.4429    0.0000 C   0  0
   -7.6592  -13.8671    0.0000 C   0  0
   -6.1900  -14.1698    0.0000 C   0  0
  -11.9230   -7.8432    0.0000 C   0  0
  -12.8522   -6.6656    0.0000 C   0  0
  -14.4622   -1.1291    0.0000 C   0  0
  -14.4064    0.3698    0.0000 C   0  0
  -17.6798    5.9293    0.0000 C   0  0
  -16.3048    6.0351    0.0000 C   0  0  1  0  0  0
  -15.6003    4.7108    0.0000 O   0  0
  -15.0492    7.6212    0.0000 C   0  0  1  0  0  0
  -15.5038    9.0507    0.0000 O   0  0
  -12.9931    7.0179    0.0000 N   0  0
  -13.0616    5.5968    0.0000 C   0  0
  -14.4801    5.1092    0.0000 O   0  0
  -11.8637    4.2039    0.0000 C   0  0  1  0  0  0
  -12.1027    2.5598    0.0000 N   0  0
  -11.7521    1.2353    0.0000 C   0  0
  -10.2614    1.0683    0.0000 O   0  0
  -12.5255   -0.2432    0.0000 C   0  0  1  0  0  0
  -13.7347   -1.2031    0.0000 N   0  0
  -14.9869   -1.2305    0.0000 C   0  0
  -15.2148    0.2521    0.0000 O   0  0
  -11.4016   -1.2501    0.0000 C   0  0  2  0  0  0
   -9.9760   -0.7833    0.0000 O   0  0
  -11.7098   -2.7189    0.0000 C   0  0
  -13.1356   -3.1873    0.0000 C   0  0
  -13.4437   -4.6553    0.0000 O   0  0
  -14.2533   -2.1868    0.0000 N   0  0
  -10.4889    2.4677    0.0000 C   0  0
   -9.3695    3.7338    0.0000 C   0  0  1  0  0  0
  -10.5336    4.9233    0.0000 C   0  0  2  0  0  0
  -10.3091    6.4064    0.0000 O   0  0
   -7.8699    3.7718    0.0000 C   0  0
  -18.7983    1.0449    0.0000 C   0  0  2  0  0  0
  -18.5239   -0.4298    0.0000 O   0  0
  -17.6581    2.0196    0.0000 C   0  0
  -22.7818   -1.7733    0.0000 C   0  0
  -22.5467   -3.0624    0.0000 C   0  0  2  0  0  0
  -23.6536   -4.0748    0.0000 O   0  0
  -21.1198   -3.4564    0.0000 C   0  0
  -18.0606   -4.0617    0.0000 C   0  0
  -18.5237   -5.4884    0.0000 C   0  0
  -19.9908   -5.8007    0.0000 C   0  0
  -20.4540   -7.2274    0.0000 O   0  0
  -23.3969   -7.8476    0.0000 O   0  5
    7.2004   -4.8842    0.0000 Na  0  3
  1  2  2  0
  1  3  2  0
  1  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  1
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  1
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  6
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 32  1  0
 35 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 40 47  1  0
 47 48  2  0
 48 37  1  0
 31 49  1  0
 49 50  2  0
 50 28  1  0
 24 51  1  0
 51 52  1  0
 52 53  1  6
 52 54  1  0
 54 55  1  1
 54 56  1  0
 56 57  1  0
 57 58  2  0
 59 57  1  6
 59 60  1  0
 60 61  1  0
 61 62  2  0
 61 63  1  0
 63 64  1  6
 64 65  1  0
 65 12  1  0
 65 66  2  0
 63 67  1  0
 67 68  1  6
 67 69  1  0
 69 70  1  0
 70 71  2  0
 70 72  1  0
 60 73  1  0
 73 74  1  0
 74 75  1  0
 75 59  1  0
 75 76  1  1
 74 77  1  1
 20 78  1  0
 78 79  1  1
 78 80  1  0
 17 81  1  0
 81 82  1  0
 82 83  1  1
 82 84  1  0
 16 84  1  1
  7 85  2  0
 85 86  1  0
 86 87  2  0
 87  5  1  0
 87 88  1  0
  1 89  1  0
M  CHG  2  89  -1  90   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12444

> <plate>
PLATE 019

> <well>
F4

> <supplier_cmpd_name>
Micafungin sodium

> <ctcr_id>
11191

> <supplier_cmpd_id>
T1794

> <smiles>
S(=O)(=O)(Oc1cc([C@H](O)[C@@H](O)[C@@H]2NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c4ccc(c5noc(c5)c5ccc(OCCCCC)cc5)cc4)C[C@@H](O)[C@@H](O)NC(=O)[C@H]4N(C(=O)[C@@H](NC2=O)[C@H](O)CC(=O)N)C[C@@H]([C@@
H]4O)C)[C@H](O)C)C[C@H](O)C3)ccc1O)[O-].[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Micafungin sodium",208538-73-2,208538732,Mycamine,FK-463,FK463,UNII-IS1UP79R56,UNIIIS1UP79R56,Funguard,IS1UP79R56,CHEBI:80105,"FK463 Sodium","Funguard (TN)","Mycamine (TN)","FK 463",MCFG,"Micafungin
 sodium salt","Micafungin sodium (USAN)",C56H70N9NaO23S,Mica,T1794}

> <pdid>

> <targets>
{1,"3-beta-D-glucan synthesis"}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{23666118}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 52 55  0  0  1  0            999 V2000
    2.6304   11.9895    0.0000 C   0  0
    2.6316   10.4895    0.0000 C   0  0
    1.7658    9.9891    0.0000 C   0  0
    3.9315    9.7393    0.0000 C   0  0
    3.9327    8.2384    0.0000 C   0  0  2  0  0  0
    2.6318    7.4901    0.0000 N   0  0
    1.3327    8.2417    0.0000 C   0  0
    1.3340    9.2417    0.0000 O   0  0
    0.0318    7.4934    0.0000 C   0  0  2  0  0  0
    0.0268    5.9925    0.0000 C   0  0
   -1.2750    5.2456    0.0000 C   0  0
   -1.2799    3.7448    0.0000 C   0  0
    0.0150    2.9878    0.0000 C   0  0
    0.0070    1.4878    0.0000 C   0  0
   -1.2961    0.7448    0.0000 C   0  0
   -2.5911    1.5018    0.0000 C   0  0
   -2.5830    3.0018    0.0000 C   0  0
   -1.2673    8.2450    0.0000 N   0  0
   -2.5682    7.4967    0.0000 C   0  0
   -2.5701    5.9967    0.0000 O   0  0
   -3.8672    8.2483    0.0000 C   0  0
   -5.1682    7.4999    0.0000 N   0  0
   -6.4676    8.2493    0.0000 C   0  0
   -7.7663    7.4987    0.0000 C   0  0
   -7.7656    5.9987    0.0000 O   0  0
   -6.4663    5.2493    0.0000 C   0  0
   -5.1676    5.9999    0.0000 C   0  0
    5.2317    7.4868    0.0000 C   0  0
    5.2305    6.4868    0.0000 O   0  0
    6.5327    8.2352    0.0000 N   0  0
    7.8317    7.4835    0.0000 C   0  0  1  0  0  0
    7.8267    5.9827    0.0000 C   0  0
    6.5250    5.2358    0.0000 C   0  0
    5.2263    5.9866    0.0000 C   0  0
    3.9268    5.2374    0.0000 C   0  0
    3.9258    3.7374    0.0000 C   0  0
    5.2244    2.9866    0.0000 C   0  0
    6.5239    3.7357    0.0000 C   0  0
    9.1327    8.2319    0.0000 C   0  0
    9.1339    9.2319    0.0000 O   0  0
   10.4317    7.4802    0.0000 N   0  0
   11.7326    8.2286    0.0000 C   0  0  1  0  0  0
   11.7314    9.7294    0.0000 C   0  0
   10.4316   10.4796    0.0000 C   0  0
   10.4304   11.9796    0.0000 C   0  0
    9.5658    9.9792    0.0000 C   0  0
   13.0317    7.4769    0.0000 C   0  0
   13.0298    5.9769    0.0000 O   0  0
   14.3326    8.2253    0.0000 C   0  0  1  0  0  0
   15.6307    7.4737    0.0000 C   0  0
   13.5843    9.3922    0.0000 C   0  0
   15.0843    9.3901    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  9 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
  5 28  1  0
 28 29  2  0
 28 30  1  0
 31 30  1  6
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 31 39  1  0
 39 40  2  0
 39 41  1  0
 42 41  1  1
 42 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  1  0
 42 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  6
 49 51  1  0
 51 52  1  0
 52 49  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12445

> <plate>
PLATE 019

> <well>
F5

> <supplier_cmpd_name>
Carfilzomib

> <ctcr_id>
5576

> <supplier_cmpd_id>
T1795

> <smiles>
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]4(C)CO4

> <pd_targets>
{PSMB5,PSMB2,PSMB1,CYP3A4,CYP3A43,CYP3A5,CYP3A7,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB3,PSMB4,PSMB6,PSMB7,PSMB8,PSMB9,CTSB,ADRM1,PSMC1,PSMC2,PSMC3,PSMC4,PSMC5,PSMC6,PSMD1,P
SMD11,PSMD12,PSMD13,PSMD14,PSMD2,PSMD3,PSMD4,PSMD6,PSMD7,PSMD8,SEM1,GSTO1,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Protease,"Cytochrome P450",Hydrolase,Oxidoreductase,"Voltage-gated ion channel","Threonine protease","Cytochrome P450 family 3","Cysteine protease","Metallo protease","Potassium 
channels","Threonine protease PBT clan","Cytochrome P450 family 3A","Cysteine protease CA clan","Metallo protease MP clan","Voltage-gated potassium channel","Threonine protease T1A subfamily","Cytochr
ome P450 3A4","Cysteine protease C1A family","Metallo protease M67 family","Threonine protease T1B subfamily","Metallo protease M67A subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Peptidases and proteinases","2.5.1.18 Glutathione transferases","Voltage-gated ion channels","PB: Threonine (T) Peptidases","CA: Cysteine (C) Peptidases","Potassium channels",
"T1: Proteasome","C1: Papain","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Muscle contraction",Mitotic,"Innate Immune System","Cytokine Signaling in Immune system","Cardiac conduction","Regulation of mitotic cell cycle","Toll-like Receptor Casc
ades","Signaling by Interleukins","Phase 3 - rapid repolarisation","APC/C-mediated degradation of cell cycle proteins","Trafficking and processing of endosomal TLR","Interleukin-12 family signaling","
Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Interleukin-12 signaling","APC/C:Cdc20 mediated degradation of mitotic proteins","Gene and protein expression by JAK-STAT
 signaling after Interleukin-12 stimulation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cycl
in A"}

> <broad_targets>
{PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB1,PSMB10,PSMB11,PSMB2,PSMB3,PSMB4,PSMB5,PSMB6,PSMB7,PSMB8,PSMB9}

> <broad_moa>
{"proteasome inhibitor"}

> <synonyms>
{Carfilzomib,868540-17-4,868540174,Kyprolis,"Carfilzomib (PR-171)","Carfilzomib (PR171)",PR-171,PR171,UNII-72X6E3J5AR,UNII72X6E3J5AR,72X6E3J5AR,CHEMBL451887,CHEBI:65347,NCGC00249613-01,NCGC0024961301,
DSSTox_CID_28616,DSSToxCID28616,DSSTox-CID-28616,"DSSTox CID 28616",DSSTox_RID_82886,DSSToxRID82886,DSSTox-RID-82886,"DSSTox RID 82886",DSSTox_GSID_48690,DSSToxGSID48690,DSSTox-GSID-48690,"DSSTox GSID
 48690",CAS-868540-17-4,CAS868540174,"Carfilzomib (USAN:INN",T1795,758252,S2853,"NSC 758252"}

> <pdid>
PD004089

> <targets>
{Apoptosis,Autophagy,Proteasome}

> <classes>
{Proteasome inhibitor,Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{11556711}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 38  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3000   -2.2500    0.0000 N   0  0
    2.6000   -1.5000    0.0000 C   0  0
    3.9000   -2.2500    0.0000 C   0  0
    5.2000   -1.5000    0.0000 N   0  0
    6.5000   -2.2500    0.0000 C   0  0
    7.8000   -1.5000    0.0000 C   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    6.4969    2.2508    0.0000 C   0  0
    5.1961    2.9994    0.0000 C   0  0
    5.1908    4.4994    0.0000 C   0  0
    3.8892    5.2449    0.0000 C   0  0
    2.5928    4.4904    0.0000 C   0  0
    1.2889    5.2337    0.0000 C   0  0
   -0.0072    4.4769    0.0000 N   0  0
   -1.3115    5.2179    0.0000 C   0  0
   -2.6057    4.4580    0.0000 C   0  0
   -2.5957    2.9572    0.0000 C   0  0
   -3.8900    2.1973    0.0000 N   0  0
   -3.8800    0.6965    0.0000 C   0  0
   -5.1743   -0.0634    0.0000 C   0  0
   -5.1643   -1.5642    0.0000 N   0  0
   -3.8600   -2.3051    0.0000 C   0  0
   -2.5658   -1.5452    0.0000 C   0  0
   -2.5758   -0.0444    0.0000 C   0  0
   -1.2815    0.7155    0.0000 N   0  0
   -1.2915    2.2163    0.0000 C   0  0
    0.0028    2.9761    0.0000 C   0  0
    2.5979    2.9904    0.0000 C   0  0
    3.8996    2.2449    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  1  1  0
 10 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 21  1  0
 19 35  1  0
 35 36  2  0
 36 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12446

> <plate>
PLATE 019

> <well>
F6

> <supplier_cmpd_name>
Plerixafor

> <ctcr_id>
1777

> <supplier_cmpd_id>
T1776

> <smiles>
C1CNCCNCCCN(CCNC1)Cc2ccc(CN3CCCNCCNCCCNCC3)cc2

> <pd_targets>
{KMT2A,MEN1,BLM,CXCR4,ACKR3,CCR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Membrane receptor",Reader,"Family A G protein-coupled receptor",Bromodomain,"Peptide receptor (family A GPCR)","Chemokine receptor","CXC chemokine receptor","CC chemoki
ne receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Chemokine receptors"}

> <pathway_reactome>
{"DNA Repair",Disease,"Signal Transduction","DNA Double-Strand Break Repair","Infectious disease","Signaling by GPCR","Homology Directed Repair","HIV Infection","GPCR ligand binding","HDR through Homo
logous Recombination (HRR) or Single Strand Annealing (SSA)","HIV Life Cycle","Class A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR)","Early Phase of HIV Life Cycle","Pepti
de ligand-binding receptors","Homologous DNA Pairing and Strand Exchange","Binding and entry of HIV virion","Chemokine receptors bind chemokines","Presynaptic phase of homologous DNA pairing and stran
d exchange"}

> <broad_targets>
{ACKR3,CCR4,CXCR4}

> <broad_moa>
{"CC chemokine receptor antagonist"}

> <synonyms>
{Plerixafor,110078-46-1,110078461,Mozobil,AMD3100,"1,4-Bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene","1,4Bis((1,4,8,11tetraazacyclotetradecan1yl)methyl)benzene","Amd 3100","bicyclam JM-29
87","bicyclam JM2987","plerixafor (amd3100)","Plerixafor hydrochloride",AMD-3100,"SDZ SID 791",JM3100,"JM 3100",JM-3100,UNII-S915P549,UNIIS915P549,T1776,T1776L,761388,"AMD 3100 octahydrochloride"}

> <pdid>
PD004078

> <targets>
{}

> <classes>
{"CXCR4 antoginst"}

> <pubchem_cids>
{65015}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  1  0            999 V2000
   12.2327    0.2674    0.0000 Cl  0  5
   -2.6395    3.8685    0.0000 O   0  0
   -1.3618    3.0827    0.0000 C   0  0
    0.0000    3.7710    0.0000 C   0  0
    1.0625    3.0827    0.0000 C   0  0
    1.0625    1.6760    0.0000 C   0  0
    2.3045    0.9727    0.0000 C   0  0
    2.3045   -0.4040    0.0000 C   0  0  1  0  0  0
    3.2622   -1.0625    0.0000 N   0  0
    3.2622   -1.9005    0.0000 C   0  0
    0.0000   -1.9005    0.0000 C   0  0
    0.0000   -0.4040    0.0000 C   0  0  1  0  0  0
   -1.3618   -1.1223    0.0000 C   0  0  1  0  0  0
   -2.5589    0.2394    0.0000 O   0  0
   -1.3618    1.6760    0.0000 C   0  0
    0.0000    0.9727    0.0000 C   0  0
   -1.3618   -2.5589    0.0000 C   0  0
   -2.6462   -3.3336    0.0000 O   0  0
    0.0000   -3.2772    0.0000 C   0  0
    1.0774   -2.5589    0.0000 C   0  0
    1.0774   -1.1373    0.0000 C   0  0  1  0  0  0
    2.3821   -1.8775    0.0000 O   0  0
    4.6577   -0.4958    0.0000 C   0  0
    5.8415   -1.4184    0.0000 C   0  0
    7.2320   -0.8558    0.0000 C   0  0
    9.7327    0.2674    0.0000 H   0  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 12 11  1  1
 12 13  1  0
 13 14  1  6
 14 15  1  0
 15  3  1  0
 15 16  2  0
 16  6  1  0
 16 12  1  0
 13 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21  8  1  0
 21 12  1  0
 21 22  1  1
  9 23  1  0
 23 24  1  0
 24 25  2  0
M  CHG  2   1  -1  26   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12447

> <plate>
PLATE 019

> <well>
F7

> <supplier_cmpd_name>
Naloxone hydrochloride

> <ctcr_id>
4880

> <supplier_cmpd_id>
T0102

> <smiles>
[Cl-].Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC=C.[H+]

> <pd_targets>
{LMNA,MAPT,BLM,OPRK1,OPRD1,OPRM1,CCR5,TGR,CYP2D6,CREB1,ESR1,TLR4}

> <pathway_gtopdb>
{"Other nuclear protein","Other cytosolic protein",Enzyme,"Membrane receptor","Unclassified protein","Transcription factor","Family A G protein-coupled receptor","Cytochrome P450","Nuclear receptor",H
ydrolase,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 3","Short peptide receptor (family A GPCR)","Chemokine receptor","Cytochrome P450 family 2D",
"Nuclear hormone receptor subfamily 3 group A","Opioid receptor","CC chemokine receptor","Cytochrome P450 2D6","Nuclear hormone receptor subfamily 3 group A member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Nuclear hormone receptors","Catalytic receptors","Opioid receptors","Chemokine receptors","CYP2 family: drug metabolising subset","S
teroid hormone receptors","Pattern recognition receptors","3A. Estrogen receptors","Toll-like receptor family"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System","DNA Repair",Mitotic,"Transmission across Chemical Synapses","DNA Double-Strand Break Repair","M Phase","Neurotransmitter receptors and postsynaptic signal transmission
","Homology Directed Repair","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Mito
tic Anaphase","Post NMDA receptor activation events","HDR through Homologous Recombination (HRR)","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing a
nd Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Gene expression (Transcription)","Signal Transduction",Disease,
Metabolism,"Immune System","RNA Polymerase II Transcription","Signaling by GPCR","Infectious disease","Biological oxidations","Innate Immune System","Generic Transcription Pathway","GPCR ligand bindin
g","GPCR downstream signalling","HIV Infection","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Transcriptional Regulation by MECP2","Class A/1 (Rhodopsin-like receptors)","G
 alpha (i) signalling events","HIV Life Cycle","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX1","Toll Like Receptor 4 (TLR4) C
ascade","MECP2 regulates neuronal receptors and channels","Peptide ligand-binding receptors","Opioid Signalling","Early Phase of HIV Life Cycle",Xenobiotics,"MyD88 cascade initiated on plasma membrane
","RUNX1 regulates estrogen receptor mediated transcription","MyD88-independent TLR4 cascade","G-protein activation","Binding and entry of HIV virion","CYP2E1 reactions","MAP kinase activation","TRIF(
TICAM1)-mediated TLR4 signaling","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","CREB phosphorylation"}

> <broad_targets>
{CREB1,ESR1,OPRD1,OPRK1,OPRM1,TLR4}

> <broad_moa>
{"opioid receptor antagonist"}

> <synonyms>
{RESTW11,"Naloxone hydrochloride","Naloxone HCl",357-08-4,357084,Narcan,"Naloxone (hydrochloride)","NIH 7890",UNII-F850569PQR,UNIIF850569PQR,EN-15304,EN15304,CHEBI:31892,F850569PQR,MFCD00069322,"357-0
8-4 (HCl)","357084 (HCl)",Narcanti,17-Allyl-4,17Allyl4,5alpha-epoxy-3,5alphaepoxy3,"14-dihydroxymorphinan-6-one hydrochl","14dihydroxymorphinan6one hydrochl",S3066,SAM002703137,Prestw-111,CPD000058766
}

> <pdid>
PD007525

> <targets>
{"Opioid Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{44666320,5464092,46911858}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    1.6317   -2.2458    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 S   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6332   -2.2426    0.0000 N   0  0
   -3.1255   -2.0835    0.0000 C   0  0
   -3.7332   -0.7122    0.0000 C   0  0
   -4.0097   -3.2952    0.0000 O   0  0
    0.0000    2.7742    0.0000 S   0  0
   -1.2993    3.5238    0.0000 N   0  0
    1.2985    3.5251    0.0000 O   0  0
   -0.0007    4.2742    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  8 10  2  0
  4 11  1  0
 11 12  1  0
 11 13  2  0
 11 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12448

> <plate>
PLATE 019

> <well>
F8

> <supplier_cmpd_name>
Methazolamide

> <ctcr_id>
5848

> <supplier_cmpd_id>
T0106

> <smiles>
CN1N=C(SC1=NC(C)=O)[S](N)(=O)=O

> <pd_targets>
{CA2,CA5A,CA5B,CA9,CA4,MTCA1,CA7,CA12,CA6,CA1,CA13,CA14,CA3,HPGD,NCE103,MTCA2,CYNT,HSD17B10,CA15,HTT,CYP2C9,FFP,MAPT,1272966}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein",Lyase,Oxidoreductase,"Cytochrome P450",Transferase,"Cytochrome P450 family 2","Cytochrome P450 family 2C","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases","Eicosanoid turnover","Cytochrome P450","Prostaglandin synthases","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{"Transport of small molecules",Metabolism,"Cellular responses to external stimuli","Immune System","Gene expression (Transcription)","Neuronal System","O2/CO2 exchange in erythrocytes","Reversible hy
dration of carbon dioxide","Cellular responses to stress","Cytokine Signaling in Immune system","Metabolism of lipids","Metabolism of amino acids and derivatives","RNA Polymerase II Transcription","Bi
ological oxidations","Transmission across Chemical Synapses","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","Signaling by Interleukins","Biosynthesis of specia
lized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Generic Transcription Pathway","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic sign
al transmission","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 family signaling","Biosynthesis of DHA-derived SPMs","Transcriptional Regulation by MECP2","Cytochrome P450
 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events","Interleukin-12 signaling","Biosynthesis of D-series resolvins","Regulation of MECP2 expression and activity",Xeno
biotics,"Post NMDA receptor activation events","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","CYP2E1 reactions","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{CA1,CA12,CA14,CA2,CA4,CA7}

> <broad_moa>
{"carbonic anhydrase inhibitor"}

> <synonyms>
{methazolamide,554-57-4,554574,Neptazane,Methenamide,Neptazaneat,Naptazane,"N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide","N(3methyl5sulfamoyl1,3,4thiadiazol2ylidene)acetamide",(Z)-met
hazolamide,(Z)methazolamide,UNII-W733B0S9SD,UNIIW733B0S9SD,CHEBI:6822,L584601,UNII-DA43GW06P1,UNIIDA43GW06P1,MLS000028532,CHEMBL288100,DA43GW06P1,W733B,SAM002589943,Prestw-802,S4039,CPD001496938,Metha
zolamide}

> <pdid>
PD001023

> <targets>
{"Carbonic Anhydrase"}

> <classes>
{Metabolism}

> <pubchem_cids>
{4100}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    5.0987   -1.7113    0.0000 O   0  0
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -2.2051   -3.7579    0.0000 C   0  0
   -2.9890   -5.0368    0.0000 C   0  0
   -2.4151   -6.4227    0.0000 O   0  0
   -4.4475   -4.6865    0.0000 C   0  0
   -5.5889   -5.6570    0.0000 C   0  0
   -7.0021   -5.1541    0.0000 O   0  0
   -4.5650   -3.1911    0.0000 C   0  0
   -5.8390   -2.3993    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 11  1  0
 18 19  2  0
 10 20  1  0
 20  7  1  0
 20 21  2  0
 21  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12449

> <plate>
PLATE 019

> <well>
F9

> <supplier_cmpd_name>
Entecavir hydrate

> <ctcr_id>
2365

> <supplier_cmpd_id>
T0085

> <smiles>
O.Nc1nc(O)c2ncn(C3CC(O)C(CO)C3=C)c2n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Entecavir Hydrate",S1252}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{21924982}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0  2  0  0  0
   -4.8896   -2.5354    0.0000 O   0  0
   -6.2433   -1.8893    0.0000 C   0  0  2  0  0  0
   -7.5587   -2.6066    0.0000 C   0  0
   -7.5961   -4.1061    0.0000 O   0  0
   -6.0471   -0.4022    0.0000 C   0  0  1  0  0  0
   -7.1349    0.6307    0.0000 O   0  0
   -4.5721   -0.1292    0.0000 C   0  0  2  0  0  0
   -3.9177    1.2205    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
 10  6  2  0
 11  7  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  1  1
 16 18  1  0
 18 11  1  0
 18 19  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12450

> <plate>
PLATE 019

> <well>
F10

> <supplier_cmpd_name>
Vidarabine

> <ctcr_id>
1871

> <supplier_cmpd_id>
T1506

> <smiles>
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O

> <pd_targets>
{AHCY,NS5B,ADCY5,DPP4,TK,KMT2A,MEN1,RXFP1,HIF1A,AMPC,HTT,MAPK1,RORC,CYP3A4,LMNA,ADORA2A,ADORA2B,SLC28A1,ADORA1,ADORA3,GAPDH,AK,SLC28A2,SLC29A1,PI4K2A,PI4K2B,STAT6,DOT1L,PI4KA,PI4KB,SLC28A3,PRKACA,PRKA
CB,PRKAR2A,PRKAR2B,MAP3K7,TRPM4,MAPT,ADK,ADOK}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Transcription factor","Unclassified protein","Other nuclear protein",Hydrolase,Transferase,Lyase,Protease,Reader,"Family A G protein-coupled recepto
r",Kinase,"Nuclear receptor","Cytochrome P450","Serine protease",Bromodomain,"Peptide receptor (family A GPCR)","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Seri
ne protease SC clan","Relaxin-like peptide receptor (family A GPCR)","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Serine protease S9B subfami
ly","Relaxin receptor","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","CMGC protein kinase ERK1",Transporter,"Ion channel","Electrochem
ical transporter",Oxidoreductase,Writer,"Voltage-gated ion channel","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Protein methyltransferase","Transient receptor poten
tial channel","Nucleotide-like receptor (family A GPCR)","SLC28 and SLC29 families of nucleoside transporters","AGC protein kinase group","TKL protein kinase group","Adenosine receptor","SLC28 Na+-cou
pled nucleoside transport family","SLC29 Facilitative nucleoside transporter family","AGC protein kinase PKA family","TKL protein kinase MLK family","TKL protein kinase TAK1 subfamily","Other cytosoli
c protein"}

> <pathway_chembl>
{Enzymes,Receptors,"Adenosine turnover","Cyclic nucleotide turnover/signalling","Peptidases and proteinases","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Cytochrom
e P450","Adenylyl cyclases (ACs)","SC: Serine (S) Peptidases","Relaxin family peptide receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","CYP3 family","S9: 
Prolyl oligopeptidase","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily",Transporters,"Other protein targets","Ion channels","SLC superfamily of solute carriers","Glycerophospholipid t
urnover","Transcription factors","Chromatin modifying enzymes","Catalytic receptors","Voltage-gated ion channels","SLC28 and SLC29 families of nucleoside transporters","Adenosine receptors","Phosphati
dylinositol kinases","STAT transcription factors","2.1.1.43 Histone methyltransferases (HMTs)","Receptor kinases","Transient Receptor Potential channels","SLC28 family","SLC29 family","TKL: Tyrosine k
inase-like","Mixed Lineage Kinase (MLK) family","TAK1 subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Metabolism of proteins","Cellular responses to external stimuli","Gene expression (Transcription)","Immune System",Metabolism,"Cell Cycle","Diseases of metabolism","Infecti
ous disease","Transmission across Chemical Synapses","Peptide hormone metabolism","Cellular responses to stress","RNA Polymerase II Transcription","Innate Immune System","Metabolism of lipids",Mitotic
,"Metabolic disorders of biological oxidation enzymes","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Incretin synthesis",secretion,"and inactivation","Leishm
ania infection","Cellular response to hypoxia","Generic Transcription Pathway","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Defective AHCY cause
s Hypermethioninemia with S-adenosylhomocysteine hydrolase deficiency (HMAHCHD)","Potential therapeutics for SARS","GABA receptor activation",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GL
P-1)","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by MECP2","Toll Like Receptor 5 (TLR5) Cascade","
Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","GABA B receptor activation","Anti-inflammatory response favouring Leishmania parasite infectio
n","Regulation of MECP2 expression and activity","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Mitotic Anaphase","Activa
tion of GABAB receptors","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Adenylate cyclase inh
ibitory pathway","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated","Transport of small molecules","Sign
al Transduction","Chromatin organization","SLC-mediated transmembrane transport","Signaling by GPCR","Metabolism of carbohydrates","Chromatin modifying enzymes","Ion channel transport","Transport of v
itamins",nucleosides,"and related molecules","GPCR ligand binding","Glucose metabolism","Phospholipid metabolism","Cytosolic sensors of pathogen-associated DNA","PKMTs methylate histone lysines","Stim
uli-sensing channels","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane","Class A/1 (Rhodopsin-like receptors)",Gluconeogenesis,"PI Metabolism","STING mediated 
induction of host immune responses","Toll Like Receptor 4 (TLR4) Cascade","TRP channels","Nucleotide-like (purinergic) receptors","Synthesis of PIPs at the early endosome membrane","STAT6-mediated ind
uction of chemokines","MyD88-independent TLR4 cascade","Adenosine P1 receptors","TRIF(TICAM1)-mediated TLR4 signaling","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Activation of NMD
A receptors and postsynaptic events","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs","Metabolism of nucleotides","Nucleotide salvage","Purine salvage"}

> <broad_targets>
{ADA}

> <broad_moa>
{antiviral}

> <synonyms>
{Vidarabine,"Adenine arabinoside",Ara-A,AraA,5536-17-4,5536174,Arabinosyladenine,Vira-A,ViraA,Spongoadenosine,Araadenosine,"Arabinosyl adenine",9-beta-D-Arabinofuranosyladenine,9betaDArabinofuranosyla
denine,"Arabinoside adenine","Vidarabine anhydrous",Vidarabin,9-BETA-D-ARABINOFURANOSYL-ADENIN,9BETADARABINOFURANOSYLADENIN,T1506,T0853,SAM002564191,1500609,Prestw-768,Adenosine,CPD000471872,VIDARABIN
E}

> <pdid>
PD002089

> <targets>
{Apoptosis,Autophagy,Endogenous Metabolite,Nucleoside Antimetabolite/Analog,Antibiotic,HSV}

> <classes>
{antiviral,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease,Anti-infection}

> <pubchem_cids>
{21704}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 10  0  0  1  0            999 V2000
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0  1  0  0  0
    2.6000   -1.5000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 S   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3992    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  1 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12451

> <plate>
PLATE 019

> <well>
F11

> <supplier_cmpd_name>
Fudosteine

> <ctcr_id>
11192

> <supplier_cmpd_id>
T1481

> <smiles>
C(=O)([C@@H](N)CSCCCO)O

> <pd_targets>
{FFP}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"mucolytic agent"}

> <synonyms>
{Fudosteine,13189-98-5,13189985,S-(3-Hydroxypropyl)-L-cysteine,S(3Hydroxypropyl)Lcysteine,Cleanal,"L-Cysteine, S-(3-hydroxypropyl)-","LCysteine, S(3hydroxypropyl)",S-(3-Hydroxypropyl)cysteine,S(3Hydro
xypropyl)cysteine,UNII-UR9VPI71PT,UNIIUR9VPI71PT,UR9VPI71PT,NCGC00164556-01,NCGC0016455601,DSSTox_CID_26440,DSSToxCID26440,DSSTox-CID-26440,"DSSTox CID 26440",DSSTox_RID_81616,DSSToxRID81616,DSSTox-RI
D-81616,"DSSTox RID 81616",DSSTox_GSID_46440,DSSToxGSID46440,DSSTox-GSID-46440,"DSSTox GSID 46440",(R)-2-Amino-3-((3-hydrox,(R)2Amino3((3hydrox,T1481}

> <pdid>
PD012184

> <targets>
{"MUC5AC mucin"}

> <classes>
{Others}

> <pubchem_cids>
{134669}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  1  0            999 V2000
    5.1937   -3.0093    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 N   0  0
    5.1887   -6.0105    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  0
 12 13  1  1
 13 14  1  0
 12 15  1  0
 15 16  1  6
 15 17  1  0
 17  8  1  0
 17 18  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12452

> <plate>
PLATE 019

> <well>
G2

> <supplier_cmpd_name>
Streptozocin

> <ctcr_id>
794

> <supplier_cmpd_id>
T1507

> <smiles>
CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O

> <pd_targets>
{LEF,CYP2D6,CYP2C19}

> <pathway_gtopdb>
{Enzyme,Protease,"Cytochrome P450","Metallo protease","Cytochrome P450 family 2","Metallo protease MAE clan","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Metallo protease M34 family","Cyto
chrome P450 2D6","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Disease,Metabolism,"Infectious disease","Biological oxidations","Uptake and actions of bacterial toxins","Phase I - Functionalization of compounds","Uptake and function of anthrax toxins","Cytochrome
 P450 - arranged by substrate type",Xenobiotics,"CYP2E1 reactions"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW73,27771-EP2295416A2,27771EP2295416A2,streptozocin,STREPTOZOTOCIN,streptozosin,Zanosar,18883-66-4,18883664,Estreptozocina,Streptozocine,Streptozocinium,Streptozocinum,alpha-Streptozocin,alphaStr
eptozocin,"streptozotocin (stz)",N-D-Glucosyl-(2)-N'-nitrosomethylurea,NDGlucosyl(2)N'nitrosomethylurea,C8H15N3O7,CHEBI:9288,N-D-G,NDG,T1507,1500543,Prestw-732,Streptozocin,STREPTOZOSIN,Streptozotocin
}

> <pdid>
PD001753

> <targets>
{}

> <classes>
{antineoplastic,"alkylating agent"}

> <pubchem_cids>
{29327}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
   -0.7603   -8.0518    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -2.6933   -6.3162    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -6.2524    0.2436    0.0000 N   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.1100   -3.2797    0.0000 O   0  0
    8.8096   -4.0274    0.0000 C   0  0
    8.8075   -5.5274    0.0000 O   0  0
    7.5114   -3.2743    0.0000 C   0  0
    7.5114   -1.7743    0.0000 C   0  0
    6.2124   -1.0243    0.0000 C   0  0
    4.9133   -1.7743    0.0000 C   0  0
    4.9133   -3.2743    0.0000 C   0  0
    6.2124   -4.0243    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 14  1  0
 12 19  1  0
 19 20  2  0
 20  6  1  0
 20  9  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12453

> <plate>
PLATE 019

> <well>
G3

> <supplier_cmpd_name>
Rizatriptan benzoate

> <ctcr_id>
2902

> <supplier_cmpd_id>
T1512

> <smiles>
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.OC(=O)c4ccccc4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS015855933,AB07521,"Rizatriptan benzoate",145202-66-0,145202660,Maxalt,"Rizatriptan (benzoate)",Maxalt-MLT,MaxaltMLT,"MK 462",MK-462,MK462,MK-0462,MK0462,UNII-WR978S7QHH,UNIIWR978S7QHH,WR978S7QHH,
"Rizatriptan Benzoate (Maxalt)","MK 0462","Rizatriptan-d6 Benzoate","Rizatriptand6 Benzoate","L 705126",L,T1512,SAM001246615,1505189,CPD000525252,"RIZATRIPTAN BENZOATE"}

> <pdid>

> <targets>
{}

> <classes>
{antimigraine,"5HT-1B/1D agonist"}

> <pubchem_cids>
{77997}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 41  0  0  1  0            999 V2000
   13.3213   -7.3575    0.0000 Na  0  3
    4.2010   -3.2956    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0  1  0  0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0  2  0  0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4437   -1.8466    0.0000 C   0  0
    7.3217   -3.0628    0.0000 O   0  0
    7.0583   -0.4784    0.0000 O   0  5
    4.8054   -4.6666    0.0000 C   0  0
    6.2966   -4.8284    0.0000 O   0  0
    3.9195   -5.8781    0.0000 C   0  0
    4.5250   -7.2514    0.0000 P   0  0
    3.0337   -7.0896    0.0000 O   0  0
    3.6391   -8.4629    0.0000 C   0  0
    4.2445   -9.8362    0.0000 C   0  0
    3.3587  -11.0477    0.0000 C   0  0
    3.9641  -12.4210    0.0000 C   0  0
    3.0783  -13.6325    0.0000 C   0  0
    3.6814  -15.0060    0.0000 C   0  0
    2.7936  -16.2150    0.0000 C   0  0
    1.3026  -16.0507    0.0000 C   0  0
    0.6994  -14.6773    0.0000 C   0  0
    1.5872  -13.4683    0.0000 C   0  0
    6.0170   -7.4133    0.0000 O   0  0
    6.6237   -8.7860    0.0000 C   0  0  1  0  0  0
    5.7403   -9.9993    0.0000 C   0  0
    6.3482  -11.3706    0.0000 C   0  0
    4.7459   -9.8935    0.0000 C   0  0
    8.1157   -8.9479    0.0000 O   0  0
    8.7225  -10.3206    0.0000 C   0  0
    7.8371  -11.5314    0.0000 O   0  0
   10.2145  -10.4824    0.0000 C   0  0
   10.8209  -11.8544    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  5  7  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
  3 13  1  1
 13 14  2  0
 13 15  1  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 19 31  1  0
 32 31  1  6
 32 33  1  0
 33 34  1  0
 33 35  1  0
 32 36  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
M  CHG  2   1   1  15  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12454

> <plate>
PLATE 019

> <well>
G4

> <supplier_cmpd_name>
Fosinopril sodium

> <ctcr_id>
11193

> <supplier_cmpd_id>
T1489

> <smiles>
[Na+].N1([C@@H](C[C@H](C1)C1CCCCC1)C(=O)[O-])C(=O)CP(=O)(CCCCc1ccccc1)O[C@@H](C(C)C)OC(=O)CC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"FOSINOPRIL SODIUM",88889-14-9,88889149,"Monopril (TN)","Fosinopril sodium (USP)","Fosinopril sodium (Monopril)",s2095,CCG-270149,CCG270149,"Fosinopril sodium, >=98 (HPLC), powder",D00622,"Fosinopril
 sodium","European Pharmacopoeia (EP) Reference Standard",T1489}

> <pdid>

> <targets>
{ACE}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{23667962}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  1  0            999 V2000
    3.7332   -0.7121    0.0000 O   0  5
    3.1255   -2.0835    0.0000 N   0  3
    4.0097   -3.2952    0.0000 O   0  0
    1.6332   -2.2426    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 C   0  0  2  0  0  0
   -2.7115    0.3949    0.0000 C   0  0  1  0  0  0
   -3.1750   -1.0317    0.0000 C   0  0
   -1.9615   -1.9133    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
   -3.5891    1.6093    0.0000 O   0  0
   -2.9760    2.9792    0.0000 N   0  3
   -1.4838    3.1326    0.0000 O   0  5
   -3.8545    4.1950    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 12 11  1  1
 12  5  1  0
 12  8  1  0
  9 13  1  1
 13 14  1  0
 14 15  1  0
 14 16  2  0
M  CHG  4   1  -1   2   1  14   1  15  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12455

> <plate>
PLATE 019

> <well>
G5

> <supplier_cmpd_name>
Isosorbide dinitrate

> <ctcr_id>
2292

> <supplier_cmpd_id>
T1479

> <smiles>
[O-][N+](=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O

> <pd_targets>
{AMPC,GUCY1A1,GUCY1A2,GUCY1B1,GUCY1B2,NPR1}

> <pathway_gtopdb>
{Enzyme,Hydrolase,Lyase,"Guanylate cyclase","Soluble guanylate cyclase","Receptor guanylate cyclase"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor guanylyl cyclase (RGC) family","Transmembrane guanylyl cyclases"}

> <pathway_reactome>
{"Muscle contraction","Cardiac conduction","Physiological factors"}

> <broad_targets>
{GUCY1A2,GUCY1A3,GUCY1B2,GUCY1B3,NPR1}

> <broad_moa>
{"nitric oxide stimulant"}

> <synonyms>
{"ISOSORBIDE DINITRATE",87-33-2,87332,"Sorbide nitrate",Isordil,Nitrosorbide,Sorbidnitrate,Dinitrosorbide,Sorbitrate,Isoket,Sorbidilat,Vascardin,Carvasin,Flindix,Isorbid,Isotrate,Sorbonit,Cardis,Dilat
rate-SR,DilatrateSR,Carvanil,Cedocard,Claodical,Cor,T1479,1500358,Prestw-714,"Isosorbide dinitrate"}

> <pdid>
PD001923

> <targets>
{NO Synthase}

> <classes>
{antianginal,Immunology/Inflammation}

> <pubchem_cids>
{6883}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 26  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2570    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6071    5.9984    0.0000 C   0  0
    2.6039    2.9994    0.0000 C   0  0
    3.9032    3.7490    0.0000 C   0  0
    2.6003    1.4978    0.0000 N   0  0
    3.8990    0.7455    0.0000 C   0  0
    5.1996    1.4928    0.0000 O   0  0
    3.8964   -0.7545    0.0000 C   0  0
    2.5981   -1.5000    0.0000 N   0  0
    9.0003    0.3705    0.0000 P   0  0
    7.7010   -0.3791    0.0000 O   0  0
   10.2996   -0.3791    0.0000 O   0  0
    9.0003    1.8705    0.0000 O   0  0
    9.0003   -1.1295    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
  3 12  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
  2 18  1  6
 18 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  1
 23 24  2  0
 23 25  1  0
 23 26  1  0
 23 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12456

> <plate>
PLATE 019

> <well>
G6

> <supplier_cmpd_name>
Oseltamivir phosphate

> <ctcr_id>
11194

> <supplier_cmpd_id>
T1486

> <smiles>
[C@H]1([C@H]([C@@H](C=C(C1)C(=O)OCC)OC(CC)CC)NC(=O)C)N.P(=O)(O)(O)O

> <pd_targets>
{NA,NANH,NEU1,NEU2}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Metabolism of proteins","Infectious disease","Post-translational protein modification","Influenza Infection","Asparagine N-linked glycosylation","Virus Assembly and Release","Biosynthesis of
 the N-glycan precursor (dolichol lipid-linked oligosaccharide","LLO) and transfer to a nascent protein","Assembly of Viral Components at the Budding Site","Synthesis of substrates in N-glycan biosyth
esis","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","Sialic acid metabolism"}

> <broad_targets>
{CES1,NEU1,NEU2}

> <broad_moa>
{"neuraminidase inhibitor"}

> <synonyms>
{"Oseltamivir phosphate",204255-11-8,204255118,Tamiflu,"Oseltamivir (phosphate)",UNII-4A3O49NGEZ,UNII4A3O49NGEZ,"Ro 64-0796/002","Ro 640796/002","GS 4104",4A3O49NGEZ,CHEBI:7799,"204255-11-8 (phosphate
)","204255118 (phosphate)","Osteltamivir phosphate","Oseltamivir phosphate, 98",C16H28N2O4.H3PO4,T1486}

> <pdid>
PD010174

> <targets>
{"Influenza A and B"}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{78000}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 32  0  0  0  0            999 V2000
   13.3177   -4.0541    0.0000 Na  0  3
   -0.2237   -5.5078    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0613   -7.0156    0.0000 O   0  0
    6.3098   -5.7131    0.0000 C   0  0
    7.0629   -7.0113    0.0000 C   0  0
    6.3152   -8.3116    0.0000 O   0  0
    8.5638   -7.0091    0.0000 C   0  0
    9.3169   -8.3073    0.0000 C   0  0
   10.8169   -8.3051    0.0000 O   0  0
    8.5692   -9.6077    0.0000 O   0  5
    2.4133   -1.7530    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.9619   -2.4739    0.0000 C   0  0
    6.4015   -2.0524    0.0000 C   0  0
    6.7561   -0.5949    0.0000 C   0  0
    8.1957   -0.1733    0.0000 F   0  0
    5.6713    0.4410    0.0000 C   0  0
    4.2318    0.0194    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  6 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 18 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31  5  1  0
 31 26  1  0
M  CHG  2   1   1  17  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12457

> <plate>
PLATE 019

> <well>
G7

> <supplier_cmpd_name>
Fluvastatin sodium salt

> <ctcr_id>
6333

> <supplier_cmpd_id>
T1487

> <smiles>
[Na+].CC(C)n1c(C=CC(O)CC(O)CC(=O)[O-])c(c2ccc(F)cc2)c3ccccc13

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"FLUVASTATIN SODIUM",93957-55-2,93957552,"(+)-(3R,5S)-XU 62-320 (free acid)","(+)(3R,5S)XU 62320 (free acid)","Fluvastatin sodium salt",94061-81-1,94061811,155229-75-7,155229757,HMS3369M12,HMS3655I22
,AK113368,DB-016443,DB016443,FT-0630984,FT0630984,FT-0668772,FT0668772,FT-0668773,FT0668773,A844750,S1909,"Fluvastatin Sodium"}

> <pdid>

> <targets>
{"HMG-CoA Reductase"}

> <classes>
{Metabolism}

> <pubchem_cids>
{24906289}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 61 66  0  0  1  0            999 V2000
   -8.1414    8.6588    0.0000 C   0  0
   -6.8598    7.8793    0.0000 C   0  0
   -6.8932    6.3788    0.0000 C   0  0
   -8.2088    5.6583    0.0000 C   0  0
   -5.6100    5.6000    0.0000 N   0  0
   -5.6100    3.9400    0.0000 C   0  0
   -4.4200    3.1800    0.0000 C   0  0
   -3.2300    3.9400    0.0000 C   0  0
   -3.2300    5.6000    0.0000 C   0  0
   -4.4200    6.3700    0.0000 C   0  0
   -3.2300    2.4100    0.0000 N   0  0
   -2.0400    1.6400    0.0000 C   0  0
   -2.0400    0.0000    0.0000 C   0  0
   -3.2300   -0.7700    0.0000 N   0  0
   -3.2300   -2.2000    0.0000 C   0  0
   -1.9103   -2.9129    0.0000 O   0  0
   -4.4200   -2.9800    0.0000 C   0  0
   -4.4200   -4.9700    0.0000 C   0  0
   -5.6100   -5.8400    0.0000 C   0  0
   -2.0400   -4.9700    0.0000 C   0  0
   -0.8500   -5.8400    0.0000 C   0  0  2  0  0  0
   -0.8470   -7.3400    0.0000 C   0  0
    0.3300   -4.9700    0.0000 C   0  0  2  0  0  0
    0.3270   -3.4700    0.0000 O   0  0
    1.5200   -5.8400    0.0000 C   0  0  1  0  0  0
    1.4216   -7.3368    0.0000 C   0  0
    2.7100   -5.1900    0.0000 C   0  0  1  0  0  0
    4.0001   -5.9553    0.0000 O   0  0
    2.7100   -3.2000    0.0000 C   0  0  1  0  0  0
    1.3688   -2.5283    0.0000 C   0  0
    3.9000   -2.3100    0.0000 C   0  0  2  0  0  0
    5.2343   -3.0003    0.0000 O   0  0
    5.3042   -4.4995    0.0000 C   0  0
    4.0412   -5.3088    0.0000 C   0  0
    6.6363   -5.1890    0.0000 O   0  0
    3.9000   -0.7700    0.0000 C   0  0  2  0  0  0
    2.5824   -0.0532    0.0000 C   0  0
    5.0900    0.0000    0.0000 C   0  0  1  0  0  0
    6.3760   -0.7744    0.0000 O   0  0
    6.3479   -2.2742    0.0000 C   0  0
    5.0900    1.6400    0.0000 C   0  0
    6.2800    2.4100    0.0000 C   0  0
    6.2800    3.9400    0.0000 O   0  0
    3.9000    3.9400    0.0000 C   0  0  1  0  0  0
    4.9607    2.8793    0.0000 C   0  0
    3.9000    2.4100    0.0000 O   0  0
    2.7100    1.6400    0.0000 C   0  0
    2.7100    0.0000    0.0000 C   0  0
    4.0276   -0.7168    0.0000 C   0  0
    1.5200   -0.7700    0.0000 C   0  0
    1.5200   -2.2700    0.0000 O   0  0
    0.3300    0.0000    0.0000 C   0  0
   -0.8500   -0.7700    0.0000 C   0  0
   -0.8471   -2.2700    0.0000 O   0  0
    0.3300    1.6400    0.0000 C   0  0
   -0.8500    2.4100    0.0000 C   0  0
   -0.8500    3.9400    0.0000 N   0  0
    1.5200    2.4100    0.0000 C   0  0
    1.5200    3.9400    0.0000 C   0  0
    0.4593    5.0007    0.0000 O   0  0
   -5.7397   -2.2671    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  6
 27 29  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  1
 32 33  1  0
 33 34  1  0
 33 35  2  0
 31 36  1  0
 36 37  1  6
 36 38  1  0
 38 39  1  6
 39 40  1  0
 38 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  1  0
 44 45  1  6
 44 46  1  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 48 50  1  0
 50 51  1  0
 50 52  2  0
 52 53  1  0
 53 13  1  0
 53 54  2  0
 52 55  1  0
 55 56  1  0
 56 12  1  0
 56 57  2  3
 57  8  1  0
 55 58  2  0
 58 47  1  0
 58 59  1  0
 59 44  1  0
 59 60  2  0
 17 61  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12458

> <plate>
PLATE 019

> <well>
G8

> <supplier_cmpd_name>
Rifabutin

> <ctcr_id>
5092

> <supplier_cmpd_id>
T1501

> <smiles>
CCC(C)N1CCC2(CC1)NC3=C4NC(=O)C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]5(C)Oc6c(C)c(O)c(C4=O)c(C3=N2)c6C5=O)/C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Prestw-1109,Rifabutin}

> <pdid>
PD006373

> <targets>
{Antibiotic,Bacterial}

> <classes>
{Anti-infection}

> <pubchem_cids>
{23874514}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 51 53  0  0  0  0            999 V2000
    2.5995    3.0017    0.0000 C   0  0
    2.5974    1.5017    0.0000 C   0  0
    1.2995    2.2537    0.0000 C   0  0
    1.2970    0.7539    0.0000 C   0  0
    3.8956    0.7486    0.0000 C   0  0
    3.8951   -0.7523    0.0000 C   0  0
    5.1942   -1.5023    0.0000 O   0  0
    2.5956   -1.5031    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2934   -3.7508    0.0000 C   0  0
   -0.0049   -2.9977    0.0000 C   0  0
   -1.3070   -3.7424    0.0000 C   0  0
   -2.6029   -2.9870    0.0000 C   0  0
   -2.5967   -1.4870    0.0000 C   0  0
   -1.2946   -0.7424    0.0000 C   0  0
    0.0013   -1.4977    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2611    0.0000 C   0  0
    3.8826   -9.7611    0.0000 C   0  0
    2.5814  -10.5075    0.0000 C   0  0
    1.2845   -9.7538    0.0000 C   0  0
    1.2888   -8.2538    0.0000 C   0  0
    2.5899   -7.5075    0.0000 C   0  0
   -0.0173  -10.5005    0.0000 C   0  0
   -0.0240  -12.0005    0.0000 C   0  0
   -1.3263  -12.7448    0.0000 C   0  0
   -2.6220  -11.9891    0.0000 C   0  0
   -2.6154  -10.4891    0.0000 C   0  0
   -1.3131   -9.7448    0.0000 N   0  0
    6.4920   -5.2654    0.0000 N   0  0
    7.7894   -6.0199    0.0000 C   0  0
    7.7842   -7.5199    0.0000 O   0  0
    9.0920   -5.2745    0.0000 C   0  0
    9.1003   -3.7737    0.0000 C   0  0
   10.4030   -3.0300    0.0000 C   0  0
    9.1079   -2.2737    0.0000 C   0  0
    7.8052   -3.0169    0.0000 C   0  0
   10.3893   -6.0290    0.0000 N   0  0
   11.6919   -5.2835    0.0000 C   0  0
   11.6972   -3.7835    0.0000 O   0  0
   12.9893   -6.0380    0.0000 O   0  0
   14.2912   -5.2930    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    5.1951    1.4994    0.0000 N   0  0
    5.1956    3.0002    0.0000 C   0  0
    3.8965    3.7502    0.0000 O   0  0
    6.4951    3.7510    0.0000 O   0  0
    6.4956    5.2510    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 11  1  0
  9 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  2  3
 26 21  1  0
 24 27  1  0
 27 28  2  3
 28 29  1  0
 29 30  2  3
 30 31  1  0
 31 32  2  3
 32 27  1  0
 19 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 36 41  1  0
 41 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 17 46  1  0
  5 47  1  0
 47 48  1  0
 48 49  2  0
 48 50  1  0
 50 51  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12459

> <plate>
PLATE 019

> <well>
G9

> <supplier_cmpd_name>
Atazanavir

> <ctcr_id>
5852

> <supplier_cmpd_id>
T0100L

> <smiles>
CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC

> <pd_targets>
{PROTEASE,"HIV-1 PROTEASE",UGT1A1,POL,SLCO2B1,SLCO1B3,SLCO1B1,ABCB1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,Protease,Transferase,Hydrolase,"Electrochemical transporter","Primary active transporter","Cysteine protease","Aspartic protease","SLC superfamily of solute 
carriers","ATP-binding cassette","Cysteine protease PAC clan","Aspartic protease AA clan","SLC21/SLCO family of organic anion transporting polypeptides","ABCB subfamily","Cysteine protease C3A subfami
ly","Aspartic protease A2A subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"UDP glucuronosyltransferases (UGT)","SLC superfamily of solute carriers","ATP-binding cassette transporter family","SLCO family of organic anion transporting polypeptides","ABCB
 subfamily"}

> <pathway_reactome>
{Disease,"Transport of small molecules",Metabolism,"Diseases of metabolism","SLC-mediated transmembrane transport","Metabolism of lipids","Abacavir transport and metabolism","Metabolic disorders of bi
ological oxidation enzymes","Transport of vitamins",nucleosides,"and related molecules","Metabolism of steroids","Abacavir transmembrane transport","Defective UGT1A1 causes hyperbilirubinemia","Transp
ort of organic anions","Bile acid and bile salt metabolism","Recycling of bile acids and salts"}

> <broad_targets>
{}

> <broad_moa>
{"HIV protease inhibitor"}

> <synonyms>
{"EUTERATED ATAZANIVIRD3",Atazanavir-d6,Atazanavird6,"198904-31-3 (free base)","198904313 (free base)",Atazanavir-(d5),Atazanavir(d5),Atazanavir-(d9),Atazanavir(d9),1332981-14-2,1332981142,Atazanavir-
(d18),Atazanavir(d18),"Atazanavir Impurity 1",SCHEMBL1396072,"Atazanavir R,S,S,S-diastereomer","Atazanavir R,S,S,Sdiastereomer","Atazanavir S,S,S,R-diastereomer","Atazanavir S,S,S,Rdiastereomer","Ataz
anavir R",S,T0100L,S3011,Atazanavir,"Deuterated Atazanivir-D3-3"}

> <pdid>
PD009825

> <targets>
{"HIV Protease"}

> <classes>
{}

> <pubchem_cids>
{21696352}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0  1  0  0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 C   0  0  2  0  0  0
   -4.8190    4.6599    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0  1  0  0  0
   -6.4447    1.8344    0.0000 C   0  0
   -7.3266    3.0478    0.0000 O   0  0
   -3.9492    0.8772    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12460

> <plate>
PLATE 019

> <well>
G10

> <supplier_cmpd_name>
Decitabine

> <ctcr_id>
7375

> <supplier_cmpd_id>
T1508

> <smiles>
NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2

> <pd_targets>
{DNMT1,DNMT3A,DNMT3B}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,Reader,"DNA methyltransferase","Methyl-lysine/arginine binding protein","PWWP domain"}

> <pathway_chembl>
{Enzymes,"2.1.1.- Methyltransferases"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of DNA methylation proteins"}

> <broad_targets>
{DNMT1,DNMT3A}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{Decitabine,5-Aza-2'-deoxycytidine,5Aza2'deoxycytidine,2353-33-5,2353335,Dacogen,5-Azadeoxycytidine,5Azadeoxycytidine,2'-Deoxy-5-azacytidine,2'Deoxy5azacytidine,AzadC,5-aza-CdR,5azaCdR,5-aza-dC,5azadC
,Dezocitidine,"NSC 127716",Dac,5-aza-2-deoxycytidine,5aza2deoxycytidine,UNII-776B62CQ27,UNII776B62CQ27,5A2dc,NSC-127716,NSC127716,4-Amino-1-(2-deoxy-beta-D-erythro-pentofurano,4Amino1(2deoxybetaDeryth
ropentofurano,T1508,S1200,decitabine}

> <pdid>
PD003319

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{}

> <pubchem_cids>
{451668}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    3.8805   -1.4410    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -1.3786    3.8595    0.0000 C   0  0
   -1.8372    5.2877    0.0000 C   0  0
   -3.3372    5.2929    0.0000 N   0  0
   -3.8056    3.8679    0.0000 C   0  0
   -5.2311    3.4009    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.5701   -4.1788    0.0000 C   0  0
    0.0400   -5.5491    0.0000 C   0  0
    1.5318   -5.7059    0.0000 C   0  0
    2.4135   -4.4923    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
 12 13  1  0
  6 14  1  0
 14 15  2  0
 14 16  1  0
 16  3  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  2  1  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12461

> <plate>
PLATE 019

> <well>
G11

> <supplier_cmpd_name>
Ondansetron hydrochloride

> <ctcr_id>
7076

> <supplier_cmpd_id>
T1478

> <smiles>
Cn1c2CCC(Cn3ccnc3C)C(=O)c2c4ccccc14

> <pd_targets>
{HTR3A,HTR3B,HTR2C,HTR4,CCKBR,KCNH2,HTR3C,HTR3D,HTR3E,OPRM1,CHRNA7,HTR1D,HTR2A,HTR2B,CHRM1,SIGMAR1,CHRNA4,CHRNB2,CYP3A4,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG
1,GABRG2,GABRG3,GABRP,GABRQ,HTR1B,CHRNA3,CHRNB4,SLC47A2,SLC22A1,SLC22A2,SLC47A1,SLC22A3,HTR1A}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor",Enzyme,Transporter,"Ligand-gated ion channel","Family A G protein-coupled receptor","Voltage-gated ion channel","Cytochrome P450","Electrochemical transporter","5HT3
 receptor","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Potassium channels","Nicotinic acetylcholine receptor","Cytochrome P450 family 3","GABA-A receptor","SLC superf
amily of solute carriers","Monoamine receptor","Short peptide receptor (family A GPCR)","Voltage-gated potassium channel","Nicotinic acetylcholine receptor alpha subunit","Cytochrome P450 family 3A","
SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Serotonin receptor","Cholecystokinin receptor","Opioid receptor","Acetylcholine rec
eptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{"Ion channels",Receptors,"Other protein targets",Enzymes,Transporters,"Ligand-gated ion channels","G protein-coupled receptors","Voltage-gated ion channels","Sigma receptors","Cytochrome P450","SLC s
uperfamily of solute carriers","5-HT<sub>3</sub> receptors","5-Hydroxytryptamine receptors","Cholecystokinin receptors","Potassium channels","Opioid receptors","Nicotinic acetylcholine receptors","Ace
tylcholine receptors (muscarinic)","CYP3 family","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Voltage-gated potassium channels"
,"Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Neuronal System","Signal Transduction",Disease,"Muscle contraction",Metabolism,"Transport of small molecules","Transmission across Chemical Synapses","Signaling by GPCR","Infectious disease","Cardia
c conduction","Metabolism of lipids","SLC-mediated transmembrane transport","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","Leishmania infection","GPCR downstr
eam signalling","Phase 3 - rapid repolarisation","SARS-CoV Infections","Biosynthesis of specialized proresolving mediators (SPMs)","Transport of bile salts and organic acids","metal ions and amine com
pounds","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","G alpha (q) signalling events","G alpha (i) signalling events","Acetylcholine binding and downstream events","
Potential therapeutics for SARS","Biosynthesis of DHA-derived SPMs","Organic cation/anion/zwitterion transport","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasi
te infection","Gastrin-CREB signalling pathway via PKC and MAPK","Opioid Signalling","Postsynaptic nicotinic acetylcholine receptors","Biosynthesis of maresins","Organic cation transport","Serotonin r
eceptors","ADORA2B mediated anti-inflammatory cytokines production","G-protein activation","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Muscarinic acetylcholine receptors
","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{HTR3A,HTR3B}

> <broad_moa>
{"serotonin receptor antagonist"}

> <synonyms>
{ondansetron,99614-02-5,99614025,Zofran,Zudan,Zophren,Zuplenz,"9-methyl-3-((2-methylimidazol-1-yl)methyl)-2,3-dihydro-1H-carbazol-4-one","9methyl3((2methylimidazol1yl)methyl)2,3dihydro1Hcarbazol4one",
116002-70-1,116002701,"GR 38032X","GR 38032",CHEBI:7773,99614-01-4,99614014,NCGC00179341-02,NCGC0017934102,DSSTox_CID_3393,DSSToxCID3393,DSSTox-CID-3393,"DSSTox CID 3393",DSSTox_RID_77011,DSSToxRID770
11,DSSTox-RID-77011,"DSSTox RID 77011",DSSTox_GS,DSSToxGS,DSSTox-GS,"DSSTox GS",T1478,SAM002589958,"Ondansetron hydrochloride",CPD001307702}

> <pdid>
PD002938

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4595}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
   -0.0149   -7.4903    0.0000 C   0  0
    1.2805   -8.2466    0.0000 O   0  0
    2.5844   -7.5034    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5895   -6.0034    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 S   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 22 23  2  0
 23 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12462

> <plate>
PLATE 019

> <well>
H2

> <supplier_cmpd_name>
Liranaftate

> <ctcr_id>
3045

> <supplier_cmpd_id>
T1497

> <smiles>
COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2

> <pd_targets>
{LMNA,RORC,ERG1}

> <pathway_gtopdb>
{"Other nuclear protein","Transcription factor",Enzyme,"Nuclear receptor",Oxidoreductase,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor
 subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","M Phase","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX
3","Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"fungal squalene epoxidase inhibitor"}

> <synonyms>
{Liranaftate,88678-31-3,88678313,Piritetrate,M-732,M732,UNII-5253IGO5X3,UNII5253IGO5X3,Piritetrate;M-732,Piritetrate;M732,5253IGO5X3,NCGC00164601-01,NCGC0016460101,Liranaftato,Liranaftatum,DSSTox_CID_
26470,DSSToxCID26470,DSSTox-CID-26470,"DSSTox CID 26470",DSSTox_RID_81642,DSSToxRID81642,DSSTox-RID-81642,"DSSTox RID 81642",DSSTox_GSID_46470,DSSToxGSID46470,DSSTox-GSID-46470,"DSSTox GSID 46470","Li
ranaftate (INN)",C18H20N2O2S,"Liranaftatum (INN-Latin)","Liranaftatum (INNLatin)",Lira,T1497,Prestw-1140}

> <pdid>
PD012188

> <targets>
{Fungal}

> <classes>
{Anti-infection}

> <pubchem_cids>
{3936}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
   10.9237    0.4742    0.0000 H   0  3
    8.4237    0.4742    0.0000 Cl  0  5
    5.9232   -5.0458    0.0000 C   0  0
    5.0802   -3.8051    0.0000 N   0  0
    5.8323   -2.5073    0.0000 C   0  0
    5.2865   -1.1101    0.0000 C   0  0
    3.8538   -0.6657    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.4987   -3.0043    0.0000 C   0  0
    3.5966   -4.0263    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0
    5.2088    5.9860    0.0000 Cl  0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  4  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 13 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
 28 11  1  0
 28 29  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12463

> <plate>
PLATE 019

> <well>
H3

> <supplier_cmpd_name>
Azelastine hydrochloride

> <ctcr_id>
6774

> <supplier_cmpd_id>
T0211L

> <smiles>
[H+].[Cl-].CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O

> <pd_targets>
{LMNA,CYP3A4,CYP2D6,ADRA1B,ADRA1A,KCNH2,HRH1,CACNA1C,HRH3,HTR2B,ABCB1,CHRM1,HTR2C,HRH2,PLA2G1B,LTC4S}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Membrane receptor","Ion channel",Transporter,"Cytochrome P450","Family A G protein-coupled receptor","Voltage-gated ion channel","Primary active transporter",Hydrolase
,Lyase,"Cytochrome P450 family 3","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Potassium channels","Voltage-gated calcium channel","ATP-binding cassette","Cytochrome P450 fami
ly 3A","Cytochrome P450 family 2D","Monoamine receptor","Voltage-gated potassium channel","ABCB subfamily","Cytochrome P450 3A4","Cytochrome P450 2D6","Adrenergic receptor","Histamine receptor","Serot
onin receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels",Transporters,"Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","ATP-binding cassette transporter family","Glycerophospholipid turnover","Ei
cosanoid turnover","CYP3 family","CYP2 family: drug metabolising subset",Adrenoceptors,"Potassium channels","Histamine receptors","Voltage-gated calcium channels","5-Hydroxytryptamine receptors","ABCB
 subfamily","Acetylcholine receptors (muscarinic)","Phospholipase A<sub>2</sub>","Leukotriene and lipoxin metabolism","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Signal Transduction","Muscle contraction","Developmental Biology",Disease,Mitotic,"Metabolism of lipids","Biological oxidations","Signaling by GPCR","Cardiac conduction","Ner
vous system development","Abacavir transport and metabolism","Infectious disease","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","GPCR
 ligand binding","Phase 3 - rapid repolarisation","Axon guidance","Abacavir transmembrane transport","Leishmania infection","Phospholipid metabolism","Mitotic Metaphase and Anaphase","Biosynthesis of 
DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","NCAM signaling for neurite out-growth","Leishmania parasite growth and survival","Glycerophosph
olipid biosynthesis","Mitotic Anaphase","Biosynthesis of maresins",Xenobiotics,"Amine ligand-binding receptors","NCAM1 interactions","Anti-inflammatory response favouring Leishmania parasite infection
","Acyl chain remodelling of PC","Biosynthesis of DHA-derived sulfido conjugates","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","CYP2E1 reactions",Adrenoceptors,"Histamine rec
eptors","Serotonin receptors","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin conjugates in tissue regeneration (MCTR)","Initiat
ion of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{"AZELASTINE HYDROCHLORIDE","AZELASTINE HCl",79307-93-0,79307930,Astelin,Optivar,Allergodil,Rhinolast,Azeptin,"Azelastine (hydrochloride)",Astepro,Optilast,W-2979M,W2979M,A-5610,A5610,E-0659,E0659,379
32-96-0,37932960,CHEBI:2951,MFCD00242783,NCGC00095173-01,NCGC0009517301,DSSTox_CID_25945,DSSToxCID25945,DSSTox-CID-25945,"DSSTox CID 25945",DSSTox_RID_81,DSSToxRID81,DSSTox-RID-81,"DSSTox RID 81",T021
1L,S2552,SAM001246645,1505340,Prestw-1130,"Azelastine hydrochloride","Azelastine HCl",CPD000469183}

> <pdid>
PD009611

> <targets>
{Histamine Receptor,SARS-CoV}

> <classes>
{H1 antihistamine (nonsedating),leucotriene synthesis blocker,Neuronal Signaling,Anti-infection,GPCR/G Protein,Immunology/Inflammation}

> <pubchem_cids>
{54360,50986914}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
    1.2211    6.8711    0.0000 C   0  0
   -0.2851    7.4666    0.0000 C   0  0
    0.7318    8.5693    0.0000 O   0  0
   -1.7759    7.6329    0.0000 C   0  0
   -2.3947    6.2665    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15  9  1  0
 15 16  1  0
 16  6  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19  5  2  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12464

> <plate>
PLATE 019

> <well>
H4

> <supplier_cmpd_name>
2-Methoxyestradiol

> <ctcr_id>
5779

> <supplier_cmpd_id>
T2220

> <smiles>
COc1cc2C3CCC4(C)C(O)CCC4C3CCc2cc1O

> <pd_targets>
{TUBB2B,LMNA,SHBG,KMT2A,MEN1,GMNN,TUBA1A,GAA,MAPT,AMPC,NFO,PMP22,BLM,CYP1B1,CYP1A1,MTOR,LEF,CYP3A4,CYP1A2}

> <pathway_gtopdb>
{"Structural protein","Other nuclear protein","Secreted protein","Epigenetic regulator","Unclassified protein",Enzyme,"Other cytosolic protein",Reader,Hydrolase,"Cytochrome P450",Kinase,Bromodomain,"C
ytochrome P450 family 1","Protein Kinase","Cytochrome P450 family 1B","Cytochrome P450 family 1A","Atypical protein kinase group","Cytochrome P450 1B1","Cytochrome P450 1A1","Atypical protein kinase P
IKK family","Atypical protein kinase FRAP subfamily",Protease,"Metallo protease","Cytochrome P450 family 3","Metallo protease MAE clan","Cytochrome P450 family 3A","Metallo protease M34 family","Cytoc
hrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"3.2.1.- Glycosidases","Cytochrome P450","Kinases (EC 2.7.x.x)","CYP1 family",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily","CYP3 family"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Neuronal System","Developmental Biology","DNA Repair",Metabolism,"Gene expression (Transcription)",Mitotic,"Diseases of metabolism","Transmission across Chemical Synapses","Nerv
ous system development","DNA Double-Strand Break Repair","Biological oxidations","RNA Polymerase II Transcription","M Phase","Mitotic G1 phase and G1/S transition","Diseases of carbohydrate metabolism
","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Phase I - Functionalization of compound
s","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","G1/S Transition","Glycogen storage diseases","Activation of NMDA receptors and postsynaptic events","HDR through Homologous Recombi
nation (HRR) or Single Strand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by TP53","Mitotic Anaphase","Activation of the pre-replicative complex","Glyco
gen storage disease type II (GAA)","Post NMDA receptor activation events","HDR through Homologous Recombination (HRR)","Endogenous sterols",Xenobiotics,"Regulation of TP53 Activity","Nuclear Envelope 
(NE) Reassembly","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","Sealing of the nuclear envelope (NE) by ESCRT-I
II","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Infectious disease","Metabolism of lipids","Up
take and actions of bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins",
"Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{COMT,CYP19A1,CYP1A1,CYP1B1,HIF1A,TUBB}

> <broad_moa>
{"hypoxia inducible factor inhibitor"}

> <synonyms>
{2-ME2;NSC-659853,2ME2;NSC659853,2-Methoxy-.beta.-estradiol,2Methoxy.beta.estradiol,NSC659853,2-methoxy-17-estradiol,2methoxy17estradiol,Neuro_000385,Neuro000385,Neuro-000385,"Neuro 000385",CHEMBL2357
6,"2-Methoxyestradiol-(13C,d3)","2Methoxyestradiol(13C,d3)",SCHEMBL13123068,CHEBI:110165,HMS3268G22,1217470-09-1,1217470091,AKOS015967320,FT-0612836,FT0612836,2-Methoxyestra-1(10),2Methoxyestra1(10),2
,4-triene-3,4triene3,17-d,17d,T2220,S1233,2-Methoxyestradiol,"2-Methoxyestradiol (2-MeOE2)"}

> <pdid>
PD008759

> <targets>
{HIF}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{1573}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  1  0            999 V2000
    1.4157   -5.0351    0.0000 C   0  0
    1.8059   -3.5867    0.0000 C   0  0  1  0  0  0
    3.2554   -3.2009    0.0000 O   0  0
    0.7500   -2.5287    0.0000 C   0  0  2  0  0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -0.7500   -2.5287    0.0000 C   0  0
   -1.8107   -3.5893    0.0000 O   0  0
   -2.6375    0.8602    0.0000 C   0  0
   -3.7540   -0.1415    0.0000 O   0  0
   -2.9472    2.3279    0.0000 O   0  0
    0.0031    2.7742    0.0000 S   0  0
    1.3039    3.5228    0.0000 C   0  0
    1.3070    5.0236    0.0000 C   0  0
    2.6079    5.7721    0.0000 N   0  0
    2.6110    7.2730    0.0000 C   0  0
    3.9111    8.0211    0.0000 N   0  0
  2  1  1  6
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9  5  1  0
  9 10  1  0
  4 10  1  1
 10 11  2  0
  8 12  1  0
 12 13  1  0
 12 14  2  0
  7 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12465

> <plate>
PLATE 019

> <well>
H5

> <supplier_cmpd_name>
Imipenem

> <ctcr_id>
4095

> <supplier_cmpd_id>
T1505

> <smiles>
C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(O)=O)SCCNC=N

> <pd_targets>
{BLAGES-13,BLAPER-2,MRDA,MRCB,MRCA,PBPC,DACA,DACB,DACC,FTSI}

> <pathway_gtopdb>
{Enzyme,Hydrolase,Protease,"Serine protease","Serine protease unclassified","Serine protease SE clan","Serine protease S11 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{RESTW51,imipenem,64221-86-9,64221869,Imipemide,N-Formimidoylthienamycin,NFormimidoylthienamycin,Tienamycin,"Imipenem anhydrous",Imipenemum,"N-formimidoyl thienamycin","Nformimidoyl thienamycin",imipe
n,"MK 0787",CHEBI:471744,74431-23-5,74431235,"Imipenem, N-Formimidoyl thienamycin","Imipenem, NFormimidoyl thienamycin",UNII-Q20IM7HE75,UNIIQ20IM7HE75,"Imipenem (INN)",Primax,T1505,Prestw-519,Imipenem
}

> <pdid>
PD009459

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{40473166,104838}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2112    5.9836    0.0000 N   0  0
   -6.5072    5.2269    0.0000 C   0  0
   -6.4994    3.7269    0.0000 O   0  0
   -7.8111    5.9701    0.0000 N   0  0
   -9.1072    5.2134    0.0000 C   0  0
  -10.4114    5.9543    0.0000 C   0  0
  -11.7053    5.1953    0.0000 C   0  0
  -11.6949    3.6953    0.0000 C   0  0
  -12.9887    2.9364    0.0000 Cl  0  0
  -10.3907    2.9543    0.0000 C   0  0
   -9.0969    3.7133    0.0000 C   0  0
  -10.3803    1.4536    0.0000 C   0  0
  -11.6736    0.6938    0.0000 F   0  0
   -9.0759    0.7130    0.0000 F   0  0
  -10.3692   -0.0464    0.0000 F   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 12 28  1  0
 28 29  2  0
 29  9  1  0
  7 30  2  0
 30 31  1  0
 31 32  2  0
 32  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12466

> <plate>
PLATE 019

> <well>
H6

> <supplier_cmpd_name>
Sorafenib

> <ctcr_id>
6031

> <supplier_cmpd_id>
T0093L

> <smiles>
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1

> <pd_targets>
{EPHA6,RAF1,MKNK2,EPHA5,FLT4,FLT3,MAPK12,HTR7,BRAF,CSF1R,CDK17,CDK14,AURKA,AXL,CAMK2B,RET,FGR,MAP2K5,ARAF,KDR,CDK8,KIT,MAPK14,FRK,EPHA8,ABL2,EPHA4,SLK,FGFR1,RIPK2,NTRK1,STK36,LCK,MAPK13,STK33,TNNI3K,D
DR2,LYN,AURKC,TAOK3,PDGFRB,MYLK3,ABL1,STK10,CLK1,TTK,MAPK15,CIT,TEK,HTR6,CDK7,SRMS,MINK1,KMT2A,MEN1,FGFR2,EPHA2,FGFR3,TAOK1,CDK19,DDR1,EPHB4,FLT1,MYLK2,CDK2,HIPK2,MAPK11,EPHA7,MAP4K5,LIMK1,MAPK9,HIPK4
,EPHA3,MKNK1,SRPK1,TNK1,AURKB,CDKL2,CDKL3,HIPK1,CCNC,MAPK1,EGFR,TGFBR2,HTR2B,CDK5,MAP3K20,MAP4K4,PDGFRA,TIE1,RPS6KA6,FYN,EPHB1,EPHB2,NTRK2,TNIK,NTRK3,MUSK,HIPK3,EPHA1,IRAK1,RORC,MERTK,EPHB6,NLK,MAPK3,
DYRK3,CDK3,NTSR1,RPS6KB1,PLK2,MAP3K7,LIMK2,HCK,HTR2C,CDK15,HTR2A,EPHX2,PLK4,MAP4K1,CDPK1,HTR5A,MYO3B,ABCB11,CSNK1A1,MAP3K19,MET,TAOK2,CSK,JAK3,BLK,RIPK1,CCNA2,HTR1A,SRC,GSK3B,INSR,CA7,CYP19A1,MAP2K1,R
IPK3,PAX8,LMP1,MC4R}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Transcription factor","Unclassified protein",Transporter,Kinase,"Family A G protein-coupled receptor",Reader,"Nuclear receptor",Protease,"Primary ac
tive transporter",Lyase,"Cytochrome P450","Protein Kinase","Small molecule receptor (family A GPCR)",Bromodomain,"Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Serine prote
ase","ATP-binding cassette","Cytochrome P450 family 19","TK protein kinase group","TKL protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Monoamine receptor","Other protein
 kinase group","STE protein kinase group","AGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Serine protease SC clan","ABCB subfamily",
"CK1 protein kinase group","Cytochrome P450 family 19A","Tyrosine protein kinase Eph family","TKL protein kinase RAF family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase VEGFR family"
,"Tyrosine protein kinase PDGFR family","CMGC protein kinase MAPK family","Serotonin receptor","CMGC protein kinase CDK family","Other protein kinase AUR family","Tyrosine protein kinase Axl family","
CAMK protein kinase CAMK2 family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Src family","STE protein kinase STE7 family","Tyrosine protein kinase Abl family","STE protein kinase ST
E20 family","Tyrosine protein kinase FGFR family","TKL protein kinase RIPK family","Tyrosine protein kinase Trk family","Other protein kinase ULK family","CAMK protein kinase unique family","TKL prote
in kinase MLK family","Tyrosine protein kinase DDR family","CAMK protein kinase MLCK family","CMGC protein kinase CLK family","Other protein kinase TTK family","AGC protein kinase DMPK family","Tyrosi
ne protein kinase Tie family","CMGC protein kinase DYRK family","TKL protein kinase LISK family","CMGC protein kinase SRPK family","Tyrosine protein kinase Ack family","CMGC protein kinase CDKL family
","Tyrosine protein kinase EGFR family","TKL protein kinase STKR family","AGC protein kinase RSK family","Tyrosine protein kinase Musk family","TKL protein kinase IRAK family","Nuclear hormone recepto
r subfamily 1 group F member 3","Neurotensin receptor","Other protein kinase PLK family","Serine protease S33 family","CK1 protein kinase CK1 family","STE protein kinase STE11 family","Tyrosine protei
n kinase Met family","Tyrosine protein kinase Csk family","Tyrosine protein kinase JakA family","CMGC protein kinase GSK family","Tyrosine protein kinase InsR family","Cytochrome P450 19A1","Melanocor
tin receptor","CAMK protein kinase MNK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase PCTAIRE","CMGC protein kinase PFTAIRE","CMGC protein kinase CDK8 subfamily","STE protein kina
se SLK subfamily","TKL protein kinase HH498 subfamily","STE protein kinase TAO subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase CDK7 subfamily","Tyrosine protein kinase Srm","STE pr
otein kinase MSN subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase KHS subfamily","TKL protein kinase LIMK subfamily","CMGC protein kinase JNK su
bfamily","CMGC protein kinase ERK1","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase CDK5 subfamily","TKL protein kinase MLK subfamily","AGC protein kinase RSK subfamily","Tyrosine prot
ein kinase SrcA","CMGC protein kinase nmo subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase p70 subfamily","Other protein kinase PLK2","TKL protein kinase TAK1 subfamily","STE prote
in kinase NinaC subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Nuclear hormone receptors",Hydrolases,"ATP-binding cassette transporter family","Carbonic an
hydrases","Cytochrome P450","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors","STE: Homologs of ye
ast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","1F. Retinoic acid-related orphans","Neurotensin receptors","ABCB subfamily","CK1: Casein kinase 1",CYP11,CYP1
7,CYP19,"CYP20 and CYP21 families","Melanocortin receptors","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","Mitogen-activated protein kinases (MAP k
inases)","Cyclin-dependent kinase (CDK) family","Other protein kinases","CAMK2 family","STE7 family","STE20 family","CAMK-unique family","Myosin Light Chain Kinase (MLCK) family","CLK family","DMPK fa
mily","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","SRPK family","Cyclin-dependent kinase-like (CDKL) family","RSK family","Casein kinase 1 (CK1) family","Glycogen sy
nthase kinase (GSK) family","Receptor tyrosine kinases (RTKs)","RAF family","MKN subfamily","p38 subfamily","TAIRE subfamily","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","CDK8
 subfamily","SLK subfamily","Receptor interacting protein kinase (RIPK) family","Unc-51-like kinase (ULK) family","Mixed Lineage Kinase (MLK) family","TAO subfamily","TTK family","Erk7 subfamily","Oth
er DMPK family kinases","CDK7 subfamily","MSN subfamily","CDK1 subfamily","HIPK subfamily","KHS subfamily","LIM domain kinase (LISK) family","JNK subfamily","ERK subfamily","Receptor serine/threonine 
kinase (RSTK) family","CDK5 subfamily","RSK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","nmo subfamily","Dyrk2 subfamily","p70 subfamily","Polo-like kinase (PLK) family","NinaC
 subfamily","STE20 subfamily","GSK subfamily","Type XIII RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 r
eceptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIV RTKs: RET","Src family","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type VII RT
Ks: Neurotrophin receptor/Trk family","HH498 subfamily","Type XVI RTKs: DDR (collagen receptor) family","Type XII RTKs: TIE family of angiopoietin receptors","LIMK subfamily","Ack family","Type I RTKs
: ErbB (epidermal growth factor) receptor family","Type II receptor serine/threonine kinases","MLK subfamily","Type IX RTKs: MuSK","TAK1 subfamily","Type X RTKs: HGF (hepatocyte growth factor) recepto
r family","Csk family","Janus kinase (JakA) family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Disease,"Gene expression (Transcription)","Neuronal System","Immune System","Extracellular matrix organization","Cellular responses to external stimuli",
"Cell Cycle",Metabolism,Hemostasis,"Nervous system development","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","Infectious disease","RNA Polymerase II Transcription","Transm
ission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","Intracellular signaling by second messengers","Non-integrin 
membrane-ECM interactions","Signaling by Rho GTPases","Signaling by Non-Receptor Tyrosine Kinases","Cellular responses to stress",Mitotic,"Metabolism of lipids","Signaling by GPCR","ECM proteoglycans"
,"Cell surface interactions at the vascular wall","Signaling by WNT","MTOR signalling","Cytokine Signaling in Immune system","Reversible hydration of carbon dioxide","Biological oxidations","Axon guid
ance","MAPK1/MAPK3 signaling","Signaling by VEGF","Signaling by Insulin receptor","Signaling by NTRKs","Leishmania infection","Generic Transcription Pathway","Neurotransmitter receptors and postsynapt
ic signal transmission","Oncogenic MAPK signaling","Signaling by NOTCH1 in Cancer","Signaling by KIT in disease","Toll-like Receptor Cascades","PIP3 activates AKT signaling","Signaling by FGFR in dise
ase","HIV Infection","Neutrophil degranulation","RHO GTPase Effectors","Signaling by PTK6","Cellular Senescence","M Phase","Regulation of lipid metabolism by PPARalpha","Signaling by FGFR","GPCR downs
tream signalling","Signaling by TGF-beta Receptor Complex in Cancer","GPCR ligand binding","Signaling by PDGFR in disease","Beta-catenin independent WNT signaling","mTORC1-mediated signalling","Biosyn
thesis of specialized proresolving mediators (SPMs)","Mitotic G2-G2/M phases","Metabolism of steroids","Signaling by WNT in cancer","Signaling by Interleukins","SARS-CoV Infections","Phase I - Functio
nalization of compounds","EPH-Ephrin signaling","RAF/MAP kinase cascade","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","Signaling by NTRK1 (TRKA)","Leishmania parasite grow
th and survival","Transcriptional Regulation by VENTX","Transcriptional Regulation by TP53","VEGFA-VEGFR2 Pathway","Activation of NMDA receptors and postsynaptic events","RET signaling","Signaling by 
RAS mutants","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Drug resistance of KIT mutants","Toll Like Receptor 5 (TLR5) Cascade","PTEN Regulation","Signaling by ROBO receptors","Signaling by
 FGFR1 in disease","Host Interactions of HIV factors","Negative regulation of the PI3K/AKT network","Parasite infection","RHO GTPases activate CIT","HIV Life Cycle","PTK6 Down-Regulation","Oxidative S
tress Induced Senescence","Signaling by FGFR2 in disease","Signaling by FGFR3 in disease","Mitotic Metaphase and Anaphase","PPARA activates gene expression","Semaphorin interactions","Signaling by FGF
R4","G alpha (q) signalling events","Loss of Function of SMAD2/3 in Cancer","Class A/1 (Rhodopsin-like receptors)","Drug resistance of PDGFR mutants","Signaling by NTRK3 (TRKC)","Transcriptional regul
ation by RUNX3","Ca2+ pathway","Toll Like Receptor 4 (TLR4) Cascade","Biosynthesis of DHA-derived SPMs","G2/M Transition","Bile acid and bile salt metabolism","Signaling by AMER1 mutants","Interleukin
-2 family signaling","Transcriptional regulation by RUNX1","SARS-CoV-1 Infection","Cytochrome P450 - arranged by substrate type","EPHA-mediated growth cone collapse","Negative regulation of MAPK pathw
ay","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated signalling","Signalling to ERKs","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activ
ity","Post NMDA receptor activation events","Signalling to ERK5","Signaling downstream of RAS mutants","VEGFR2 mediated cell proliferation","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","D
asatinib-resistant KIT mutants","MyD88 cascade initiated on plasma membrane","Regulation of PTEN stability and activity","Role of ABL in ROBO-SLIT signaling","FGFR1 mutant receptor activation","The ro
le of Nef in HIV-1 replication and disease pathogenesis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Leishmania phagocytosis","Late Phase of HIV Life Cycle","FGFR2 mutant receptor activation","S
ignaling by FGFR3 point mutants in cancer","Mitotic Anaphase","EPHB-mediated forward signaling","Sema4D in semaphorin signaling","Negative regulation of FGFR4 signaling","Gastrin-CREB signalling pathw
ay via PKC and MAPK","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Amine ligand-binding receptors","Imatinib-resistant PDGFR mutants","Activation of TRKA receptors","Activated NTRK3 signals throu
gh PI3K","RUNX3 Regulates Immune Response and Cell Migration","Peptide ligand-binding receptors","MyD88-independent TLR4 cascade","Biosynthesis of maresins","Centrosome maturation","Synthesis of bile 
acids and bile salts","Truncations of AMER1 destabilize the destruction complex","Interleukin-15 signaling","RUNX1 regulates transcription of genes involved in BCR signaling","SARS-CoV-1 Genome Replic
ation and Transcription","Endogenous sterols","Negative feedback regulation of MAPK pathway","PI3K Cascade","Signalling to RAS","ADORA2B mediated anti-inflammatory cytokines production","Prolonged ERK
 activation events","Regulation of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FCGR3A-mediated IL10 synthesis","MAP kinas
e activation","Signaling by activated point mutants of FGFR1","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated phagocytosis","Transcrip
tion of the HIV genome","Activated point mutants of FGFR2","FGFR3 mutant receptor activation","Separation of Sister Chromatids","Regulation of TP53 Expression and Degradation","Sema4D induced cell mig
ration and growth-cone collapse","Spry regulation of FGF signaling","EGFR Transactivation by Gastrin","Serotonin receptors","Nef and signal transduction","NGF-independant TRKA activation","CD163 media
ting an anti-inflammatory response","TRIF(TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase microtubule organization from the centrosome","Synthesis of bile acids and bile sal
ts via 7alpha-hydroxycholesterol","Sema4D mediated inhibition of cell attachment and migration","Replication of the SARS-CoV-1 genome","p38MAPK events","ARMS-mediated activation","Ras activation upon 
Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Nef Mediated CD4 Down-regulation","HIV Transcription Elongation
","Signaling by activated point mutants of FGFR3","Regulation of TP53 Degradation","RSK activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Loss of Nlp from mitotic centrosomes
","IKK complex recruitment mediated by RIP1","Activation of the AP-1 family of transcription factors","Tat-mediated elongation of the HIV-1 transcript","ERK/MAPK targets","Formation of HIV-1 elongatio
n complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{BRAF,DDR2,FGFR1,FLT1,FLT3,FLT4,KDR,KIT,PDGFRB,RAF1,RET}

> <broad_moa>
{"FLT3 inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","RAF inhibitor","RET tyrosine kinase inhibitor","VEGFR inhibitor"}

> <synonyms>
{"AY 43900",Sorafenib,284461-73-0,284461730,Nexavar,"BAY 43-9006","BAY 439006",UNII-9ZOQ3TZI87,UNII9ZOQ3TZI87,"Sorafenib free base","284461-73-0 (free base)","284461730 (free base)",100012-18-8,100012
188,BAY-43-9006,BAY439006,9ZOQ3TZI87,CHEMBL1336,DTXSID7041128,CHEBI:50924,MFCD06411450,"Sorafenib (Nexavar)","Donafenib (Sorafenib D3)",T0093L,747971,10009644,S7397,"NSC 747971",sorafenib,"Sorafenib T
osylate",SORAFENIB,"Sorafenib tosylate"}

> <pdid>
PD003493

> <targets>
{B-Raf,PDGFR,Raf,RAF,KIT,VEGFR2/3,Apoptosis,Autophagy,Ferroptosis,FLT3,VEGFR}

> <classes>
{Raf/PDGF/VEGFR inhibitor,Apoptosis,Autophagy,MAPK/ERK Pathway,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{216239}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 21  0  0  0  0            999 V2000
   10.1943   -1.5085    0.0000 H   0  3
    7.6943   -1.5085    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.3996    1.4837    0.0000 C   0  0
   -9.0964   -0.7636    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 12 22  1  0
 22 23  2  0
 23  9  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12467

> <plate>
PLATE 019

> <well>
H7

> <supplier_cmpd_name>
Esmolol hydrochloride

> <ctcr_id>
2228

> <supplier_cmpd_id>
T1503

> <smiles>
[H+].[Cl-].COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1

> <pd_targets>
{ADRB2,ADRB1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{ADRB1}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{CHEBI:4857,"(+-)-esmolol hydrochloride","(+)esmolol hydrochloride","methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochloride","methyl p(2hydroxy3(isopropylamino)propoxy)hydrocinnama
te hydrochloride",AKOS026750127,"Esmolol hydrochloride",81161-17-3,81161173,"Esmolol HCL",Brevibloc,"Esmolol (hydrochloride)",ASL-8052,ASL8052,(R)-E,(R)E,T1503,SAM001246533,Prestw-1137,CPD000469141}

> <pdid>
PD010181

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{46878362,57515992,104769}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3092   -5.2494    0.0000 N   0  0
    2.6108   -5.9949    0.0000 C   0  0
    3.9073   -5.2404    0.0000 C   0  0
    3.9021   -3.7404    0.0000 C   0  0
    2.6004   -2.9949    0.0000 S   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12468

> <plate>
PLATE 019

> <well>
H8

> <supplier_cmpd_name>
Xylazine hydrochloride

> <ctcr_id>
3792

> <supplier_cmpd_id>
T1500

> <smiles>
Cc1cccc(C)c1NC2=NCCCS2

> <pd_targets>
{ADRA2A,ADRA2B,ADRA2C,TSHR,CYP3A4,CYP2D6,ADRA1A,ADRA1B,ADRA1D,RORC,CHRM1,LMNA,PMP22,MAPT,BLM}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Transcription factor","Other nuclear protein","Unclassified protein","Other cytosolic protein","Family A G protein-coupled receptor","Cytochrome P450","Nuclear receptor","
Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Monoamine receptor","Glycohorm
one receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F","Adrenergic receptor","Cytochrome P450 3A4","Cytochrome P450 2D6","Nuclear hormone 
receptor subfamily 1 group F member 3","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Nuclear hormone receptors","Glycoprotein hormone receptors","CYP3 family",Adrenoceptors,"CYP2 family: drug metabolising subset","1F.
 Retinoic acid-related orphans","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{Disease,Metabolism,"Signal Transduction","Gene expression (Transcription)","Cell Cycle","Developmental Biology","Neuronal System","DNA Repair","Infectious disease","Metabolism of lipids","Signaling b
y GPCR","Biological oxidations","RNA Polymerase II Transcription",Mitotic,"Nervous system development","Transmission across Chemical Synapses","DNA Double-Strand Break Repair","Leishmania infection","
Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","Phase I - Functionalization of compounds","Generic Transcription Pathway","M Phase","EGR2 and SOX10-mediated initiatio
n of Schwann cell myelination","Neurotransmitter receptors and postsynaptic signal transmission","Homology Directed Repair","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs"
,"Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsyna
ptic events","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","Amine ligand
-binding receptors",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Post NMDA receptor activation events","HDR through Homologous Recombination (HRR)","ADORA2B med
iated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs",Adrenoceptors,"CYP2E1 reactions","Muscarinic acetylcholine receptors","Nuclear Envelope (NE) Reassembly","Activation o
f AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ADRA2A,ADRA2B,ADRA2C}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{RESTW59,xylazine,7361-61-7,7361617,"N-(2,6-Dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine","N(2,6Dimethylphenyl)5,6dihydro4H1,3thiazin2amine",Rompun,Xylazin,Xilazina,Xylazinum,"BAY 1470","4H-1,3-
Thiazin-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro-","4H1,3Thiazin2amine, N(2,6dimethylphenyl)5,6dihydro","WH 7286","Bayer 1470",UNII-2KFG9TP5V8,UNII2KFG9TP5V8,2-(2,2(2,6-Dimethylani,6Dimethylani,T15
00,1501200,Prestw-598,"Xylazine hydrochloride",XYLAZINE,Xylazine}

> <pdid>
PD001454

> <targets>
{}

> <classes>
{analgesic}

> <pubchem_cids>
{5707}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 67 68  0  0  0  0            999 V2000
   21.9243   -2.6257    0.0000 Ca  0  2
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -6.4924   -3.7566    0.0000 F   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    0.0093   -6.0025    0.0000 O   0  0
    2.6078   -5.9988    0.0000 C   0  0
    2.6109   -7.4996    0.0000 C   0  0
    1.3132   -8.2519    0.0000 O   0  0
    3.9117   -8.2481    0.0000 C   0  0
    3.9148   -9.7490    0.0000 C   0  0
    2.6171  -10.5012    0.0000 O   0  5
    5.2149  -10.4971    0.0000 O   0  0
   -0.0031    3.0008    0.0000 N   0  0
    1.2946    3.7531    0.0000 C   0  0
   -1.3039    3.7494    0.0000 S   0  0
   -2.6044    4.4969    0.0000 C   0  0
   -1.3070    5.2494    0.0000 O   0  0
   -2.6017    2.9971    0.0000 O   0  0
   18.1070   -0.7459    0.0000 C   0  0
   16.8090   -1.4977    0.0000 C   0  0
   16.8116   -2.9977    0.0000 C   0  0
   15.5077   -0.7500    0.0000 C   0  0
   15.5077    0.7500    0.0000 N   0  0
   14.2087    1.5000    0.0000 C   0  0
   12.9096    0.7500    0.0000 N   0  0
   12.9096   -0.7500    0.0000 C   0  0
   11.6099   -1.5004    0.0000 C   0  0
   10.3096   -0.7525    0.0000 C   0  0
    9.0118   -1.5046    0.0000 C   0  0
    9.0142   -3.0046    0.0000 C   0  0
    7.7163   -3.7566    0.0000 F   0  0
   10.3144   -3.7525    0.0000 C   0  0
   11.6122   -3.0004    0.0000 C   0  0
   14.2087   -1.5000    0.0000 C   0  0
   14.2118   -3.0008    0.0000 C   0  0
   15.5126   -3.7494    0.0000 C   0  0
   15.5157   -5.2502    0.0000 C   0  0
   14.2179   -6.0025    0.0000 O   0  0
   16.8165   -5.9988    0.0000 C   0  0
   16.8196   -7.4996    0.0000 C   0  0
   15.5219   -8.2519    0.0000 O   0  0
   18.1204   -8.2481    0.0000 C   0  0
   18.1235   -9.7490    0.0000 C   0  0
   16.8258  -10.5012    0.0000 O   0  5
   19.4236  -10.4971    0.0000 O   0  0
   14.2056    3.0008    0.0000 N   0  0
   15.5033    3.7531    0.0000 C   0  0
   12.9047    3.7494    0.0000 S   0  0
   11.6043    4.4969    0.0000 C   0  0
   12.9016    5.2494    0.0000 O   0  0
   11.6070    2.9971    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  9 17  2  0
 17  5  1  0
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
  7 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 31 34  2  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 46 48  1  0
 48 49  2  0
 49 43  1  0
 42 50  2  0
 50 38  1  0
 50 51  1  0
 51 52  2  3
 52 53  1  0
 53 54  1  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 56 58  1  0
 58 59  1  0
 59 60  1  0
 59 61  2  0
 40 62  1  0
 62 63  1  0
 62 64  1  0
 64 65  1  0
 64 66  2  0
 64 67  2  0
M  CHG  3   1   2  27  -1  60  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12469

> <plate>
PLATE 019

> <well>
H9

> <supplier_cmpd_name>
Rosuvastatin calcium

> <ctcr_id>
2984

> <supplier_cmpd_id>
T1510

> <smiles>
[Ca++].CC(C)c1nc(nc(c2ccc(F)cc2)c1C=CC(O)CC(O)CC([O-])=O)N(C)[S](C)(=O)=O.CC(C)c3nc(nc(c4ccc(F)cc4)c3C=CC(O)CC(O)CC([O-])=O)N(C)[S](C)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS3651I14,HMS3871N03,"Rosuvastatin calcium",147098-20-2,147098202,MFCD04112702,AK-72882,AK72882,SY073043,FT-0631176,FT0631176,FT-0658240,FT0658240,S2169,"Rosuvastatin Calcium"}

> <pdid>

> <targets>
{RAAS}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{16413926}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    1.9377   -1.2222    0.0000 O   0  0
    0.4600   -1.4800    0.0000 C   0  0
   -1.4000   -1.8100    0.0000 C   0  0
   -2.8500   -1.5200    0.0000 C   0  0
   -4.4800   -2.2100    0.0000 C   0  0
   -2.6000   -2.1800    0.0000 C   0  0
   -1.1200   -2.5800    0.0000 C   0  0
   -2.5400   -1.3600    0.0000 C   0  0
   -1.2300   -0.3200    0.0000 C   0  0
   -2.8500   -0.7400    0.0000 C   0  0
    0.4900   -0.6700    0.0000 C   0  0
   -1.2964    1.1627    0.0000 N   0  0
   -0.0293    1.9670    0.0000 C   0  0
   -0.0913    3.4665    0.0000 C   0  0
   -1.4204    4.1618    0.0000 O   0  0
    1.1758    4.2708    0.0000 N   0  0
    2.5510    3.7042    0.0000 C   0  0
    3.5093    4.8581    0.0000 C   0  0
    2.7081    6.1262    0.0000 C   0  0
    1.2545    5.7560    0.0000 C   0  0
    0.0947    6.7043    0.0000 C   0  0
   -1.0666    7.6538    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10  4  1  0
  9 11  1  0
 11  2  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 16  1  0
 20 21  1  0
 21 22  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12470

> <plate>
PLATE 019

> <well>
H10

> <supplier_cmpd_name>
Vildagliptin

> <ctcr_id>
1460

> <supplier_cmpd_id>
T1502

> <smiles>
OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N4CCCC4C#N

> <pd_targets>
{DPP4,DPP8,DPP9,FAP,"DPP IV"}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Protease,"Serine protease","Serine protease SC clan","Serine protease S9B subfamily","Serine protease S9A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","SC: Serine (S) Peptidases","S9: Prolyl oligopeptidase"}

> <pathway_reactome>
{"Metabolism of proteins","Peptide hormone metabolism","Incretin synthesis",secretion,"and inactivation",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)"}

> <broad_targets>
{DPP4}

> <broad_moa>
{"dipeptidyl peptidase inhibitor"}

> <synonyms>
{"ILDAGLIPTIN (LAF237",Vildagliptin,(2R)-Vildagliptin,(2R)Vildagliptin,274901-16-5,274901165,1036959-27-9,1036959279,1-(2-((3-hydroxy-1-adamantyl)amino)acetyl)pyrrolidine-2-carbonitrile,1(2((3hydroxy1
adamantyl)amino)acetyl)pyrrolidine2carbonitrile,Vildagliptin-d7,Vildagliptind7,1133208-42-0,1133208420,SCHEMBL354910,"US8785477, Vildagliptin",SCHEMBL1082457,CHEMBL3665969,BDBM126,T1502,S3033,"Vildagl
iptin (LAF-237)"}

> <pdid>
PD007558

> <targets>
{DPP-4}

> <classes>
{Proteases}

> <pubchem_cids>
{5251896}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4930   -3.7570    0.0000 C   0  0
    6.4931   -5.2570    0.0000 C   0  0
    7.7922   -6.0070    0.0000 C   0  0
    9.0912   -5.2570    0.0000 C   0  0
    9.0912   -3.7570    0.0000 C   0  0
    7.7922   -3.0070    0.0000 C   0  0
   10.3902   -6.0070    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12  7  1  0
 10 13  1  0
  3 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  3
 21 16  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 14  1  0
 24 25  2  0
 15 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12471

> <plate>
PLATE 019

> <well>
H11

> <supplier_cmpd_name>
Atovaquone

> <ctcr_id>
4182

> <supplier_cmpd_id>
T1491

> <smiles>
C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW53,SCHEMBL637069,ATOVAQUONE,95233-18-4,95233184,Mepron,Wellvone,Acuvel,Atavaquone,566C80,"Mepron (antipneumocystic)",94015-53-9,94015539,cis-Atovaquone,cisAtovaquone,"BW 566C",566C,C22H19ClO3,"3
-(4-(4-chlorophenyl)cyclohexyl)-4-hydroxynaphthalene-1,2-dione","3(4(4chlorophenyl)cyclohexyl)4hydroxynaphthalene1,2dione","Atovaquone (Atavaquo",Prestw-534,Atovaquone}

> <pdid>
PD055823

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{74989}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -3.8794    1.4442    0.0000 C   0  0
   -4.8823    2.5608    0.0000 C   0  0
   -6.3509    2.2515    0.0000 C   0  0
   -7.3532    3.3674    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 N   0  0
   -2.5951   -3.0031    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 O   0  0
    6.4855   -8.2648    0.0000 C   0  0
    7.7846   -7.5149    0.0000 C   0  0
    9.0836   -8.2649    0.0000 C   0  0
    9.0836   -9.7649    0.0000 C   0  0
    7.7845  -10.5149    0.0000 C   0  0
    6.4855   -9.7648    0.0000 C   0  0
    5.1873  -10.5179    0.0000 O   0  0
    5.1895  -12.0188    0.0000 C   0  0
    3.8913  -12.7719    0.0000 C   0  0
    3.8934  -14.2719    0.0000 F   0  0
    2.5909  -12.0241    0.0000 F   0  0
    2.5934  -13.5239    0.0000 F   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  9 14  1  0
 14  6  2  0
 14 15  1  0
 15 16  2  0
 16  4  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
  2 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12472

> <plate>
PLATE 020

> <well>
A2

> <supplier_cmpd_name>
Silodosin

> <ctcr_id>
8198

> <supplier_cmpd_id>
T1504

> <smiles>
C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc3ccccc3OCC(F)(F)F

> <pd_targets>
{ADRA1A,GSC2,ADRA1B,ADRA1D,KCNH2,SCN5A}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Ion channel","Family A G protein-coupled receptor",Transferase,"Voltage-gated ion channel","Small molecule receptor (family A GPCR)","Potassium channels","Voltage-gated so
dium channel","Monoamine receptor","Voltage-gated potassium channel","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels",Adrenoceptors,"Potassium channels","Voltage-gated sodium channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Developmental Biology","Signaling by GPCR","Cardiac conduction","Nervous system development","GPCR ligand binding","Phase 3 - rapid repolarisation","Axon g
uidance","Class A/1 (Rhodopsin-like receptors)","L1CAM interactions","Amine ligand-binding receptors","Interaction between L1 and Ankyrins",Adrenoceptors}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{Silodosin,160970-54-7,160970547,Rapaflo,Urief,Silodyx,KMD-3213,KMD3213,Urorec,"KMD 3213",UNII-CUZ39LUY82,UNIICUZ39LUY82,KAD-3213,KAD3213,CUZ39LUY82,CHEMBL24778,Silodosin-d6,Silodosind6,Rapflo,"KAD 32
13","Silodosin (INN:BAN)","Rapaflo (TN)","Silodosin (Rapaflo)","Urief (TN)","Silodosin (JP17/INN)",S1613}

> <pdid>
PD009321

> <targets>
{"Adrenergic Recepto"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{5312125}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    4.3268   -3.5085    0.0000 C   0  0
    5.1937   -3.0100    0.0000 O   0  0
    5.1972   -1.5092    0.0000 C   0  0
    4.2349   -0.3576    0.0000 C   0  0
    2.7562   -0.6142    0.0000 O   0  0
    1.7938    0.5375    0.0000 C   0  0
    2.3068    1.9470    0.0000 N   0  0
    1.3426    3.0961    0.0000 C   0  0
    1.8557    4.5056    0.0000 C   0  0
   -0.1346    2.8356    0.0000 C   0  0
   -0.6476    1.4261    0.0000 C   0  0
   -2.1248    1.1656    0.0000 C   0  0
    0.3166    0.2770    0.0000 N   0  0
    4.7486    1.0526    0.0000 C   0  0
    6.2260    1.3121    0.0000 O   0  0
    3.7855    2.2026    0.0000 O   0  0
    6.4990   -0.7623    0.0000 C   0  0
    7.7960   -1.5158    0.0000 C   0  0
    9.0971   -0.7693    0.0000 C   0  0
    9.1011    0.7307    0.0000 C   0  0
    7.8041    1.4842    0.0000 C   0  0
    6.5030    0.7377    0.0000 C   0  0
    3.8959   -2.2567    0.0000 C   0  0
    3.8926   -3.7567    0.0000 C   0  0
    2.5919   -4.5039    0.0000 C   0  0
    1.2945   -3.7510    0.0000 C   0  0
    1.2978   -2.2510    0.0000 C   0  0
    2.5985   -1.5039    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
  4 14  1  0
 14 15  1  0
 14 16  2  0
  3 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
  3 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12473

> <plate>
PLATE 020

> <well>
A3

> <supplier_cmpd_name>
Ambrisentan

> <ctcr_id>
6334

> <supplier_cmpd_id>
T1655

> <smiles>
COC(C(Oc1nc(C)cc(C)n1)C(O)=O)(c2ccccc2)c3ccccc3

> <pd_targets>
{EDNRA,EDNRB,KCNE1,KCNQ1,NR1I2,NS1,POLB,AMPC}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Transcription factor","Unclassified protein",Enzyme,"Family A G protein-coupled receptor","Voltage-gated ion channel","Nuclear receptor",Hydrolase,"Peptide receptor
 (family A GPCR)","Potassium channels","Nuclear hormone receptor subfamily 1","Short peptide receptor (family A GPCR)","Voltage-gated potassium channel","Nuclear hormone receptor subfamily 1 group I",
"Endothelin receptor","Nuclear hormone receptor subfamily 1 group I member 2"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Nuclear hormone receptors","Endothelin receptors","1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{"Signal Transduction","Metabolism of proteins","DNA Repair","Signaling by GPCR","Post-translational protein modification","Base Excision Repair","GPCR ligand binding",SUMOylation,"Resolution of Abasi
c Sites (AP sites)","Class A/1 (Rhodopsin-like receptors)","SUMO E3 ligases SUMOylate target proteins","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Peptide ligand-bi
nding receptors","SUMOylation of intracellular receptors","PCNA-Dependent Long Patch Base Excision Repair"}

> <broad_targets>
{EDNRA,EDNRB}

> <broad_moa>
{"endothelin receptor antagonist"}

> <synonyms>
{"Ambrisentan (+/-)-form (MI)","Ambrisentan (+/)form (MI)","Ambrisentan D10",NCGC00160662-01,NCGC0016066201,(+/-)-Ambrisentan,(+/)Ambrisentan,rac-ambrisentan,racambrisentan,CHEMBL302753,713516-99-5,71
3516995,"2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid","2(4,6dimethylpyrimidin2yl)oxy3methoxy3,3diphenylpropanoic acid","BSF 208075;LU 208075","(R)-BSF 208075;(R)-LU 2","(R)B
SF 208075;(R)LU 2",Prestw-1497,S2097,Ambrisentan}

> <pdid>
PD009301

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{197712}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    8.5454   -0.3119    0.0000 C   0  0
    7.0537   -0.4695    0.0000 O   0  0
    6.4430   -1.8405    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.8054   -4.6666    0.0000 C   0  0
    3.9200   -5.8774    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8963    3.7531    0.0000 C   0  0
   -5.1967    3.0053    0.0000 O   0  0
   -3.8942    5.2531    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
    1.2997    3.7504    0.0000 C   0  0
    2.7206    3.7070    0.0000 C   0  0
    1.9685    5.0048    0.0000 C   0  0
   12.3462    1.1879    0.0000 C   0  0
   12.3462   -0.3121    0.0000 S   0  0
   12.3462   -1.8121    0.0000 O   0  0
   11.0469   -1.0617    0.0000 O   0  0
   13.6455   -1.0617    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 17 19  2  0
 16 20  1  0
 20 21  2  0
 20 22  1  0
 22 13  2  0
 22 23  1  0
 23 24  2  0
 24 11  1  0
 24 25  1  0
 14 26  1  0
 26 27  1  0
 27 28  1  0
 28 26  1  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 30 33  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12474

> <plate>
PLATE 020

> <well>
A4

> <supplier_cmpd_name>
Gemifloxacin mesylate

> <ctcr_id>
6496

> <supplier_cmpd_id>
T1492

> <smiles>
CO\N=C1/CN(CC1CN)c2nc3N(C=C(C(O)=O)C(=O)c3cc2F)C4CC4.C[S](O)(=O)=O

> <pd_targets>
{LMNA,KDM4E,HSD17B10,GYRA,GYRB,PARC,ABCC4,PARE}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator",Enzyme,Transporter,Eraser,Oxidoreductase,Protease,Isomerase,"Primary active transporter","Lysine demethylase","Cysteine protease","ATP-binding cassette"
,"Jumonji domain-containing","Cysteine protease CA clan","ABCC subfamily","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,Transporters,"Chromatin modifying enzymes","ATP-binding cassette transporter family","1.14.11.- Histone demethylases","ABCC subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Hemostasis,Mitotic,"Metabolism of amino acids and derivatives","Platelet activation","signaling and aggregation","M Phase","Branched-chain amino acid catabolism","Response to 
elevated platelet cytosolic Ca2+","Mitotic Metaphase and Anaphase","Platelet degranulation","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{C18H20FN5O4.CH4O3O,Floxguard,Gemixa,"Gemifloxacin mesylate","Gemifioxacin Mesylate",Factive,210353-53-0,210353530,"Gemifloxacin mesilate","Gemifloxacin (mesylate)","Gemifloxacin mesylate (USAN)",CHEB
I:53749,"LB 20304a",LB-20304a,LB20304a,SB-265805-S,SB265805S,T1492,1505802,Gemifloxacin mesylate,"GEMIFLOXACIN MESYLATE"}

> <pdid>
PD009772

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{9588170}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    2.5987   -1.5004    0.0000 N   0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.8054   -4.6666    0.0000 C   0  0
    6.2966   -4.8284    0.0000 O   0  0
    3.9195   -5.8781    0.0000 N   0  0
    4.5246   -7.2506    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.6928    4.0817    0.0000 C   0  0  2  0  0  0
    0.2491    5.5022    0.0000 O   0  0
    1.4855    6.3515    0.0000 C   0  0  1  0  0  0
    2.6753    5.4380    0.0000 C   0  0  2  0  0  0
    2.1742    4.0242    0.0000 C   0  0  1  0  0  0
    3.0158    2.7826    0.0000 O   0  0
    4.1136    5.8637    0.0000 O   0  0
    1.5220    7.8493    0.0000 C   0  0
    0.2421    8.6315    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  1 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  2  0
 16 17  1  0
 17 18  2  0
 18 10  1  0
 17 19  1  0
 20 13  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 24 25  1  1
 23 26  1  1
 22 27  1  6
 27 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12475

> <plate>
PLATE 020

> <well>
A5

> <supplier_cmpd_name>
Regadenoson

> <ctcr_id>
11195

> <supplier_cmpd_id>
T2671

> <smiles>
n1(ncc(c1)C(=O)NC)c1nc2n(cnc2c(n1)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO

> <pd_targets>
{ADORA2B,ADORA2A,ADORA1,ADORA3}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Adenosine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Adenosine receptors"}

> <pathway_reactome>
{Disease,"Signal Transduction","Infectious disease","Signaling by GPCR","Leishmania infection","GPCR ligand binding","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","A
nti-inflammatory response favouring Leishmania parasite infection","Nucleotide-like (purinergic) receptors","ADORA2B mediated anti-inflammatory cytokines production","Adenosine P1 receptors"}

> <broad_targets>
{ADORA1,ADORA2A,ADORA2B,ADORA3}

> <broad_moa>
{"adenosine receptor agonist"}

> <synonyms>
{Regadenoson,313348-27-5,313348275,Lexiscan,Rapiscan,UNII-7AXV542LZ4,UNII7AXV542LZ4,CVT-3146,CVT3146,7AXV542LZ4,CHEMBL317052,2-(4-((Methylamino)carbonyl)-1H-pyrazol-1-yl)adenosine,2(4((Methylamino)car
bonyl)1Hpyrazol1yl)adenosine,"Adenosine, 2-(4-((methylamino)carbonyl)-1H-pyrazol-1-yl)-","Adenosine, 2(4((methylamino)carbonyl)1Hpyrazol1yl)","Lexiscan (TN)","CVT 3146",Regadenos,T2671}

> <pdid>
PD009316

> <targets>
{A2A}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{219024}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  1  0            999 V2000
   -4.2021   -5.7042    0.0000 C   0  0
   -2.7021   -5.7095    0.0000 C   0  0
   -1.9555   -7.0115    0.0000 O   0  0
   -0.4547   -7.0168    0.0000 C   0  0
    0.2973   -5.7189    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5453   -7.0213    0.0000 C   0  0
    1.7933   -8.3192    0.0000 C   0  0
    0.2933   -8.3170    0.0000 C   0  0
   -0.4563   -9.6172    0.0000 O   0  0
    0.2935  -10.9163    0.0000 C   0  0
    2.5498   -4.4223    0.0000 C   0  0  1  0  0  0
    4.0506   -4.4280    0.0000 C   0  0
    4.7969   -5.7301    0.0000 S   0  0
    5.5422   -7.0318    0.0000 C   0  0
    6.2969   -5.7357    0.0000 O   0  0
    4.0424   -7.0265    0.0000 O   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -3.8964    0.7545    0.0000 C   0  0
   -5.1996   -1.4928    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
  6 12  1  0
 12 13  1  6
 13 14  1  0
 14 15  1  0
 14 16  2  0
 14 17  2  0
 12 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 25 30  2  0
 30 21  1  0
 30 31  1  0
 31 18  1  0
 31 32  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12476

> <plate>
PLATE 020

> <well>
A6

> <supplier_cmpd_name>
Apremilast

> <ctcr_id>
7552

> <supplier_cmpd_id>
T2923

> <smiles>
CCOc1cc(ccc1OC)[C@@H](C[S](C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O

> <pd_targets>
{PDE4B,PDE4D,PDE4A,PDE4C,PDE4}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Phosphodiesterase,"Phosphodiesterase 4","Phosphodiesterase 4B","Phosphodiesterase 4D","Phosphodiesterase 4A","Phosphodiesterase 4C"}

> <pathway_chembl>
{Enzymes,"Cyclic nucleotide turnover/signalling",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (i) signalling events","Opioid Signalling","DARPP-32 events"}

> <broad_targets>
{PDE4A,PDE4B,PDE4C,PDE4D}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{Apremilast,608141-41-9,608141419,OTEZLA,CC-10004,CC10004,"CC 10004","Apremilast (CC-10004)","Apremilast (CC10004)",UNII-UP7QBP99PN,UNIIUP7QBP99PN,CHEBI:78540,UP7QBP99PN,CHEMBL514800,C22H24N2O7S,"Apre
milast (USAN:INN)",apremilastum,MFCD18782607,"HSDB 8221","Otezla (TN)","Apremilast (JAN/USAN)",Ap,S8034}

> <pdid>
PD009329

> <targets>
{PDE}

> <classes>
{}

> <pubchem_cids>
{11561674}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 O   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0866    3.7711    0.0000 N   0  0
   -9.0793    5.2719    0.0000 C   0  0
   -7.7764    6.0151    0.0000 O   0  0
  -10.3749    6.0295    0.0000 C   0  0
  -11.7592    6.1035    0.0000 C   0  0
  -11.0161    4.8004    0.0000 C   0  0
  -10.3671    7.5307    0.0000 C   0  0
   -9.0640    8.2735    0.0000 O   0  0
  -11.6625    8.2886    0.0000 N   0  0
  -11.6547    9.7894    0.0000 C   0  0
  -12.9483   10.5489    0.0000 C   0  0
  -12.9374   12.0489    0.0000 C   0  0
  -11.6330   12.7894    0.0000 C   0  0
  -11.6222   14.2894    0.0000 F   0  0
  -10.3394   12.0301    0.0000 C   0  0
  -10.3502   10.5301    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 18  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 24  1  0
 14 31  1  0
 31 32  2  0
 32 11  1  0
  9 33  2  0
 33  5  1  0
 33 34  1  0
 34 35  2  0
 35  3  1  0
 35 36  1  0
 36 37  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12477

> <plate>
PLATE 020

> <well>
A7

> <supplier_cmpd_name>
Cabozantinib

> <ctcr_id>
3519

> <supplier_cmpd_id>
T2586

> <smiles>
COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC

> <pd_targets>
{MST1R,MET,KDR,RET,KIT,FLT3,TEK,EGFR,FLT1,AXL,SRC,FGFR1,AURKA,FLT4,KIF5B,CCDC6}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","Tyrosine protein kinase Met family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Ret family",
"Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Tie family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Src family","Tyrosine pr
otein kinase FGFR family","Other protein kinase AUR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family
","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIV RTKs: RET","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 rec
eptor family","Type XII RTKs: TIE family of angiopoietin receptors","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Src fa
mily","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,"Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Nervous system development","Diseases of signal transduction by growt
h factor receptors and second messengers","MAPK family signaling cascades","Signaling by GPCR","RNA Polymerase II Transcription","Signaling by MST1","Axon guidance","Signaling by VEGF","Signaling by K
IT in disease","Signaling by Insulin receptor","MAPK1/MAPK3 signaling","GPCR downstream signalling","Signaling by NTRKs","Signaling by FGFR in disease","Generic Transcription Pathway","Semaphorin inte
ractions","VEGFA-VEGFR2 Pathway","RET signaling","Drug resistance of KIT mutants","Insulin receptor signalling cascade","RAF/MAP kinase cascade","G alpha (q) signalling events","VEGF ligand-receptor i
nteractions","Signaling by NTRK1 (TRKA)","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","Sema4D in semaphorin signaling","VEGFR2 mediated cell proliferation","Dasatinib-resistant
 KIT mutants","IRS-mediated signalling","Gastrin-CREB signalling pathway via PKC and MAPK","VEGF binds to VEGFR leading to receptor dimerization","Signalling to ERKs","FGFR1 mutant receptor activation
","Regulation of TP53 Activity","Sema4D mediated inhibition of cell attachment and migration","PI3K Cascade","EGFR Transactivation by Gastrin","Signalling to RAS","Signaling by activated point mutants
 of FGFR1","Regulation of TP53 Activity through Phosphorylation","p38MAPK events"}

> <broad_targets>
{KDR,MET,RET}

> <broad_moa>
{"RET tyrosine kinase inhibitor","VEGFR inhibitor"}

> <synonyms>
{SB20062,Cabozantinib,849217-68-1,849217681,Cometriq,XL184,XL-184,BMS-907351,BMS907351,"XL 184","BMS 907351","Cabozantinib (XL184, BMS-907351)","Cabozantinib (XL184, BMS907351)",UNII-1C39JW444G,UNII1C
39JW444G,CHEBI:72317,"XL-184 free base","XL184 free base",1C39JW444G,MFCD20926324,"Cabometyx (TN)","Cometriq (TN)",Cabo,T2586,T5164,761068,S1119,"Cabozantinib hydrochloride (849217-68-1(free base))",c
abozantinib}

> <pdid>
PD003215

> <targets>
{VEGFR,c-Kit,Tie-2,Axl,FLT3,c-Met,Apoptosis,c-Met/HGFR,TAM Receptor}

> <classes>
{Tyrosine kinase inhibitor,Protein Tyrosine Kinase,Apoptosis,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{25102847}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 N   0  0
   -4.9530   -1.9978    0.0000 O   0  0
   -4.2010   -3.2957    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 N   0  0
   -4.8092   -4.6676    0.0000 C   0  0
   -3.8322   -5.8081    0.0000 C   0  0
   -4.3352   -7.2212    0.0000 C   0  0
   -5.8105   -7.4922    0.0000 C   0  0
   -6.7828   -6.3499    0.0000 C   0  0
   -6.2798   -4.9368    0.0000 C   0  0
   -7.2518   -3.7943    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12478

> <plate>
PLATE 020

> <well>
A8

> <supplier_cmpd_name>
Ataluren

> <ctcr_id>
2056

> <supplier_cmpd_id>
T1805

> <smiles>
OC(=O)c1cccc(c1)c2noc(n2)c3ccccc3F

> <pd_targets>
{RORC,ALD}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3",Enzyme,Oxidored
uctase}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{DMD}

> <broad_moa>
{"CFTR channel agonist","dystrophin stimulant"}

> <synonyms>
{STL555957,Ataluren,775304-57-9,775304579,PTC124,"3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoic acid","3(5(2fluorophenyl)1,2,4oxadiazol3yl)benzoic acid",PTC-124,"3-(5-(2-Fluorophenyl)-1,2,4-oxadi
azol-3-yl)benzoic acid","3(5(2Fluorophenyl)1,2,4oxadiazol3yl)benzoic acid","PTC124 (Ataluren)","Ataluren (PTC124)","PTC 124",UNII-K16AME9I3V,UNIIK16AME9I3V,K16AME9I3V,"Benzoic a",T1805,S6003}

> <pdid>
PD009339

> <targets>
{CFTR,Others,Autophagy}

> <classes>
{Transmembrane Transporters,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{11219835}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    1.2948    3.7517    0.0000 O   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    7.7927    6.0049    0.0000 C   0  0
    9.0914    5.2527    0.0000 N   0  0
   10.3927    6.0005    0.0000 C   0  0
   10.3952    7.5005    0.0000 O   0  0
   11.6914    5.2482    0.0000 C   0  0
   12.9927    5.9960    0.0000 C   0  0
   14.2914    5.2438    0.0000 C   0  0
   15.5930    5.9893    0.0000 C   0  0
   16.8895    5.2348    0.0000 N   0  0
   16.8843    3.7348    0.0000 C   0  0
   15.5827    2.9893    0.0000 C   0  0
   14.2863    3.7437    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 10 23  1  0
 23 24  2  0
 24  7  1  0
  3 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12479

> <plate>
PLATE 020

> <well>
A9

> <supplier_cmpd_name>
Chidamide

> <ctcr_id>
11196

> <supplier_cmpd_id>
T2025

> <smiles>
Nc1c(NC(=O)c2ccc(CNC(=O)/C=C/c3cnccc3)cc2)cc(F)cc1

> <pd_targets>
{KCNH2,HDAC1,HDAC6,HDAC2,HDAC10,HDAC11,HDAC3,HDAC4,HDAC5,HDAC7,HDAC8,HDAC9,NCOR1,NCOR2,NAMPT}

> <pathway_gtopdb>
{"Ion channel","Epigenetic regulator","Voltage-gated ion channel",Eraser,"Potassium channels","Histone deacetylase","Voltage-gated potassium channel","HDAC class I","HDAC class IIb",Enzyme,"HDAC class
 IV"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","Chromatin modifying enzymes","Potassium channels","3.5.1.- Histone deacetylases (HDACs)","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Muscle contraction",Disease,"Gene expression (Transcription)","Cardiac conduction","Disorders of Developmental Biology","RNA Polymerase II Transcription","Diseases of signal transduction by growth f
actor receptors and second messengers","Phase 3 - rapid repolarisation","Disorders of Nervous System Development","Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","Pervasive development
al disorders","Transcriptional regulation by RUNX2","Transcriptional Regulation by TP53","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Loss of function of MECP2 in Rett syndrome","RUNX2 regu
lates bone development","Regulation of TP53 Activity","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast differentiation",
"Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability to the NCoR/SMRT complex","Cell Cycle",Metabolism,Mitotic,"Metabolism of vitamins and cofactors","M Phase","Metabolism 
of water-soluble vitamins and cofactors","Mitotic Metaphase and Anaphase","Nicotinate metabolism","Mitotic Anaphase","Nicotinamide salvaging","Separation of Sister Chromatids"}

> <broad_targets>
{}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Chidamide,743420-02-2,743420022,HDAC-IN-7,HDACIN7,1883690-47-8,1883690478,CHEMBL4087968,UNII-462284YV3M,UNII462284YV3M,462284YV3M,Tucidinostat(Chidamide),"Tucidinostat (Chidamide)",SCHEMBL8057949,AOB
6858,EX-A2209,EXA2209,"Chidamide; CS055; HBI-8000","Chidamide; CS055; HBI8000",1671AH,BDBM50242817,HBI-8000;CS-055,HBI8000;CS055,MFCD1838212,T2025}

> <pdid>
PD021168

> <targets>
{HDAC1,HDAC2,HDAC3,HDAC8}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{9800555}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 N   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -6.4930   -3.7570    0.0000 C   0  0
   -7.8464   -3.1403    0.0000 N   0  0
   -8.8465   -4.2582    0.0000 N   0  0
   -8.0924   -5.5548    0.0000 N   0  0
   -6.6262   -5.2383    0.0000 N   0  0
   -8.6982   -6.9271    0.0000 C   0  0
    2.5987    1.5004    0.0000 N   0  0
    2.7343    2.9815    0.0000 C   0  0
    4.2010    3.2957    0.0000 C   0  0  1  0  0  0
    4.9530    1.9978    0.0000 O   0  0
    3.9511    0.8815    0.0000 C   0  0
    4.2566   -0.5870    0.0000 O   0  0
    4.8053    4.6666    0.0000 C   0  0
    3.9200    5.8775    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 14  2  0
 17 19  1  0
  2 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 24 25  2  0
 22 26  1  6
 26 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12480

> <plate>
PLATE 020

> <well>
A10

> <supplier_cmpd_name>
Torezolid

> <ctcr_id>
11197

> <supplier_cmpd_id>
T1747

> <smiles>
c1c(ccc(c1F)c1ccc(nc1)c1nnn(n1)C)N1C[C@@H](OC1=O)CO

> <pd_targets>
{MAOA,MAOB}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Catecholamine turnover"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Amine Oxidase reactions","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial 50S ribosomal subunit inhibitor"}

> <synonyms>
{Tedizolid,Torezolid,856866-72-3,856866723,TR-700,TR700,Sivextro,DA-7157,DA7157,"Da 7157",UNII-97HLQ82NGL,UNII97HLQ82NGL,"TR 700",CHEBI:82717,97HLQ82NGL,"Tedizolid (USAN:INN)","previously torezolid","
torezolid; Sivextro","Tedizolid (USAN/INN)",SCHEMBL440398,CHEMBL1257051,GTPL10865,DT,T1747}

> <pdid>
PD012720

> <targets>
{MAO-A,MAO-B}

> <classes>
{Metabolism}

> <pubchem_cids>
{11234049}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    1.2993   -3.7504    0.0000 C   0  0
    0.0007   -4.5008    0.0000 C   0  0
   -1.2993   -3.7521    0.0000 N   0  0
   -1.2993   -5.2529    0.0000 C   0  0
    0.0000   -6.0025    0.0000 O   0  0
   -2.5985   -6.0041    0.0000 C   0  0
   -2.7385   -7.4848    0.0000 O   0  0
   -4.2062   -7.7946    0.0000 C   0  0
   -4.8182   -9.1640    0.0000 C   0  0
   -4.9543   -6.4945    0.0000 N   0  0
   -3.9491   -5.3812    0.0000 N   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
  -10.3884   -1.5226    0.0000 F   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  2  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 15  2  0
  6 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 25  1  0
  5 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12481

> <plate>
PLATE 020

> <well>
A11

> <supplier_cmpd_name>
Raltegravir

> <ctcr_id>
2159

> <supplier_cmpd_id>
T2239L

> <smiles>
CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)O

> <pd_targets>
{POL,CCR1,GAG-POL,KCNE1,KCNQ1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel",Hydrolase,"Family A G protein-coupled receptor",Transferase,"Voltage-gated ion channel","Peptide receptor (family A GPCR)","Potassium channels","Chemokine rec
eptor","Voltage-gated potassium channel","CC chemokine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Chemokine receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by GPCR","Infectious disease","GPCR ligand binding","HIV Infection","Class A/1 (Rhodopsin-like receptors)","HIV Life Cycle","Peptide ligand-binding receptors"
,"Early Phase of HIV Life Cycle","Chemokine receptors bind chemokines","Integration of provirus","2-LTR circle formation"}

> <broad_targets>
{}

> <broad_moa>
{"HIV integrase inhibitor"}

> <synonyms>
{Raltegravir,518048-05-0,518048050,MK-0518,MK0518,"Raltegravir (MK-0518)","Raltegravir (MK0518)",UNII-22VKV8053U,UNII22VKV8053U,22VKV8053U,"MK 0518","518048-05-0 (free)","518048050 (free)",NCGC0018499
7-01,NCGC0018499701,DSSTox_CID_28586,DSSToxCID28586,DSSTox-CID-28586,"DSSTox CID 28586",DSSTox_RID_82857,DSSToxRID82857,DSSTox-RID-82857,"DSSTox RID 82857",DSSTox_GSID_48660,DSSToxGSID48660,DSSTox-GSI
D-48660,"DSSTox GSID 48660",Isentress(TM),"Raltegravir (INN)",CAS-518048-05-0,CAS518048050,Raltegrav,T2239L,S2005}

> <pdid>
PD009217

> <targets>
{Integrase}

> <classes>
{Microbiology}

> <pubchem_cids>
{54671008}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 22  0  0  0  0            999 V2000
    7.6943   -2.2615    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6982    0.7323    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    5.1937   -3.0093    0.0000 N   0  0
    2.5684   -4.5221    0.0000 C   0  0
    2.5677   -6.0221    0.0000 O   0  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  2 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 18 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12482

> <plate>
PLATE 020

> <well>
B2

> <supplier_cmpd_name>
Fingolimod hydrochloride

> <ctcr_id>
11198

> <supplier_cmpd_id>
T2539

> <smiles>
Cl.c1(ccc(cc1)CCCCCCCC)CCC(CO)(N)CO

> <pd_targets>
{S1PR3,TRPM7,S1PR5,S1PR1,S1PR4,SGPL1,S1PR2,KCNJ5,HDAC1}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel",Enzyme,"Epigenetic regulator","Family A G protein-coupled receptor","Voltage-gated ion channel",Lyase,Eraser,"Small molecule receptor (family A GPCR)","Transient rec
eptor potential channel","Potassium channels","Histone deacetylase","Lipid-like ligand receptor (family A GPCR)","Inwardly rectifying potassium channel","HDAC class I","EDG receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Sphingosine 1-phosphate turnover","Voltage-gated ion channels","Chromatin modifying enzymes","Lysophospholipid (
S1P) receptors",Atypical,"Sphingosine 1-phosphate lyase","Potassium channels","3.5.1.- Histone deacetylases (HDACs)","Alpha kinase family","Inwardly rectifying potassium channels","ChaK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Transport of small molecules",Metabolism,"Neuronal System",Disease,"Signaling by GPCR","Ion channel transport","Metabolism of lipids","Transmission across Chemical Synapses","D
isorders of Developmental Biology","GPCR ligand binding","Stimuli-sensing channels","Sphingolipid metabolism","Neurotransmitter receptors and postsynaptic signal transmission","Disorders of Nervous Sy
stem Development","Class A/1 (Rhodopsin-like receptors)","TRP channels","Sphingolipid de novo biosynthesis","GABA receptor activation","Pervasive developmental disorders","Lysosphingolipid and LPA rec
eptors","GABA B receptor activation","Loss of function of MECP2 in Rett syndrome","Activation of GABAB receptors","Loss of MECP2 binding ability to 5mC-DNA","Inhibition  of voltage gated Ca2+ channels
 via Gbeta/gamma subunits"}

> <broad_targets>
{S1PR1,S1PR5}

> <broad_moa>
{immunosuppressant,"sphingosine 1-phosphate receptor agonist"}

> <synonyms>
{"Fingolimod hydrochloride",162359-56-0,162359560,FTY720,"Fingolimod HCl",Gilenya,Gilenia,"Fty 720",Fty-720,Fty720,"Fingolimod (hydrochloride)","Fingolimod (FTY720) HCl","2-Amino-2-(4-octylphenethyl)p
ropane-1,3-diol hydrochloride","2Amino2(4octylphenethyl)propane1,3diol hydrochloride",2-Amino-2-(2-(,2Amino2(2(,T2539}

> <pdid>
PD003633

> <targets>
{S1P}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{107969}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    9.0983   -0.7368    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 S   0  0
    3.8964    0.7545    0.0000 O   0  0
    5.1966    0.0070    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4990   -0.7410    0.0000 O   0  0
   -7.8003   -1.4887    0.0000 C   0  0
   -9.0994   -0.7388    0.0000 N   0  0
  -10.3984   -1.4887    0.0000 C   0  0
  -10.3985   -2.9887    0.0000 C   0  0
  -11.6975   -3.7387    0.0000 Br  0  0
   -9.0994   -3.7388    0.0000 C   0  0
   -7.8004   -2.9888    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0072   -7.5009    0.0000 Br  0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
 13 25  2  0
 25  9  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12483

> <plate>
PLATE 020

> <well>
B3

> <supplier_cmpd_name>
Macitentan

> <ctcr_id>
6537

> <supplier_cmpd_id>
T2561

> <smiles>
CCCN[S](=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1c3ccc(Br)cc3

> <pd_targets>
{EDNRA,EDNRB}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Endothelin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Endothelin receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors"}

> <broad_targets>
{EDNRA,EDNRB}

> <broad_moa>
{"endothelin receptor antagonist"}

> <synonyms>
{Macitentan,441798-33-0,441798330,Opsumit,ACT-064992,ACT064992,"ACT 064992",UNII-Z9K9Y9WMVL,UNIIZ9K9Y9WMVL,Z9K9Y9WMVL,CHEBI:76607,Actelion-1,Actelion1,"Macitentan (USAN:INN)",macitentanum,"zlchem 5","
Opsumit (TN)",1258428-05-5,1258428055,"Macitentan (JAN/USAN)",(non-labelled)Macitentan-d7,(nonlabelled)Macitentand7,M,T2561,S8051}

> <pdid>
PD009165

> <targets>
{Endothelin Receptor,Apoptosis}

> <classes>
{GPCR & G Protein,Apoptosis,GPCR/G Protein}

> <pubchem_cids>
{16004692}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 Cl  0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -9.0967    3.7462    0.0000 O   0  0
   -9.0947    5.2462    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -3.8964   -0.7553    0.0000 C   0  0
   -5.1931   -1.5094    0.0000 C   0  0
   -5.1885   -3.0094    0.0000 C   0  0
   -3.8871   -3.7554    0.0000 C   0  0
   -3.8793   -5.2562    0.0000 O   0  0
   -2.5769   -6.0003    0.0000 C   0  0
   -2.5904   -3.0014    0.0000 C   0  0
   -2.5951   -1.5014    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
  9 11  2  3
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  2  0
 19 12  1  0
 11 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  2  0
 27 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12484

> <plate>
PLATE 020

> <well>
B4

> <supplier_cmpd_name>
Chlorotrianisene

> <ctcr_id>
6579

> <supplier_cmpd_id>
T2569

> <smiles>
COc1ccc(cc1)C(Cl)=C(c2ccc(OC)cc2)c3ccc(OC)cc3

> <pd_targets>
{CYP2C19,HIF1A,LMNA,TSHR,LEF,NPSR1,KDM4E,MAPT,HSD17B10,ALDH1A1,HPGD,ESR2,ESR1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other nuclear protein","Membrane receptor","Epigenetic regulator","Other cytosolic protein","Cytochrome P450","Family A G protein-coupled receptor",Protease,Eraser,Oxid
oreductase,"Nuclear receptor","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cysteine protease","Metallo protease","Lysine demethylase","Nuclear hormone receptor subfamily 3","Cytochro
me P450 family 2C","Glycohormone receptor","Cysteine protease CA clan","Metallo protease MAE clan","Short peptide receptor (family A GPCR)","Jumonji domain-containing","Nuclear hormone receptor subfam
ily 3 group A","Cytochrome P450 2C19","Cysteine protease C1A family","Metallo protease M34 family","Neuropeptide receptor","Nuclear hormone receptor subfamily 3 group A member 2","Nuclear hormone rece
ptor subfamily 3 group A member 1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Chromatin modifying enzymes","Eicosanoid turnover","Nuclear hormone receptors","CYP2 family: drug metabolising subset","Glycoprotein
 hormone receptors","Neuropeptide S receptor","1.14.11.- Histone demethylases","Prostaglandin synthases","Steroid hormone receptors","3A. Estrogen receptors"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Cell Cycle",Disease,"Neuronal System","Signal Transduction","Gene expression (Transcription)","Biological oxidations","Cellular responses to stres
s",Mitotic,"Infectious disease","Transmission across Chemical Synapses","Metabolism of amino acids and derivatives","Metabolism of lipids","Intracellular signaling by second messengers","RNA Polymeras
e II Transcription","Phase I - Functionalization of compounds","Cellular response to hypoxia","M Phase","Leishmania infection","Uptake and actions of bacterial toxins","Neurotransmitter receptors and 
postsynaptic signal transmission","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","PIP3 activates AKT signaling","Generic Transcription Pathway","Cyt
ochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Uptake
 and function of anthrax toxins","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Negative regulation of the PI3K/AKT network","Transcript
ional regulation by RUNX1",Xenobiotics,"Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Biosynthesis of D-series resolvin
s",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","RUNX1 regulates estrogen receptor mediated transcription","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory
 cytokines production","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ESR1,ESR2}

> <broad_moa>
{"estrogenic hormone"}

> <synonyms>
{chlorotrianisene,569-57-3,569573,Chlortrianizen,Chlortrianisestrol,TACE,Chlorotrianisine,Chlorestrolo,Chlorotrianizen,Chlortrianisen,Chloortrianisestrol,Clorotrisin,Hormonisene,Khlortrianizen,Clorest
rolo,Merbentul,Anisene,Metace,Rianil,Chlortrianisoestrolu,T2569,S4629,1500181,Prestw-757,Chlorotrianisene,CHLOROTRIANISENE}

> <pdid>
PD009120

> <targets>
{Estrogen/progestogen Receptor,COX,Estrogen Receptor/ERR}

> <classes>
{Endocrinology & Hormones,estrogen,Immunology/Inflammation,Others}

> <pubchem_cids>
{11289}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -3.8976    0.7553    0.0000 O   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8934    5.2570    0.0000 C   0  0
   -5.1924    6.0070    0.0000 C   0  0
   -6.4915    5.2571    0.0000 C   0  0
   -7.7905    6.0071    0.0000 Cl  0  0
   -6.4915    3.7571    0.0000 C   0  0
   -5.1925    3.0070    0.0000 C   0  0
   -7.7912    3.0067    0.0000 C   0  0
   -9.0915    3.7546    0.0000 C   0  0
  -10.3894    3.0026    0.0000 C   0  0
  -10.3870    1.5026    0.0000 C   0  0
   -9.0868    0.7546    0.0000 C   0  0
   -7.7890    1.5067    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11  5  1  0
  8 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12485

> <plate>
PLATE 020

> <well>
B5

> <supplier_cmpd_name>
Vismodegib

> <ctcr_id>
5334

> <supplier_cmpd_id>
T2590

> <smiles>
C[S](=O)(=O)c1ccc(c(Cl)c1)C(=O)Nc2ccc(Cl)c(c2)c3ccccn3

> <pd_targets>
{ALB,SMO,SHH}

> <pathway_gtopdb>
{"Secreted protein","Membrane receptor","Unclassified protein","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{Metabolism,"Organelle biogenesis and maintenance",Disease,"Metabolism of lipids","Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of st
eroids","Cargo trafficking to the periciliary membrane","Hh mutants abrogate ligand secretion","Bile acid and bile salt metabolism","BBSome-mediated cargo-targeting to cilium","HHAT G278V doesn't palm
itoylate Hh-Np","Recycling of bile acids and salts"}

> <broad_targets>
{SMO}

> <broad_moa>
{"hedgehog pathway inhibitor","smoothened receptor antagonist"}

> <synonyms>
{DC044,Vismodegib,879085-55-9,879085559,GDC-0449,GDC0449,Erivedge,2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide,2chloroN(4chloro3(pyridin2yl)phenyl)4(methylsulfonyl)benzamid
e,"Vismodegib (GDC-0449)","Vismodegib (GDC0449)",HhAntag691,"GDC 0449","GDC-0449 (Vismodegib)","GDC0449 (Vismodegib)",UNII-25X868M3DS,UNII25X868M3DS,NSC-747691,NSC747691,2-Chloro-N-(4-chloro-3-(2-p,2C
hloroN(4chloro3(2p,T2590,755986,S1082,"NSC 755986"}

> <pdid>
PD004109

> <targets>
{Hedgehog,P-gp,Hedgehog Signaling Pathway,Autophagy}

> <classes>
{Smoothened Receptor Antagonist,Neuronal Signaling,Autophagy,Stem Cell/Wnt}

> <pubchem_cids>
{24776445}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 O   0  0
    1.2960    5.2539    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
   -0.0108    7.4995    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    1.5920    9.7216    0.0000 N   0  0
    3.0832    9.8835    0.0000 C   0  0
    3.8287   11.1851    0.0000 C   0  0
    3.6981    8.5153    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    2.5924    6.0085    0.0000 C   0  0
    3.8941    5.2631    0.0000 F   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.8244   -8.3594    0.0000 C   0  0
   -3.3609   -9.7860    0.0000 C   0  0
   -1.8609   -9.7860    0.0000 C   0  0
   -1.3973   -8.3594    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
 17  8  1  0
 17 18  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  5  1  0
 22 23  1  0
 23 24  2  0
 24  3  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12486

> <plate>
PLATE 020

> <well>
B6

> <supplier_cmpd_name>
Cediranib

> <ctcr_id>
625

> <supplier_cmpd_id>
T2500

> <smiles>
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN5CCCC5

> <pd_targets>
{KDR,BTK,MET,EGFR,GAK,SRC,PRKD2,STK26,DDR1,HCK,MAP4K1,MERTK,MAP4K3,ERBB2,ERN1,CSNK1E,ABL1,PDGFRB,MAP3K19,MAP4K4,DDR2,EPHA3,YES1,PTK6,PLK4,TYRO3,FGFR1,RIPK2,MAP4K2,KIT,FER,PDGFRA,SLK,BLK,ERBB4,AURKB,CS
F1R,EPHA1,LCK,TIE1,SIK2,MAPK14,LTK,TAOK3,FRK,RET,MAP2K2,MAP2K5,FGFR2,STK35,ACVR1B,AXL,EIF2AK1,FLT1,LYN,FYN,FGR,TGFBR1,FGFR3,FLT3,FLT4,MAP4K5,EPHA6,ACVR1,CHEK2,MINK1,MST1R,ABL2,EPHA8,TEK,CAMK2B,ALK,EPH
B4,EPHB6,AURKC,TNIK,TAOK2,EPHA7,STK33,FGFR4,STK3,STK4,ERBB3,SYK,STK10,TAOK1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Transferase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CAMK protein kinase group","STE protein kinase group","CK1 protein kinase gro
up","TKL protein kinase group","CMGC protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Met family","Tyrosine protein kinase EGF
R family","Other protein kinase NAK family","Tyrosine protein kinase Src family","CAMK protein kinase PKD family","STE protein kinase STE20 family","Tyrosine protein kinase DDR family","Tyrosine prote
in kinase Axl family","CK1 protein kinase CK1 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","STE protein kinase STE11 family","Tyrosine protein kinase Eph family"
,"Other protein kinase PLK family","Tyrosine protein kinase FGFR family","TKL protein kinase RIPK family","Tyrosine protein kinase Fer family","Other protein kinase AUR family","Tyrosine protein kinas
e Tie family","CAMK protein kinase CAMK1 family","CMGC protein kinase MAPK family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Ret family","STE protein kinase STE7 family","Other pro
tein kinase NKF4 family","TKL protein kinase STKR family","Other protein kinase PEK family","CAMK protein kinase RAD53 family","CAMK protein kinase CAMK2 family","CAMK protein kinase unique family","T
yrosine protein kinase Syk family","STE protein kinase YSK subfamily","STE protein kinase KHS subfamily","STE protein kinase MSN subfamily","STE protein kinase SLK subfamily","CAMK protein kinase QIK 
subfamily","CMGC protein kinase p38 subfamily","STE protein kinase TAO subfamily","TKL protein kinase STKR Type 1 subfamily","Other protein kinase HRI","Tyrosine protein kinase SrcA","TKL protein kina
se STKR1","STE protein kinase MST subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kina
ses","CK1: Casein kinase 1","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Other protein kinases","Protein kinase D (PKD) family","STE20 family","Casein kinase 1 (CK1) family",
"TKL: Tyrosine kinase-like","CAMK-like (CAMKL) family","Mitogen-activated protein kinases (MAP kinases)","STE7 family","CAMK2 family","CAMK-unique family","Receptor tyrosine kinases (RTKs)","Non-recep
tor tyrosine kinases (nRTKs)","Numb-associated kinase (NAK) family","YSK subfamily","KHS subfamily","IRE family","STE20 subfamily","MSN subfamily","Polo-like kinase (PLK) family","Receptor interacting
 protein kinase (RIPK) family","SLK subfamily","Aurora kinase (Aur) family","QIK subfamily","p38 subfamily","TAO subfamily","NKF4 family","Receptor serine/threonine kinase (RSTK) family","PEK family",
"CHK1 subfamily","MST subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Tec family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type I RTKs: ErbB
 (epidermal growth factor) receptor family","Src family","Type XVI RTKs: DDR (collagen receptor) family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Abl family","Type III RTKs: PDG
FR",CSFR,Kit,"FLT3 receptor family","Type XIII RTKs: Ephrin receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Fer family","Type XII RTKs: TIE family of angiopoietin recep
tors","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIV RTKs: RET","Type I receptor serine/threonine kinases","Other PEK family kinases","Syk family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Vesicle-mediated transport",Metabolism,"Programmed Cell Death","Extracellular matrix organization",Hemostasis,"Metabolism of proteins","Cell Cyc
le","Cellular responses to external stimuli","Immune System","Gene expression (Transcription)","Neuronal System","Signaling by Receptor Tyrosine Kinases","Infectious disease","Nervous system developme
nt","Signaling by GPCR","Membrane Trafficking","Metabolism of lipids",Apoptosis,"Non-integrin membrane-ECM interactions","Cell surface interactions at the vascular wall","Unfolded Protein Response (UP
R)",Mitotic,"Intracellular signaling by second messengers","Cellular responses to stress","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","RNA
 Polymerase II Transcription","Transmission across Chemical Synapses","Signaling by NODAL","MAPK family signaling cascades","Signaling by Hippo","Signaling by VEGF","Leishmania infection","Axon guidan
ce","GPCR downstream signalling","trans-Golgi Network Vesicle Budding","Signaling by NTRKs","Sphingolipid metabolism","Apoptotic execution phase","HIV Infection","IRE1alpha activates chaperones","Mito
tic G2-G2/M phases","PIP3 activates AKT signaling","Cellular Senescence","Mitotic G1 phase and G1/S transition","Signaling by FGFR in disease","Toll-like Receptor Cascades","Signaling by KIT in diseas
e","Signaling by SCF-KIT","Signaling by PDGFR in disease","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Regulation of signaling by NODAL"
,"Response of EIF2AK1 (HRI) to heme deficiency","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by Insulin receptor","Signaling by MST1","MAPK1/MAPK3 signaling","Signaling by FGFR","Neut
rophil degranulation","VEGFA-VEGFR2 Pathway","Parasite infection","Semaphorin interactions","G alpha (q) signalling events","Golgi Associated Vesicle Biogenesis","Signaling by NTRK1 (TRKA)","Sphingoli
pid de novo biosynthesis","Apoptotic cleavage of cellular proteins","Host Interactions of HIV factors","G2/M Transition","Negative regulation of the PI3K/AKT network","Oxidative Stress Induced Senesce
nce","EPH-Ephrin signaling","Leishmania parasite growth and survival","G1 Phase","Signaling by FGFR1 in disease","Toll Like Receptor 5 (TLR5) Cascade","Drug resistance of KIT mutants","Drug resistance
 of PDGFR mutants","Transcriptional regulation by RUNX1","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Transcriptional Regulation by VENTX","PTEN Regulation"
,"RET signaling","Signaling by FGFR2 in disease","VEGF ligand-receptor interactions","Loss of Function of SMAD2/3 in Cancer","Signaling by FGFR3 in disease","Insulin receptor signalling cascade","Tran
scriptional Regulation by TP53","Signaling by ROBO receptors","RAF/MAP kinase cascade","Signaling by FGFR4","VEGFR2 mediated cell proliferation","Leishmania phagocytosis","Sema4D in semaphorin signali
ng","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","Centrosome maturation",PI5P,"PP2A and IER3 Regulate PI3K/AK
T Signaling","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania parasite infection","Cyclin D associated events in G1","FGFR1 mutant receptor activation","MyD88 casc
ade initiated on plasma membrane","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Post NMDA receptor activation
 events","Mitotic Anaphase","Regulation of PTEN stability and activity","Signalling to ERK5","FGFR2 mutant receptor activation","VEGF binds to VEGFR leading to receptor dimerization","SMAD2/3 Phosphor
ylation Motif Mutants in Cancer","Signaling by FGFR3 point mutants in cancer","IRS-mediated signalling","Regulation of TP53 Activity","Role of ABL in ROBO-SLIT signaling","EPHB-mediated forward signal
ing","Downstream signaling of activated FGFR4","FCGR3A-mediated phagocytosis","Sema4D mediated inhibition of cell attachment and migration","EGFR Transactivation by Gastrin","Signalling to RAS","Nef a
nd signal transduction","Sema4D induced cell migration and growth-cone collapse","Loss of proteins required for interphase microtubule organization from the centrosome","FCGR3A-mediated IL10 synthesis
","Signaling by activated point mutants of FGFR1","MAP kinase activation","Long-term potentiation","Separation of Sister Chromatids","Nef-mediates down modulation of cell surface receptors by recruiti
ng them to clathrin adapters","Prolonged ERK activation events","Activated point mutants of FGFR2","FGFR3 mutant receptor activation","PI3K Cascade","Regulation of TP53 Expression and Degradation","CR
EB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FRS-mediated FGFR4 signaling","p38MAPK events","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK
 activation","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediated by MAP kinases","Frs2-mediated activation","Signaling by activated point mutants of FGFR3","Regulation of TP53 De
gradation","Ras activation upon Ca2+ influx through NMDA receptor","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{CSF1R,FLT1,FLT3,FLT4,KDR,KIT,PDGFRA,PDGFRB}

> <broad_moa>
{"KIT inhibitor","VEGFR inhibitor"}

> <synonyms>
{Cediranib,288383-20-0,288383200,"288383 20 0",Recentin,AZD2171,Cedirannib,"Cediranib (AZD2171)","AZD 2171",AZD-2171,"Cediranib (AZD217)",UNII-NQU9IPY4K9,UNIINQU9IPY4K9,"UNII NQU9IPY4K9","Cediranib fr
ee base",NQU9IPY4K9,ZD-2171,ZD2171,"ZD 2171","AZD-2171 maleate","AZD2171 maleate","AZD 2171 maleate",CHEMBL491473,"288383-20-0 (free base)","288383200 (free base)","288383 20 0 (free base)",NSC-732208
,NSC732208,"NSC 732208",C25H27,T2500,S1017,cediranib,Cediranib(AZD2171),CEDIRANIB}

> <pdid>
PD003639

> <targets>
{VEGFR-PDGFR,"VEGFR Inhibitors"}

> <classes>
{}

> <pubchem_cids>
{9933475}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
    1.2946    3.7547    0.0000 C   0  0
    2.5943    3.0056    0.0000 C   0  0
    3.8928    3.7565    0.0000 C   0  0
    3.8918    5.2565    0.0000 C   0  0
    5.1903    6.0074    0.0000 Br  0  0
    2.5923    6.0056    0.0000 C   0  0
    1.2937    5.2548    0.0000 C   0  0
   -0.0058    6.0039    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0983    0.7368    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
  8 18  2  0
 18 19  1  0
 19 20  2  0
 20  2  1  0
 20  5  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12487

> <plate>
PLATE 020

> <well>
B7

> <supplier_cmpd_name>
Binimetinib

> <ctcr_id>
2560

> <supplier_cmpd_id>
T2508

> <smiles>
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

> <pd_targets>
{EGFR,MAP2K1,MAP2K2,MAP3K1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","Tyrosine protein kinase EGFR family","STE protein kinase STE7 family","STE protein kinase STE11 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","TK: Tyrosine kinase","STE7 family","Receptor ty
rosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","STE11 family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","GPCR downstream signalling","Signaling by NTRKs","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","Gastr
in-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","EGFR Transactivation by Gastrin","Prolonged ERK activation events","Frs2-mediated activation","Immune System","Innate Immune System",
"Toll-like Receptor Cascades","Toll Like Receptor 2 (TLR2) Cascade","Toll Like Receptor TLR6:TLR2 Cascade","MyD88:MAL(TIRAP) cascade initiated on plasma membrane"}

> <broad_targets>
{MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Selumetinib,606143-52-6,606143526,AZD6244,"AZD 6244",ARRY-142886,ARRY142886,AZD-6244,"Selumetinib (AZD6244)","ARRY 142886","AZD6244 (Selumetinib)",ARRY-886,ARRY886,UNII-6UH91I579U,UNII6UH91I579U,CHEM
BL1614701,CHEBI:90227,6UH91I579U,NCGC00189073-01,NCGC0018907301,NCGC00189073-02,NCGC0018907302,C17H15BrClFN4O,T2508,T6218,S1008,Binimetinib,AZD6244(Selumetinib)}

> <pdid>
PD003249

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{10127622}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  1  0            999 V2000
   12.5445   -3.4946    0.0000 Cl  0  5
    4.2066   -8.4888    0.0000 C   0  0
    5.3273   -7.4917    0.0000 C   0  0
    6.7945   -7.8036    0.0000 C   0  0
    7.5445   -6.5046    0.0000 C   0  0
    6.5408   -5.3899    0.0000 S   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 O   0  0
    2.5902   -6.0059    0.0000 C   0  0
    2.4517   -7.4867    0.0000 S   0  0
    0.9844   -7.7980    0.0000 C   0  0
    0.2349   -6.4987    0.0000 C   0  0
    1.2390   -5.3844    0.0000 C   0  0
    0.9364   -3.9152    0.0000 C   0  0
   10.0445   -3.4946    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  3  2  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 16 18  1  6
 18 19  1  0
 18 20  2  0
  8 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 21  2  0
 25 26  1  0
M  CHG  2   1  -1  27   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12488

> <plate>
PLATE 020

> <well>
B8

> <supplier_cmpd_name>
Tiagabine

> <ctcr_id>
345

> <supplier_cmpd_id>
T2407

> <smiles>
[Cl-].Cc1ccsc1C(=CCCN2CCC[C@H](C2)C(O)=O)c3sccc3C.[H+]

> <pd_targets>
{SLC6A1,SLC6A12}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC06 neurotransmitter transporter family"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC6 neurotransmitter transporter family","GABA transporter subfamily"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter release cycle","GABA synthesis",release,"reuptake and degradation","Reuptake of GABA"}

> <broad_targets>
{SLC6A1}

> <broad_moa>
{"GABA uptake inhibitor"}

> <synonyms>
{"Tiagabine hydrochloride",145821-59-6,145821596,"145821 59 6","TIAGABINE HCl",Gabitril,"Abbott 70569.HCl",NNC-05-0328,NNC050328,"NNC 05 0328","Tiagabine (hydrochloride)",UNII-DQH6T6D8OY,UNIIDQH6T6D8O
Y,"UNII DQH6T6D8OY",Abbott-70569.1,Abbott70569.1,"Abbott 70569.1",NO-05-0328,NO050328,"NO 05 0328",DQH6T6D8OY,ABT-569,ABT569,"ABT 569",ABBOTT-70569.HCL,ABBOTT70569.HCL,"ABBOTT 70569.HCL",CHEBI:85388,M
FCD07369025,"Gabitril (TN)",T2407,SAM001246625,Tiagabine,CPD000469176}

> <pdid>
PD009653

> <targets>
{GABA Receptor}

> <classes>
{Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{91274,74765398}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  4  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 O   0  5
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.8993    0.7496    0.0000 O   0  0
    2.6000   -1.5000    0.0000 O   0  5
   11.4000   -0.3754    0.0000 Pt  0  2
    8.9000   -0.3754    0.0000 N   0  0
    6.4000   -0.3754    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  CHG  3   1  -1   5  -1   6   2
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12489

> <plate>
PLATE 020

> <well>
B9

> <supplier_cmpd_name>
Nedaplatin

> <ctcr_id>
11199

> <supplier_cmpd_id>
T2410

> <smiles>
[O-]CC(=O)[O-].[Pt+2].N.N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Nedaplatin,95734-82-0,95734820,UNII-8UQ3W6JXAN,UNII8UQ3W6JXAN,"(GLYCOLATO-O,O')DIAMMINE PLATINUM(II)","(GLYCOLATOO,O')DIAMMINE PLATINUM(II)",8UQ3W6JXAN,(SP-4-3)-Diammine(2-(hydroxy-|EO)acetato(2-)-|E
O)platinum,(SP43)Diammine(2(hydroxy|EO)acetato(2)|EO)platinum,azane;2-oxidoacetate;platinum(2+),azane;2oxidoacetate;platinum(2+),MFCD00866374,AK546896,AS-14828,AS14828,AB0073095,33951-EP2272827A1,3395
1EP2272827A1,3395,T2410}

> <pdid>

> <targets>
{"DNA synthesis"}

> <classes>
{"DNA Damage/DNA Repair"}

> <pubchem_cids>
{9796440}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
   10.3978   -2.9944    0.0000 C   0  0
    9.0983   -3.7436    0.0000 C   0  0
    9.0978   -5.2436    0.0000 C   0  0
   10.3970   -4.4942    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    6.4995   -5.2432    0.0000 O   0  0
    6.4994    0.7576    0.0000 C   0  0
    7.7980    1.5084    0.0000 C   0  0
    5.2001    1.5072    0.0000 C   0  0
    6.4987    2.2576    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 12  1  0
 21 22  2  0
  8 23  1  0
 23 24  2  0
 24  5  1  0
 24 25  1  0
  7 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12490

> <plate>
PLATE 020

> <well>
B10

> <supplier_cmpd_name>
Ivacaftor

> <ctcr_id>
5652

> <supplier_cmpd_id>
T2588

> <smiles>
CC(C)(C)c1cc(c(NC(=O)C2=CNc3ccccc3C2=O)cc1O)C(C)(C)C

> <pd_targets>
{REP,CFTR}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transferase,"Other ion channel","Chloride channel","Cystic fibrosis transmembrane conductance regulator"}

> <pathway_chembl>
{"Other protein targets","Ion channels","Anti-infective targets","Other ion channels","Viral protein targets","Chloride channels","Coronavirus (CoV) proteins",CFTR}

> <pathway_reactome>
{Disease,Autophagy,"Infectious disease",Macroautophagy,"SARS-CoV Infections","Selective autophagy","SARS-CoV-2 Infection",Aggrephagy,"SARS-CoV-2 Genome Replication and Transcription","Replication of t
he SARS-CoV-2 genome"}

> <broad_targets>
{CFTR}

> <broad_moa>
{"CFTR channel potentiator"}

> <synonyms>
{"VACAFTOR (VX770","VACAFTOR (VX 770",Ivacaftor,873054-44-5,873054445,"873054 44 5",VX-770,VX770,"VX 770",Kalydeco,"Ivacaftor (VX-770)","Ivacaftor (VX770)","Ivacaftor (VX 770)",UNII-1Y740ILL1Z,UNII1Y7
40ILL1Z,"UNII 1Y740ILL1Z",CHEBI:669,T2588,S1144}

> <pdid>
PD009194

> <targets>
{CFTR,Autophagy}

> <classes>
{Transmembrane Transporters,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{16220172}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0  1  0  0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 C   0  0
   -0.7537    5.2860    0.0000 C   0  0
   -1.2149    3.8587    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13  2  1  0
 13 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12491

> <plate>
PLATE 020

> <well>
B11

> <supplier_cmpd_name>
Tegafur

> <ctcr_id>
735

> <supplier_cmpd_id>
T1378

> <smiles>
FC1=CN([C@H]2CCCO2)C(=O)NC1=O

> <pd_targets>
{RORC,MAPT,LMNA,AMPC,TYMS}

> <pathway_gtopdb>
{"Transcription factor","Other cytosolic protein","Other nuclear protein",Enzyme,"Nuclear receptor",Hydrolase,Transferase,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 g
roup F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","2.1.1.- Methyltransferases","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System","Cell Cycle","RNA Polymerase II Transcription","Transmission across Chemical Synapses",Mitotic,"Generic Transcription Pathway","Neurotransmitter re
ceptors and postsynaptic signal transmission","M Phase","Mitotic G1 phase and G1/S transition","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Mitotic Met
aphase and Anaphase","G1/S Transition","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","Mitotic Anaphase","G1/S-Specific Transcription","Activation of AMPK 
downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TYMS}

> <broad_moa>
{"thymidylate synthase inhibitor"}

> <synonyms>
{(R)-Tegafur,(R)Tegafur,37076-68-9,37076689,UNII-5317337V7V,UNII5317337V7V,CHEMBL235993,NSC148958,5317337V7V,"2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-","2,4(1H,3H)Pyrimidin
edione, 5fluoro1(tetrahydro2furanyl), (R)",(R)-Ftorafur,(R)Ftorafur,"Ftorafur, (R)-","Ftorafur, (R)","Tegafur, (R)-","Tegafur, (R)",C8H9FN2O3,5-fluoro-1-((2R)-2-oxolanyl)pyrimidine-2,5fluoro1((2R)2oxo
lanyl)pyrimidine2,T1378,"NSC 148958",Tegafur,"FT 207"}

> <pdid>
PD002985

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{288216}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
   -9.1025   -0.7622    0.0000 C   0  0
   -7.8048   -1.5144    0.0000 O   0  0
  -10.4026   -1.5103    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
  6 21  1  0
 21 22  2  0
 22  3  1  0
 22 23  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12492

> <plate>
PLATE 020

> <well>
C2

> <supplier_cmpd_name>
Trans-Tranilast

> <ctcr_id>
4380

> <supplier_cmpd_id>
T2270

> <smiles>
COc1ccc(/C=C/C(=O)Nc2ccccc2C(O)=O)cc1OC

> <pd_targets>
{HPGDS,KDM4E,RAB9A,RORC,PKM,NPC1,TP53,PYK,HIF1A,MAPK1,NFKB1,ALOX12,APEX1,THPO,NPSR1,KMT2A,MEN1,CYP3A4,ALDH1A1,NS1,HPGD,CHRM1,PMP22,ABCC4,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor",Transporter,"Other cytosolic protein","Unclassified protein","Membrane receptor",Transferase,Eraser,Hydrolase,"Nuclear receptor",Kinase,"Family A 
G protein-coupled receptor",Reader,"Cytochrome P450",Oxidoreductase,"Primary active transporter","Lysine demethylase","Nuclear hormone receptor subfamily 1","Protein Kinase","Peptide receptor (family 
A GPCR)",Bromodomain,"Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","ATP-binding cassette","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","CMGC protei
n kinase group","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Monoamine receptor","ABCC subfamily","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member 3","CMG
C protein kinase MAPK family","Neuropeptide receptor","Cytochrome P450 3A4","Acetylcholine receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Eicosanoid turnover","Chromatin modifying enzymes","Nuclear hormone receptors","2.7.1.40 Pyruvate kinases","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)",
"G protein-coupled receptors","Cytochrome P450","ATP-binding cassette transporter family","Prostaglandin synthases","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","SLC65 NPC-type
 cholesterol transporters","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"Neuropeptide S receptor","2.1.1.43 Histone methyltransferases (HMTs)","CYP3 family","Acetylcholine receptors (
muscarinic)","ABCC subfamily","ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Gene expression (Transcription)","Transport of small molecules","Cell Cycle","Cellular responses to external stimuli","Immune System","DNA Repair",Hemostasis,Disease
,"Developmental Biology","Metabolism of lipids","Signaling by Rho GTPases","RNA Polymerase II Transcription","Metabolism of carbohydrates","Plasma lipoprotein assembly",remodeling,"and clearance","Cel
l Cycle Checkpoints","Cellular responses to stress","Innate Immune System","Cytokine Signaling in Immune system","Base Excision Repair","Platelet activation","signaling and aggregation","Infectious di
sease","Biological oxidations","Signaling by GPCR","Nervous system development","Fatty acid metabolism","Rho GTPase cycle","Generic Transcription Pathway","Glucose metabolism","Plasma lipoprotein clea
rance","G1/S DNA Damage Checkpoints","Cellular response to hypoxia","Toll-like Receptor Cascades","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","Resolution of
 Abasic Sites (AP sites)","Platelet Aggregation (Plug Formation)","Leishmania infection","Phase I - Functionalization of compounds","GPCR ligand binding","EGR2 and SOX10-mediated initiation of Schwann
 cell myelination","Response to elevated platelet cytosolic Ca2+","Metabolism of steroids","Arachidonic acid metabolism","RHOBTB GTPase Cycle","Transcriptional regulation by RUNX3",Glycolysis,"LDL cle
arance","p53-Dependent G1/S DNA damage checkpoint","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Toll Like Receptor 5 (TLR5) Cascade","Interleukin-1 family signaling","Bi
osynthesis of DPA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Leishmania parasite growth and survival","Transcriptional regulation by RUNX1","Biosynth
esis of DHA-derived SPMs","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Platelet degranulation","Bile acid and bile salt metabolism","Synthesis of Prostaglandins (PG) and Thromboxanes (T
X)","RHOBTB3 ATPase cycle","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane","Interleukin-1 signaling","Biosynthe
sis of DPAn-3 SPMs","PCNA-Dependent Long Patch Base Excision Repair","Anti-inflammatory response favouring Leishmania parasite infection","RUNX1 regulates genes involved in megakaryocyte differentiati
on and platelet function","Biosynthesis of maresins","Biosynthesis of D-series resolvins","Amine ligand-binding receptors","Synthesis of bile acids and bile salts","Stabilization of p53","MAP kinase a
ctivation","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived maresins","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Muscari
nic acetylcholine receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kina
ses","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{HPGDS,HRH1}

> <broad_moa>
{"angiogenesis inhibitor"}

> <synonyms>
{RESTW119,NCGC00018185-05,NCGC0001818505,SMR000058373,"2-((3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl)amino)benzoic Acid","2((3(3,4Dimethoxyphenyl)1oxo2propenyl)amino)benzoic Acid",tranilast,53902-12-8,
53902128,Rizaben,trans-Tranilast,transTranilast,Tranilastum,70806-55-2,70806552,"MK 341","N-(3,4-Dimethoxycinnamoyl)anthranilic acid","N(3,4Dimethoxycinnamoyl)anthranilic acid",UNII-HVF50SMY6E,UNIIHVF
50SMY6E,SB-252218,SB252218,T2270,T2690,SAM001246737,Prestw-1198,Trans-Tranilast,Tranilast,CPD000058373}

> <pdid>
PD000929

> <targets>
{Angiotensin Receptor,Prostaglandin Receptor}

> <classes>
{GPCR/G Protein}

> <pubchem_cids>
{5282230}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    1.4884   -5.7620    0.0000 O   0  5
    2.9122   -6.2341    0.0000 N   0  3
    3.2149   -7.7032    0.0000 O   0  0
    4.0312   -5.2378    0.0000 C   0  0
    5.4984   -5.5497    0.0000 C   0  0
    6.2484   -4.2507    0.0000 N   0  0
    5.2447   -3.1359    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  4  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12493

> <plate>
PLATE 020

> <well>
C3

> <supplier_cmpd_name>
Nimorazole

> <ctcr_id>
11200

> <supplier_cmpd_id>
T2046

> <smiles>
[O-][N+](=O)C1=CN=CN1CCN1CCOCC1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA inhibitor"}

> <synonyms>
{Nimorazole,6506-37-2,6506372,Nitrimidazine,Nimorazol,Naxogin,Nulogyl,Esclama,Naxofem,Acterol,"Acterol forte",Nimorazolo,4-(2-(5-Nitro-1H-imidazol-1-yl)ethyl)morpholine,4(2(5Nitro1Himidazol1yl)ethyl)m
orpholine,Sirledi,4-(2-(5-Nitroimidazol-1-yl)ethyl)morpholine,4(2(5Nitroimidazol1yl)ethyl)morpholine,K-1900,K1900,N-2-Morpholinoethyl-5-nit,N2Morpholinoethyl5nit,T2046}

> <pdid>
PD073581

> <targets>
{Antiparasitic}

> <classes>
{Others}

> <pubchem_cids>
{23009}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.6177   -1.4570    0.0000 C   0  0
   -5.8657   -2.7548    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    2.6005   -2.9949    0.0000 C   0  0
    3.9021   -3.7404    0.0000 C   0  0
    3.9073   -5.2404    0.0000 C   0  0
    5.2089   -5.9859    0.0000 I   0  0
    2.6108   -5.9949    0.0000 C   0  0
    1.3092   -5.2494    0.0000 C   0  0
    0.0128   -6.0039    0.0000 F   0  0
   -2.5981    3.0007    0.0000 C   0  0
   -1.3003    3.7529    0.0000 C   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -2.6029    6.0009    0.0000 C   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -5.2032    5.9944    0.0000 N   0  0
   -6.5007    5.2401    0.0000 C   0  0
   -6.4957    3.7401    0.0000 C   0  0
   -7.8025    5.9854    0.0000 O   0  0
   -3.8983    3.7488    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 11  1  0
 10 14  1  0
 14 15  2  0
 14 16  1  0
 16  6  1  0
 16 17  2  3
 17  2  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
  7 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 31 36  2  0
 36 27  1  0
  5 37  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12494

> <plate>
PLATE 020

> <well>
C4

> <supplier_cmpd_name>
Trametinib

> <ctcr_id>
311

> <supplier_cmpd_id>
T2125

> <smiles>
CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(C)=O)c5)C

> <pd_targets>
{MAP2K1,MAP2K2,ABCB1,BRAF}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Primary active transporter","Protein Kinase","ATP-binding cassette","STE protein kinase group","ABCB subfamily","TKL protein kinase group","STE protein kinase STE7 family",
"TKL protein kinase RAF family"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Catalytic receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","ABCB subfam
ily","Receptor kinases","STE7 family","TKL: Tyrosine kinase-like","RAF family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by Receptor Tyrosine Kinases","Abacavir transport and metabolism","Signaling by NTRKs","Abacavir transmembrane transport","Signaling by NTRK1 (TRKA)","Sign
alling to ERKs","Prolonged ERK activation events","Frs2-mediated activation","ARMS-mediated activation"}

> <broad_targets>
{MAP2K1,MAP2K2}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Trametinib,871700-17-3,871700173,GSK1120212,Mekinist,GSK-1120212,"JTP 74057",JTP-74057,JTP74057,"GSK 1120212","Trametinib (GSK1120212)",GSK212,UNII-33E86K87QN,UNII33E86K87QN,TMT212,CHEBI:75998,TMT-21
2,33E86K87QN,"Trametinib (USAN:INN)",trametinibum,QOM,"Trametinib (USAN)",T2125,758246,S2673,trametinib,"GSK1120212 (Trametinib)"}

> <pdid>
PD003250

> <targets>
{MEK}

> <classes>
{MAPK,"Kinase inhibitor"}

> <pubchem_cids>
{11707110}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    9.9949    2.8884    0.0000 C   0  0
    9.3803    1.5201    0.0000 C   0  0
    7.8873    1.3671    0.0000 S   0  0
    7.0092    2.5832    0.0000 O   0  0
    8.5012    2.7357    0.0000 O   0  0
    7.2749    0.0036    0.0000 N   0  0
    5.8727   -0.5294    0.0000 C   0  0
    6.4440   -1.8462    0.0000 C   0  0
    7.3224   -3.0632    0.0000 C   0  0
    8.8156   -2.9119    0.0000 C   0  0
   10.3080   -2.7606    0.0000 N   0  0
    7.8079   -1.3985    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  3  0
  8 12  1  0
 12  6  1  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 18  1  0
 26 22  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12495

> <plate>
PLATE 020

> <well>
C5

> <supplier_cmpd_name>
Baricitinib

> <ctcr_id>
6687

> <supplier_cmpd_id>
T2485

> <smiles>
CCS(=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3ncnc4[nH]ccc34

> <pd_targets>
{JAK2,TYK2,JAK3,AAK1,JAK1,BMP2K,GAK,PTK2B}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","Tyrosine protein kinase JakA family","Other protein kinase NAK family","Tyrosine protein kinase Fak family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Non-receptor tyrosine kinases (nRTKs)","NAK family","Numb-associated kinase (NAK) family","Janus kina
se (JakA) family","Fak family"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Vesicle-mediated transport",Mitotic,"Cytokine Signaling in Immune system","Membrane Trafficking","Mitotic G1 phase and G1/S transition","Interferon Signaling","Signaling
 by Interleukins","Clathrin-mediated endocytosis","trans-Golgi Network Vesicle Budding","G1 Phase","Interferon alpha/beta signaling","Interleukin-2 family signaling","Cargo recognition for clathrin-me
diated endocytosis","Antiviral mechanism by IFN-stimulated genes","Golgi Associated Vesicle Biogenesis","Cyclin D associated events in G1","Regulation of IFNA signaling","Interleukin-15 signaling","IS
G15 antiviral mechanism","Interleukin-2 signaling"}

> <broad_targets>
{JAK1,JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{Baricitinib,1187594-09-7,1187594097,INCB028050,olumiant,LY3009104,"INCB 028050",INCB-028050,UNII-ISP4442I3Y,UNIIISP4442I3Y,"Baricitinib (LY3009104, INCB028050)",LY-3009104,ISP4442I3Y,"LY 3009104","11
87594-09-7 (free base)","1187594097 (free base)","LY3009104 (phosphate);INCB02805",T2485,S2851,"Baricitinib (LY3009104)"}

> <pdid>
PD010550

> <targets>
{JAK}

> <classes>
{}

> <pubchem_cids>
{44205240}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
    1.3000   -0.7500    0.0000 O   0  0
   11.5904    0.3824    0.0000 O   0  0
   12.8907    1.1301    0.0000 C   0  0
   12.8928    2.6309    0.0000 N   0  0
   11.5946    3.3840    0.0000 C   0  0
   11.5946    4.8840    0.0000 C   0  0
   10.2956    5.6340    0.0000 C   0  0
    8.9965    4.8840    0.0000 C   0  0
    8.9965    3.3840    0.0000 C   0  0
   10.2956    2.6340    0.0000 C   0  0
    7.6963    5.6345    0.0000 C   0  0
    8.9090    6.4540    0.0000 C   0  0
    8.4439    7.8801    0.0000 C   0  0
    6.9439    7.8784    0.0000 C   0  0
    6.4819    6.4513    0.0000 C   0  0
    6.3982    4.8813    0.0000 C   0  0
    5.1007    4.1286    0.0000 N   0  0
   14.1889    0.3770    0.0000 C   0  0
   15.4881    1.1270    0.0000 C   0  0
   16.7871    0.3769    0.0000 C   0  0
   16.7870   -1.1231    0.0000 C   0  0
   15.4880   -1.8730    0.0000 N   0  0
   14.1890   -1.1230    0.0000 C   0  0
   12.8908   -1.8761    0.0000 N   0  0
   12.8929   -3.3769    0.0000 C   0  0
   11.5947   -4.1300    0.0000 C   0  0
   11.5947   -5.6301    0.0000 C   0  0
   10.2957   -6.3801    0.0000 C   0  0
    8.9966   -5.6301    0.0000 N   0  0
    8.9965   -4.1301    0.0000 C   0  0
   10.2956   -3.3801    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 15 20  1  0
 20 21  3  0
  7 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12496

> <plate>
PLATE 020

> <well>
C6

> <supplier_cmpd_name>
Apatinib

> <ctcr_id>
4550

> <supplier_cmpd_id>
T2582

> <smiles>
CS(=O)(=O)O.O=C(Nc1ccc(cc1)C2(CCCC2)C#N)c3cccnc3NCc4ccncc4

> <pd_targets>
{KDR,KIT,RET,CSK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Cs
k family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type IV RTKs: VEGF (vascular endothelial growth fa
ctor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Csk family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Nervous system devel
opment","Signaling by VEGF","Signaling by KIT in disease","Axon guidance","Oncogenic MAPK signaling","VEGFA-VEGFR2 Pathway","Drug resistance of KIT mutants","RET signaling","Signaling by RAS mutants",
"VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","Signaling downstream of RAS mutants"}

> <broad_targets>
{CSK,KDR,KIT,RET}

> <broad_moa>
{"RET tyrosine kinase inhibitor"}

> <synonyms>
{Apatinib,"Apatinib Mesylate",1218779-75-9,1218779759,"1218779 75 9","Rivoceranib mesylate",YN968D1,YN-968D1,"YN 968D1",UNII-TK02X14ASJ,UNIITK02X14ASJ,"UNII TK02X14ASJ",TK02X14ASJ,Apatinib?mesylate,"A
litan (TN)","Apatinib (YN968D1)","Apatinib - YN968D1","Apatinib  YN968D1","Apatinib   YN968D1","Rivoceranib mesylate (USAN)",cc-605,cc605,"cc 605",MLS006011286,CHEMB,T5153,T2582,S2221,"Apatinib mesyla
te"}

> <pdid>
PD057121

> <targets>
{VEGFR,c-RET}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{45139106}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
   -5.3894   -6.7591    0.0000 C   0  0
   -3.9504   -7.1827    0.0000 O   0  0
   -2.8628   -6.1485    0.0000 C   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 C   0  0
   -3.2175   -4.6910    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.3452   -0.0183    0.0000 N   0  0
    4.8818   -2.5602    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 N   0  0
   -7.7969    2.9905    0.0000 C   0  0
   -9.0983    3.7364    0.0000 C   0  0
   -9.1031    5.2364    0.0000 C   0  0
   -7.8065    5.9905    0.0000 C   0  0
   -6.5050    5.2446    0.0000 C   0  0
   -5.2084    5.9988    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 11 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21  9  1  0
 21 15  2  0
 18 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 33 34  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12497

> <plate>
PLATE 020

> <well>
C7

> <supplier_cmpd_name>
Apixaban

> <ctcr_id>
5365

> <supplier_cmpd_id>
T1736

> <smiles>
COc1ccc(cc1)n2nc(C(N)=O)c3CCN(C(=O)c23)c4ccc(cc4)N5CCCCC5=O

> <pd_targets>
{F10,F2}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease PA clan","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PA: Serine (S) Peptidases","S1: Chymotrypsin"}

> <pathway_reactome>
{Disease,"Diseases of hemostasis","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Defective factor IX causes hemophilia B","Defective factor VIII causes hemophilia A","
Defective F9 variant does not activate FX","Defective F8 cleavage by thrombin"}

> <broad_targets>
{F10}

> <broad_moa>
{"coagulation factor inhibitor"}

> <synonyms>
{Apixaban-(d3),Apixaban(d3),"BMS 562247",Apixabin,"HSDB 8223",Apixaban,503612-47-3,503612473,Eliquis,BMS-562247-01,BMS56224701,BMS-562247,BMS562247,"BMS 562247-01","BMS 56224701",UNII-3Z9Y7UWC1J,UNII3
Z9Y7UWC1J,3Z9Y7UWC1J,CHEMBL231779,CHEBI:72296,BMS562247-01,"Apixaban-13C,D3","Apixaban13C,D3",GG2,"Eliquis (TN)",Apixaban(BMS-562247-01),Apixaban(BMS56224701),ap,T1736,S1593}

> <pdid>
PD009294

> <targets>
{"Factor Xa"}

> <classes>
{Metabolism}

> <pubchem_cids>
{10182969}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 41  0  0  1  0            999 V2000
   -2.5213    7.3462    0.0000 C   0  0
   -3.9450    7.8188    0.0000 C   0  0
   -4.2475    9.2879    0.0000 C   0  0
   -3.1265   10.2845    0.0000 C   0  0
   -1.7029    9.8120    0.0000 C   0  0
   -0.3999   10.5536    0.0000 S   0  0
    0.7084    9.5428    0.0000 N   0  0
    0.0789    8.1954    0.0000 C   0  0
   -1.4003    8.3428    0.0000 C   0  0
    0.8229    6.8920    0.0000 N   0  0
    0.0665    5.5967    0.0000 C   0  0
    0.8101    4.2940    0.0000 C   0  0
    2.3102    4.2865    0.0000 N   0  0
    3.0665    5.5820    0.0000 C   0  0
    2.3229    6.8847    0.0000 C   0  0
    3.0568    2.9846    0.0000 C   0  0
    4.5577    2.9794    0.0000 C   0  0  1  0  0  0
    5.3058    1.6792    0.0000 C   0  0  1  0  0  0
    6.8058    1.6771    0.0000 C   0  0
    7.5577    2.9751    0.0000 C   0  0
    6.8095    4.2752    0.0000 C   0  0
    5.3095    4.2773    0.0000 C   0  0
    4.5509    0.3820    0.0000 C   0  0
    3.0546    0.3862    0.0000 N   0  0
    2.0715   -0.9304    0.0000 C   0  0
    2.5129   -2.3640    0.0000 O   0  0
    0.5442   -0.4038    0.0000 C   0  0  1  0  0  0
    0.5442    1.2289    0.0000 C   0  0  1  0  0  0
    2.0715    1.7204    0.0000 C   0  0
    2.5322    3.1479    0.0000 O   0  0
   -0.9831    1.7204    0.0000 C   0  0  2  0  0  0
   -0.1756    1.0358    0.0000 C   0  0
   -0.1756    0.0000    0.0000 C   0  0
   -0.9831   -0.9304    0.0000 C   0  0  1  0  0  0
   -1.9662    0.3862    0.0000 C   0  0
   10.0577    4.0944    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  1  1  0
  9  5  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 13 16  1  0
 17 16  1  6
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 18 23  1  1
 23 24  1  0
 24 25  1  0
 25 26  2  0
 27 25  1  6
 27 28  1  0
 28 29  1  6
 29 24  1  0
 29 30  2  0
 28 31  1  0
 31 32  1  1
 32 33  1  0
 34 33  1  1
 34 27  1  0
 34 35  1  0
 35 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12498

> <plate>
PLATE 020

> <well>
C8

> <supplier_cmpd_name>
Lurasidone hydrochloride

> <ctcr_id>
11201

> <supplier_cmpd_id>
T1735

> <smiles>
c1cccc2snc(c12)N1CCN(CC1)C[C@H]1[C@@H](CCCC1)CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2C1.Cl

> <pd_targets>
{ADRA2A,ADRA2C,HTR2A,HTR1A,HTR7,DRD2}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor","Serotonin receptor","Dopamine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors,"5-Hydroxytryptamine receptors","Dopamine receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by GPCR","Infectious disease","GPCR ligand binding","Leishmania infection","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","A
mine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection",Adrenoceptors,"Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production","Dopam
ine receptors"}

> <broad_targets>
{ADRA2A,ADRA2C,DRD2,HTR1A,HTR2A,HTR7}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{"Lurasidone hydrochloride","Lurasidone HCl",367514-88-3,367514883,Latuda,SM-13496,SM13496,"SM 13496",Lurasidonhydrochloride,UNII-O0P4I5851I,UNIIO0P4I5851I,CHEBI:70732,O0P4I5851I,"367514-88-3 (HCl)","
367514883 (HCl)","Lurasidone hydrochloride (USAN)","Latuda (TN)","lurasidone mon",T1735}

> <pdid>
PD009198

> <targets>
{5-HT1A,5-HT2A,5-HT7,D2,"Norepinephrine ¦Á2C"}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{11237860}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    3.8978   -2.2504    0.0000 N   0  0
    2.5988   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 N   0  0
   -4.9530   -1.9978    0.0000 N   0  0
   -4.2010   -3.2957    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 N   0  0
   -4.8092   -4.6676    0.0000 C   0  0
   -6.2798   -4.9368    0.0000 C   0  0
   -6.7828   -6.3500    0.0000 C   0  0
   -5.8105   -7.4922    0.0000 N   0  0
   -4.3352   -7.2212    0.0000 C   0  0
   -3.8322   -5.8081    0.0000 C   0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13  9  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12499

> <plate>
PLATE 020

> <well>
C9

> <supplier_cmpd_name>
Topiroxostat

> <ctcr_id>
11202

> <supplier_cmpd_id>
T2397

> <smiles>
N#Cc1nccc(c1)c1n[nH]c(n1)c1ccncc1

> <pd_targets>
{XDH}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"1.-.-.- Oxidoreductases"}

> <pathway_reactome>
{Metabolism,"Metabolism of nucleotides","Nucleobase catabolism","Purine catabolism"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Q15725832,Topiroxostat,577778-58-6,577778586,"FYX 051",FYX-051,FYX051,"4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE","4(5PYRIDIN4YL1H1,2,4TRIAZOL3YL)PYRIDINE2CARBONITRILE",UNII-0J8
77412JV,UNII0J877412JV,"2-Pyridinecarbonitrile, 4-(5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl)-","2Pyridinecarbonitrile, 4(5(4pyridinyl)1H1,2,4triazol3yl)",5-(2-cyano-4-pyridyl)-3-(4-pyridyl)-1,5(2cyano4py
ridyl)3(4pyridyl)1,T2397}

> <pdid>
PD008500

> <targets>
{XO,Cytochrome P450,Xanthine Oxidase}

> <classes>
{Immunology/Inflammation,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5288320}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 S   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3015   -2.2494    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0095   -6.0029    0.0000 C   0  0
   -0.0126   -7.5029    0.0000 C   0  0
   -1.3132   -8.2502    0.0000 C   0  0
   -2.6106   -7.4975    0.0000 C   0  0
   -2.6076   -5.9975    0.0000 C   0  0
   -1.3162   -9.7502    0.0000 F   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -3.9040    1.5956    0.0000 C   0  0
   -4.7857    2.8092    0.0000 C   0  0
   -4.1756    4.1795    0.0000 C   0  0
   -2.6838    4.3363    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
    0.6936    4.0776    0.0000 C   0  0
    2.1611    3.7632    0.0000 C   0  0
    3.1679    4.8762    0.0000 C   0  0
    4.6346    4.5620    0.0000 O   0  0
    2.7072    6.3037    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  1
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
  4 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24  3  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12500

> <plate>
PLATE 020

> <well>
C10

> <supplier_cmpd_name>
Ramatroban

> <ctcr_id>
11203

> <supplier_cmpd_id>
T2396

> <smiles>
C1Cc2c(C[C@@H]1NS(=O)(=O)c1ccc(cc1)F)c1ccccc1n2CCC(=O)O

> <pd_targets>
{PTGDR2,CYP2C9,TBXA2R,PTGDR,ABCB11}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,Transporter,"Family A G protein-coupled receptor","Cytochrome P450","Primary active transporter","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","ATP-b
inding cassette","Lipid-like ligand receptor (family A GPCR)","Cytochrome P450 family 2C","ABCB subfamily","Prostanoid receptor","Cytochrome P450 2C9"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Cytochrome P450","ATP-binding cassette transporter family","Prostanoid receptors","CYP2 family: drug metabolising subset","ABCB subfamily
"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Signaling by GPCR","Biological oxidations","Infectious disease","Metabolism of lipids","GPCR ligand binding","Phase I - Functionalization of compounds","Leis
hmania infection","Metabolism of steroids","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Bile acid and bile salt meta
bolism","Eicosanoid ligand-binding receptors",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts","Prostanoid ligand receptors","C
YP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{PTGDR2,TBXA2R}

> <broad_moa>
{"prostanoid receptor antagonist"}

> <synonyms>
{Ramatroban,116649-85-5,116649855,Baynas,"BAY u3405","Bay u 3405",Bay-u-3405,Bayu3405,"BAY-u 3405","BAYu 3405",UNII-P1ALI72U6C,UNIIP1ALI72U6C,P1ALI72U6C,CHEMBL361812,NCGC00167519-01,NCGC0016751901,"EN
 137774",EN-137774,EN137774,"Bay u 3406","Bay u-3405","Bay u3405",DSSTox_CID_26685,DSSToxCID26685,DSSTox-CID-26685,"DSSTox CID 26685",DSSTox_RID_81819,DSSToxRID81819,DSSTox-RID-81819,"DSSTox RID 81819
",DSSTox_GSID_46685,DSSToxGSID46685,DSSTox-GSID-46685,"DSSTox GSID 46685",(3H)ramat,T2396}

> <pdid>
PD012103

> <targets>
{CRTh2,TXA2R}

> <classes>
{Endocrinology/Hormones,Metabolism}

> <pubchem_cids>
{123879}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    5.0987    2.2518    0.0000 Br  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 S   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -2.5848    6.0040    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -3.8915    3.7585    0.0000 C   0  0
   -5.1938    3.0126    0.0000 N   0  0
   -5.2015    1.5126    0.0000 C   0  0
   -6.5043    0.7691    0.0000 C   0  0
   -7.7996    1.5257    0.0000 N   0  0
   -7.7920    3.0257    0.0000 C   0  0
   -6.4892    3.7691    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
  6 20  1  0
 20 21  1  0
 20 22  2  0
 22  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12501

> <plate>
PLATE 020

> <well>
C11

> <supplier_cmpd_name>
Vortioxetine HBr

> <ctcr_id>
883

> <supplier_cmpd_id>
T2395L

> <smiles>
Br.Cc1ccc(Sc2ccccc2N3CCNCC3)c(C)c1

> <pd_targets>
{HTR6,ADRB1,SLC6A4,HTR1D,HTR1B,HTR1A,HTR7,HTR2A,HTR3A,ADRB2,HTR5A,HTR2C,SLC6A3,HRH1,CYP2C9,CYP3A4,CYP2D6,HRH2,SLC6A2}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Ion channel",Enzyme,"Family A G protein-coupled receptor","Electrochemical transporter","Ligand-gated ion channel","Cytochrome P450","Small molecule receptor (family 
A GPCR)","SLC superfamily of solute carriers","5HT3 receptor","Cytochrome P450 family 2","Cytochrome P450 family 3","Monoamine receptor","SLC06 neurotransmitter transporter family","Cytochrome P450 fa
mily 2C","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Serotonin receptor","Adrenergic receptor","Histamine receptor","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Ligand-gated ion channels","Cytochrome P450","5-Hydroxytryptamine receptors",Adrenoce
ptors,"SLC6 neurotransmitter transporter family","5-HT<sub>3</sub> receptors","Histamine receptors","CYP2 family: drug metabolising subset","CYP3 family","Monoamine transporter subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Signal Transduction",Metabolism,"Infectious disease","Transmission across Chemical Synapses","Signaling by GPCR","Disorders of transmembrane transporters","Biological oxida
tions","Metabolism of lipids","Leishmania infection","Neurotransmitter clearance","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","SLC transporter disorders","P
hase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania parasite growth and survival","Serotonin clearance from the synaptic cleft","Class A/1 
(Rhodopsin-like receptors)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Defective SLC6A2 causes
 orthostatic intolerance (OI)","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors",Xenobiotics,"Biosynthesis of maresins","ADORA2B mediated anti-infla
mmatory cytokines production","Serotonin receptors","Histamine receptors","CYP2E1 reactions","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{HTR1A,HTR1B,HTR2A,HTR2C,HTR3A,HTR5A,HTR6,HTR7,SLC6A4}

> <broad_moa>
{"serotonin receptor agonist","serotonin receptor antagonist"}

> <synonyms>
{"Vortioxetine hydrobromide",960203-27-4,960203274,"Vortioxetine HBr","Vortioxetine (Lu AA21004) HBr","Vortioxetine (hydrobromide)",UNII-TKS641KOAY,UNIITKS641KOAY,Brintellix,Trintellix,TKS641KOAY,"Lu 
AA21004 (HBr)","960203-27-4 (HBr)","960203274 (HBr)",CHEBI:76015,B,T2395L,T2395,S8021,Vortioxetine}

> <pdid>
PD012584

> <targets>
{5-HT Receptor,Serotonin Transporter}

> <classes>
{Neuronal Signaling,GPCR/G Protein}

> <pubchem_cids>
{56843850}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 34  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  0
    3.8869   -8.2595    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -9.0967    3.7462    0.0000 N   0  0
   -9.0947    5.2471    0.0000 C   0  0
   -7.7943    5.9948    0.0000 N   0  0
  -10.3922    5.9997    0.0000 N   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.2904    0.3677    0.0000 C   0  0
   10.2904   -1.1323    0.0000 S   0  0
   10.2904   -2.6323    0.0000 O   0  0
    8.9911   -1.8819    0.0000 O   0  0
   11.5897   -1.8819    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 21 26  1  0
 26 27  2  0
 27 18  1  0
 14 28  1  0
 28 29  2  0
 29 11  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 31 34  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12502

> <plate>
PLATE 020

> <well>
D2

> <supplier_cmpd_name>
Camostat mesilate

> <ctcr_id>
6275

> <supplier_cmpd_id>
T2391

> <smiles>
CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1.C[S](O)(=O)=O

> <pd_targets>
{PLG,PRSS1,NGFG,F2,PRSS2,PRSS3,TMPRSS2,HGFAC,SLC47A2,SLC47A1,SLC22A2,HPN,ST14,CCK}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,"Secreted protein",Protease,"Electrochemical transporter","Serine protease","SLC superfamily of solute carriers","Serine protease PA clan","SLC47 family of m
ultidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Peptidases and proteinases","SLC superfamily of solute carriers","PA: Serine (S) Peptidases","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organi
c cation and anion transporters","S1: Chymotrypsin","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Hemostasis,Metabolism,"Metabolism of proteins",Disease,"Signal Transduction","Transport of small molecules","Developmental Biology","Platelet activation","signaling and aggregation","Metabolism of vi
tamins and cofactors","Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)","Diseases of hemostasis","Infectious disease","Signa
ling by Receptor Tyrosine Kinases","SLC-mediated transmembrane transport",Keratinization,"Signaling by GPCR","Response to elevated platelet cytosolic Ca2+","Metabolism of water-soluble vitamins and co
factors","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","SARS-CoV Infections","Signaling by MET","Transport of bile salts and organic acids","metal ions and amine compo
unds","Formation of the cornified envelope","GPCR ligand binding","Platelet degranulation","Cobalamin (Cbl","vitamin B12) transport and metabolism","Defective factor VIII causes hemophilia A","SARS-Co
V-1 Infection","MET Receptor Activation","Organic cation/anion/zwitterion transport","Class A/1 (Rhodopsin-like receptors)","Defective F8 cleavage by thrombin","Attachment and Entry","Organic cation t
ransport","Peptide ligand-binding receptors"}

> <broad_targets>
{PRSS1}

> <broad_moa>
{"protease inhibitor"}

> <synonyms>
{"Camostat monomethanesulfonate",Foipan,"FOY 305",UNII-451M50A1EQ,UNII451M50A1EQ,"UNII 451M50A1EQ",451M50A1EQ,Camostatmesilate,"Camostat mesilate (JAN)",AKOS015909670,4-((4-((aminoiminomethyl)amino)be
nzoyl)oxy)-benzeneaceticaci2-(dimethylam,4((4((aminoiminomethyl)amino)benzoyl)oxy)benzeneaceticaci2(dimethylam,4((4((ami,S2874,"Camostat Mesilate"}

> <pdid>
PD014283

> <targets>
{"HCV Protease",Others}

> <classes>
{Others}

> <pubchem_cids>
{43071,5284360}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 Cl  0  0
   -5.1852   -3.0098    0.0000 C   0  0  2  0  0  0
   -6.4828   -3.7624    0.0000 O   0  0
   -6.4800   -5.2624    0.0000 C   0  0  2  0  0  0
   -7.7799   -6.0126    0.0000 C   0  0
   -9.0793   -5.2631    0.0000 O   0  0
   -5.1795   -6.0099    0.0000 C   0  0  1  0  0  0
   -5.1767   -7.5099    0.0000 O   0  0
   -3.8819   -5.2575    0.0000 C   0  0  2  0  0  0
   -2.5815   -6.0051    0.0000 O   0  0
   -3.8847   -3.7575    0.0000 C   0  0  1  0  0  0
   -2.5871   -3.0051    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 16 11  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  1
 19 20  1  0
 18 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  1  1
 23 25  1  0
 25 16  1  0
 25 26  1  6
  7 27  1  0
 27 28  2  0
 28  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12503

> <plate>
PLATE 020

> <well>
D3

> <supplier_cmpd_name>
Dapagliflozin

> <ctcr_id>
7142

> <supplier_cmpd_id>
T2389

> <smiles>
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1

> <pd_targets>
{SLC5A2,SLC5A1,SLC5A11,SLC5A4}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC05 family of sodium-dependent glucose transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC5 family of sodium-dependent glucose transporters","Hexose transporter family","Sodium <i>myo</i>-inositol cotransporter transporters"}

> <pathway_reactome>
{Disease,"Transport of small molecules","Disorders of transmembrane transporters","SLC-mediated transmembrane transport","SLC transporter disorders","Transport of bile salts and organic acids","metal 
ions and amine compounds","Cellular hexose transport","Defective SLC5A2 causes renal glucosuria (GLYS1)","Defective SLC5A1 causes congenital glucose/galactose malabsorption (GGM)","Inositol transporte
rs"}

> <broad_targets>
{SLC5A1,SLC5A2}

> <broad_moa>
{"sodium/glucose cotransporter inhibitor"}

> <synonyms>
{Dapagliflozin,461432-26-8,461432268,BMS-512148,BMS512148,Forxiga,Farxiga,"BMS 512148",UNII-1ULL0QJ8UC,UNII1ULL0QJ8UC,"(1S)-1,5-Anhydro-1-C-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-D-glucitol","(1S
)1,5Anhydro1C(4chloro3((4ethoxyphenyl)methyl)phenyl)Dglucitol",1ULL0QJ8UC,CHEMBL429910,CHEBI:85078,"Dapagliflozin (USAN:INN)",T4460,T2389,S1548,"Dapagliflozin ((2S)-1,2-propanediol, hydrate)"}

> <pdid>
PD000129

> <targets>
{SGLT}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{9887712}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  1  0            999 V2000
    1.8159    3.2372    0.0000 C   0  0
    1.3960    1.7972    0.0000 C   0  0
    0.0000    1.3479    0.0000 O   0  0
    0.0160   -0.1765    0.0000 C   0  0  1  0  0  0
    0.0160   -1.7169    0.0000 C   0  0
   -1.3158   -2.4871    0.0000 N   0  0
   -2.6797   -1.7169    0.0000 C   0  0
   -2.6636   -0.1765    0.0000 C   0  0
   -1.3158    0.5777    0.0000 C   0  0
   -2.1020   -0.4814    0.0000 C   0  0
   -0.7060   -1.3960    0.0000 C   0  0
    1.4923   -0.5937    0.0000 C   0  0
    2.3267    0.6739    0.0000 S   0  0
   17.3330    0.3754    0.0000 O   0  0
   14.8330    0.3754    0.0000 Cl  0  0
    9.3223    3.2372    0.0000 C   0  0
    8.9024    1.7972    0.0000 C   0  0
    7.5064    1.3479    0.0000 O   0  0
    7.5224   -0.1765    0.0000 C   0  0  1  0  0  0
    7.5224   -1.7169    0.0000 C   0  0
    6.1906   -2.4871    0.0000 N   0  0
    4.8267   -1.7169    0.0000 C   0  0
    4.8427   -0.1765    0.0000 C   0  0
    6.1906    0.5777    0.0000 C   0  0
    5.4043   -0.4814    0.0000 C   0  0
    6.8003   -1.3960    0.0000 C   0  0
    8.9986   -0.5937    0.0000 C   0  0
    9.8330    0.6739    0.0000 S   0  0
   12.3330    0.3754    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  4 12  1  0
 12 13  1  0
 13  2  1  0
 16 17  1  0
 17 18  1  0
 19 18  1  1
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 19 27  1  0
 27 28  1  0
 28 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12504

> <plate>
PLATE 020

> <well>
D4

> <supplier_cmpd_name>
Cevimeline hydrochloride hemihydrate

> <ctcr_id>
11205

> <supplier_cmpd_id>
T2390

> <smiles>
CC1O[C@]2(CN3CCC2CC3)CS1.O.Cl.CC1O[C@]2(CN3CCC2CC3)CS1.Cl

> <pd_targets>
{CHRM3,CHRM1,CHRM4,CHRM2}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM3}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{5350470,"Cevimeline hydrochloride hemihydrate",153504-70-2,153504702,"Cevimeline (hydrochloride hemihydrate)",Cevimelinehydrochloride,AF-102B,AF102B,SNI-2011,SNI2011,2C10H17NOS.2ClH.H2O,EX-A4189,EXA4
189,MFCD01759988,X6142,W-5273,W5273,504C702,T2390}

> <pdid>
PD010182

> <targets>
{mAChR}

> <classes>
{Neuroscience}

> <pubchem_cids>
{71307519}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 41  0  0  1  0            999 V2000
   -3.9597   -2.5668    0.0000 C   0  0
   -2.6587   -3.3134    0.0000 N   0  0
   -1.3618   -2.5589    0.0000 C   0  0  2  0  0  0
    0.0000   -3.2772    0.0000 C   0  0
    1.0774   -2.5589    0.0000 C   0  0
    1.0774   -1.1373    0.0000 C   0  0  1  0  0  0
    2.3045   -0.4040    0.0000 C   0  0  1  0  0  0
    2.3045    0.9727    0.0000 C   0  0
    1.0625    1.6760    0.0000 C   0  0
    0.0000    0.9727    0.0000 C   0  0
    0.0000   -0.4040    0.0000 C   0  0  1  0  0  0
   -1.3618   -1.1223    0.0000 C   0  0  1  0  0  0
   -2.5589    0.2394    0.0000 O   0  0
   -1.3618    1.6760    0.0000 C   0  0
   -1.3618    3.0827    0.0000 C   0  0
    0.0000    3.7710    0.0000 C   0  0
    1.0625    3.0827    0.0000 C   0  0
   -2.6395    3.8685    0.0000 O   0  0
    0.0000   -1.9005    0.0000 C   0  0
    3.2622   -1.9005    0.0000 C   0  0
    3.2622   -1.0625    0.0000 N   0  0
    4.6577   -0.4958    0.0000 C   0  0
    5.8415   -1.4184    0.0000 C   0  0
    7.2549   -1.5708    0.0000 C   0  0
    6.3315   -2.7529    0.0000 C   0  0
    2.3821   -1.8775    0.0000 O   0  0
   -2.6553   -4.8143    0.0000 C   0  0
   -1.3543   -5.5609    0.0000 O   0  0
   -3.9529   -5.5685    0.0000 C   0  0
   -3.9494   -7.0693    0.0000 C   0  0
   -5.2470   -7.8235    0.0000 C   0  0
   -5.3836   -9.3044    0.0000 C   0  0
   -6.8506   -9.6176    0.0000 O   0  0
   -7.6017   -8.3192    0.0000 C   0  0
   -6.5989   -7.2036    0.0000 C   0  0
    9.7549   -2.8743    0.0000 Cl  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11  6  1  0
 11 12  1  0
 12  3  1  0
 12 13  1  6
 13 14  1  0
 14 10  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  3
 17  9  1  0
 15 18  1  0
 11 19  1  1
 19 20  1  0
 20 21  1  0
 21  7  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 23  1  0
  6 26  1  1
  2 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 33 34  1  0
 34 35  2  3
 35 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12505

> <plate>
PLATE 020

> <well>
D5

> <supplier_cmpd_name>
Nalfurafine hydrochloride

> <ctcr_id>
11206

> <supplier_cmpd_id>
T2388

> <smiles>
CN([C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)/C=C/C7=COC=C7.Cl

> <pd_targets>
{OPRK1,OPRM1,MAPK11,MAPK12,MAPK13,MAPK14,MAPK1,OPRD1,MAPK3,HCRTR1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Family A G protein-coupled receptor",Kinase,"Peptide receptor (family A GPCR)","Protein Kinase","Short peptide receptor (family A GPCR)","CMGC protein kinase group","Opioi
d receptor","CMGC protein kinase MAPK family","Orexin receptor","CMGC protein kinase p38 subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Opioid receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Orexin receptors","Mitogen-activated protein kinases (MAP ki
nases)","ERK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","Immune System","RNA Polymerase II Transcription","Signaling by GPCR","Innate Immune System","Generic Transcription Pathway","GPCR downstream s
ignalling","Toll-like Receptor Cascades","GPCR ligand binding","Transcriptional Regulation by MECP2","G alpha (i) signalling events","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin-like re
ceptors)","MECP2 regulates neuronal receptors and channels","Opioid Signalling","MyD88 cascade initiated on plasma membrane","Peptide ligand-binding receptors","G-protein activation","MAP kinase activ
ation","Orexin and neuropeptides FF and QRFP bind to their respective receptors","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{OPRK1,OPRM1}

> <broad_moa>
{"opioid receptor agonist"}

> <synonyms>
{"Nalfurafine hydrochloride","Nalfurafine HCl",152658-17-8,152658178,Remitch,"Nalfurafine (hydrochloride)",TRK-820,TRK820,UNII-25CC4N0P8J,UNII25CC4N0P8J,25CC4N0P8J,CHEMBL490665,MT-9938,MT9938,"AC 820"
,"Nalfurafine hydrochloride (USAN:JAN)",SCHEMBL19856501,DTXSID70426,T2388}

> <pdid>
PD051849

> <targets>
{"¦Ê-opioid receptor"}

> <classes>
{Endocrinology/Hormones,"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{6918287}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  2  1  0
  4  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12506

> <plate>
PLATE 020

> <well>
D6

> <supplier_cmpd_name>
Pirfenidone

> <ctcr_id>
5044

> <supplier_cmpd_id>
T2386

> <smiles>
CC1=CN(C(=O)C=C1)c2ccccc2

> <pd_targets>
{KDM4E,CYP1A2,HPGD,BLM,ALDH1A1,HSD17B10,SMAD3,TGFB1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Secreted protein",Eraser,"Cytochrome P450",Oxidoreductase,"Lysine demethylase","Cytochrome P450 family 1","Jumonji domain-containing","Cytochrome P450 family 1A","Cytoc
hrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","Eicosanoid turnover","1.14.11.- Histone demethylases","CYP1 family","Prostaglandin synthases"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Biological oxidations","Metabolism of lipids","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives","Phase I - Functionalization of compounds","Biosynt
hesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Branched-chain amino acid catabolism","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs",
"HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation",Xenobiotics,"Biosynthesis of D-series resolvins","HDR through Homologous Recombination (HRR)","Aromati
c amines can be N-hydroxylated or N-dealkylated by CYP1A2","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{FURIN,TNF}

> <broad_moa>
{"TGF beta receptor inhibitor"}

> <synonyms>
{Tox21_110225_1,Tox211102251,Tox21-110225-1,"Tox21 110225 1",PIRFENIDONE,53179-13-8,53179138,5-methyl-1-phenylpyridin-2(1H)-one,5methyl1phenylpyridin2(1H)one,Esbriet,AMR-69,AMR69,Deskar,5-Methyl-1-phe
nyl-2-(1H)-pyridone,5Methyl1phenyl2(1H)pyridone,Pirfenidonum,Pirfenidona,Pirespa,"2(1H)-Pyridinone, 5-methyl-1-phenyl-","2(1H)Pyridinone, 5methyl1phenyl","AMR 69",5-methyl-1-phenyl-2(1H)-pyridinone,5m
ethyl1phenyl2(1H)pyridinone,5-Me,5Me,T2386,S2907,Pirfenidone}

> <pdid>
PD000334

> <targets>
{TGF-beta/Smad,CCR}

> <classes>
{TGF-beta/Smad,GPCR/G Protein,Immunology/Inflammation,Stem Cell/Wnt}

> <pubchem_cids>
{40632}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
   12.0827   -1.5276    0.0000 Br  0  5
    9.5953    1.1799    0.0000 C   0  0
    8.1015    1.0434    0.0000 N   0  3
    7.2002    2.2424    0.0000 C   0  0
    8.8534   -0.2546    0.0000 C   0  0
    7.8513   -1.3707    0.0000 C   0  0
    6.4990   -0.7516    0.0000 C   0  0
    6.6348    0.7294    0.0000 C   0  0
    5.1988   -1.5012    0.0000 O   0  0
    3.8990   -0.7508    0.0000 C   0  0
    3.8995    0.7492    0.0000 O   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5993   -0.0004    0.0000 O   0  0
    2.5983   -3.0012    0.0000 C   0  0
    3.8116   -3.8613    0.0000 C   0  0
    3.3476   -5.2877    0.0000 C   0  0
    1.8476   -5.2872    0.0000 C   0  0
    1.3845   -3.8605    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
 12 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12507

> <plate>
PLATE 020

> <well>
D7

> <supplier_cmpd_name>
Glycopyrrolate

> <ctcr_id>
976

> <supplier_cmpd_id>
T2387

> <smiles>
[Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3

> <pd_targets>
{CHRM5,CHRM1,CHRM4,CHRM3,CHRM2}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"RESTW 74",GLYCOPYRROLATE,596-51-0,596510,"596 51 0","glycopyrronium bromide","Glycopyrrolate bromide",Robinul,Gastrodyn,Asecryl,Nodapton,Tarodyl,Tarodyn,Copyrrolate,Cuvposa,"Glycopyrronii bromidum",
AHR-504,AHR504,"AHR 504","Bromuro de glicopirronio","Bromure de glycopyrronium",NVA-237,NVA237,"NVA 237",Rob,T2387,SAM002589987,SAM001246629,Prestw-746,Glycopyrrolate,CPD000469282}

> <pdid>
PD009604

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11693,521843}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 40  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6071   -5.9984    0.0000 N   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -6.4952    0.7500    0.0000 N   0  0
   -5.1962    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6071    5.9984    0.0000 N   0  0
    9.0078    0.3750    0.0000 C   0  0
    7.7078   -0.3750    0.0000 C   0  0
    7.7064   -1.8758    0.0000 C   0  0
    6.4071   -2.6254    0.0000 O   0  0
    9.0049   -2.6266    0.0000 O   0  0
   10.3078   -0.3750    0.0000 C   0  0
   11.6071    0.3746    0.0000 O   0  0
   10.3078   -1.8750    0.0000 O   0  0
   18.0078    0.3750    0.0000 C   0  0
   16.7078   -0.3750    0.0000 C   0  0
   16.7063   -1.8758    0.0000 C   0  0
   15.4071   -2.6254    0.0000 O   0  0
   18.0049   -2.6266    0.0000 O   0  0
   19.3077   -0.3750    0.0000 C   0  0
   20.6070    0.3746    0.0000 O   0  0
   19.3077   -1.8750    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  4  1  0
 11 12  2  0
 12  1  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
  8 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  7  1  0
  3 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 25 30  1  0
 30 31  2  0
 30 32  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 33 38  1  0
 38 39  2  0
 38 40  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12508

> <plate>
PLATE 020

> <well>
D8

> <supplier_cmpd_name>
Pixantrone dimaleate

> <ctcr_id>
11207

> <supplier_cmpd_id>
T2394

> <smiles>
c1cc(c2C(=O)c3c(C(=O)c2c1NCCN)ccnc3)NCCN.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Pixantrone maleate","Pixantrone dimaleate",144675-97-8,144675978,"Pixantrone (dimaleate)",Pixuvri,UNII-P0R64C4CR9,UNIIP0R64C4CR9,"BBR 2778","Pixantrone dimaleate (USAN)",P0R64C4CR9,"144675-97-8 (mal
eate)","144675978 (maleate)","Pixuvri (TN)",Pixolti,6,9-bis((2-aminoethyl)amino,9bis((2aminoethyl)amino,T2394}

> <pdid>

> <targets>
{Topoisomerase}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{9937618}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  1  0            999 V2000
    3.8623   -0.7303    0.0000 F   0  0
    2.5636    0.0202    0.0000 C   0  0
    3.8630    0.7695    0.0000 F   0  0
    2.5646    1.5202    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 Cl  0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2641   -2.2299    0.0000 C   0  0
    1.2655   -3.7307    0.0000 C   0  0
    1.2669   -5.2315    0.0000 C   0  0
    0.5181   -6.4397    0.0000 C   0  0
    2.0181   -6.4383    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16  5  1  0
 16 10  1  0
  5 17  1  1
 17 18  3  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12509

> <plate>
PLATE 020

> <well>
D9

> <supplier_cmpd_name>
Efavirenz

> <ctcr_id>
1315

> <supplier_cmpd_id>
T2393

> <smiles>
FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC3CC3

> <pd_targets>
{"REVERSE TRANSCRIPTASE",POL,FTL,MAPK1,NPSR1,RORC,CYP3A4,MAPT,ENV}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor","Transcription factor","Other cytosolic protein","Surface antigen",Hydrolase,Kinase,"Family A G protein-coupled receptor","Nuclear receptor","Cytochr
ome P450","Protein Kinase","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","CMGC protein kinase group","Short peptide receptor (family A GPCR)","Nu
clear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","CMGC protein kinase MAPK family","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P4
50 3A4","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","G protein-coupled receptors","Nuclear hormone receptors","Cytochrome P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","1F. Ret
inoic acid-related orphans","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Vesicle-mediated transport","Immune System",Disease,"Gene expression (Transcription)",Metabolism,"Neuronal System","Membrane Trafficking","Innate Immune System","Infectious disease","RNA Polymerase 
II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","trans-Golgi Network Vesicle Budding","Toll-like Receptor Cascades","Leishmania infection","Generic Transcription Pathw
ay","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 5 (TLR5) Cas
cade","Leishmania parasite growth and survival","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","MyD88 cascade initiated
 on plasma membrane","Anti-inflammatory response favouring Leishmania parasite infection","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Post NMDA receptor activation
 events","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","MAPK targets/ Nuclear events m
ediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CYP1A2,CYP2B6,CYP2C19,CYP2C9,CYP2D6,CYP3A4}

> <broad_moa>
{"HIV protease inhibitor"}

> <synonyms>
{efavirenz,154598-52-4,154598524,Sustiva,Stocrin,DMP-266,DMP266,"DMP 266",EFV,(Rac)-Efavirenz,(Rac)Efavirenz,"L-743,726","L743,726",UNII-JE6H2O27P8,UNIIJE6H2O27P8,L-743726,L743726,JE6H2O27P8,CHEBI:119
486,MFCD05662344,NSC742403,DSSTox_CID_26029,DSSToxCID26029,DSSTox-CID-26029,"DSSTox CID 26029",DSSTox_RID_81298,DSSToxRID81298,DSSTox-RID-81298,"DSSTox RID 81298",DSSTox_GSID_46029,DSSToxGSID46029,DSS
Tox-GSID-46029,"DSSTox GSID 46029","(Rac)-DMP 266; (Rac)-EFV; (Rac)-","(Rac)DMP 266; (Rac)EFV; (Rac)",T2393,SAM001246667,Prestw-1400,Efavirenz,CPD000466351}

> <pdid>
PD003010

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{64139}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 C   0  0
   -9.0905   -0.7779    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 N   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0707   -5.2796    0.0000 C   0  0
  -10.3671   -6.0341    0.0000 C   0  0
  -11.6687   -5.2886    0.0000 C   0  0
  -12.9652   -6.0432    0.0000 C   0  0
  -11.6740   -3.7886    0.0000 C   0  0
  -12.9748   -3.0401    0.0000 N   0  0
  -12.9779   -1.5393    0.0000 C   0  0
  -14.1914   -0.6794    0.0000 S   0  0
  -13.7279    0.7471    0.0000 C   0  0
  -12.2279    0.7472    0.0000 C   0  0
  -11.7644   -0.6794    0.0000 N   0  0
  -11.3458    1.9613    0.0000 C   0  0
  -11.8503    3.3687    0.0000 C   0  0
  -10.8798    4.5124    0.0000 C   0  0
   -9.4040    4.2438    0.0000 C   0  0
   -8.8987    2.8315    0.0000 N   0  0
   -9.8692    1.6877    0.0000 C   0  0
  -10.3776   -3.0341    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 25  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 23 36  2  0
 36 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12510

> <plate>
PLATE 020

> <well>
D10

> <supplier_cmpd_name>
Masitinib

> <ctcr_id>
1175

> <supplier_cmpd_id>
T2609

> <smiles>
CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5cccnc5)c3

> <pd_targets>
{EPHA8,LYN,ABL1,PDGFRA,KIT,FYN,DDR1,YES1,CSF1R,FGR,EGFR,PDGFRB,EPHA3,SRC,BLK,ERBB2,DDR2,LCK,BRAF,PIM3,HCK,PIM1,MAP3K20,ABL2,RIOK2,FRK,FGFR3,FGFR1,FGFR2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","CAMK protein kinase group","Atypical protein kinase group","Tyrosine protein kinase Eph family","Tyrosine protein 
kinase Src family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase DDR family","Tyrosine protein kinase EGFR family","TKL protein kinase RAF family
","CAMK protein kinase PIM family","TKL protein kinase MLK family","Atypical protein kinase RIO family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase SrcA","TKL protein kinase MLK sub
family","Atypical protein kinase RIO2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases",Atypical,"TK: Tyrosine kinase","TKL: Tyrosine kinase-like","PIM 
family","RIO family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","RAF family","Mixed Lineage Kinase (MLK) family","RIO2 subfamily","Type XIII RTKs: Ephrin receptor famil
y","Src family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XVI RTKs: DDR (collagen receptor) family","Type I RTKs: ErbB (epidermal growth factor) receptor family","MLK s
ubfamily","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Extracellular matrix organization","Gene expression (Transcription)","Signal Transduction","Metabolism of RNA","Nervous system development","Infectious disease","Dise
ases of signal transduction by growth factor receptors and second messengers","Non-integrin membrane-ECM interactions","RNA Polymerase II Transcription","Signaling by GPCR","Intracellular signaling by
 second messengers","Signaling by Receptor Tyrosine Kinases","rRNA processing","Axon guidance","Leishmania infection","Signaling by PDGFR in disease","Signaling by KIT in disease","HIV Infection","Gen
eric Transcription Pathway","GPCR downstream signalling","PIP3 activates AKT signaling","Signaling by NTRKs","FLT3 signaling in disease","rRNA processing in the nucleus and cytosol","Signaling by FGFR
 in disease","EPH-Ephrin signaling","Leishmania parasite growth and survival","Parasite infection","Drug resistance of PDGFR mutants","Drug resistance of KIT mutants","Host Interactions of HIV factors
","Transcriptional Regulation by VENTX","G alpha (q) signalling events","Negative regulation of the PI3K/AKT network","Signaling by NTRK1 (TRKA)","Transcriptional regulation by RUNX1","Semaphorin inte
ractions","Signaling by FLT3 ITD and TKD mutants","Signaling by ROBO receptors","Major pathway of rRNA processing in the nucleolus and cytosol","PTEN Regulation","Signaling by FGFR3 in disease","Signa
ling by FGFR1 in disease","Signaling by FGFR2 in disease","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania parasite infection","Leishmania phagocytosis","Imatinib-
resistant PDGFR mutants","Dasatinib-resistant KIT mutants","The role of Nef in HIV-1 replication and disease pathogenesis","Gastrin-CREB signalling pathway via PKC and MAPK",PI5P,"PP2A and IER3 Regula
te PI3K/AKT Signaling","Signalling to ERKs","RUNX1 regulates transcription of genes involved in BCR signaling","Sema4D in semaphorin signaling","STAT5 activation downstream of FLT3 ITD mutants","Role 
of ABL in ROBO-SLIT signaling","Regulation of PTEN stability and activity","Signaling by FGFR3 point mutants in cancer","FGFR1 mutant receptor activation","FGFR2 mutant receptor activation","FCGR3A-me
diated IL10 synthesis","FCGR3A-mediated phagocytosis","Nef and signal transduction","EGFR Transactivation by Gastrin","Signalling to RAS","Sema4D induced cell migration and growth-cone collapse","Nef-
mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Prolonged ERK activation events","FGFR3 mutant receptor activation","Signaling by activated point mutants o
f FGFR1","Activated point mutants of FGFR2","p38MAPK events","Nef Mediated CD4 Down-regulation","ARMS-mediated activation","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FGFR3,KIT,PDGFRA,PDGFRB}

> <broad_moa>
{"KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","SRC inhibitor"}

> <synonyms>
{s1064,ZINC34177219,AKOS005146325,Masitinib,790299-79-5,790299795,"790299 79 5",AB1010,Masatinib,"Masitinib (AB1010)",AB-1010,"AB 1010",Masivet,UNII-M59NC4E26P,UNIIM59NC4E26P,"UNII M59NC4E26P","Masiti
nib (INN)",M59NC4E26P,CHEMBL1908391,CHEBI:63450,MFCD09954132,C28H30N6OS,"Kinavet CA-1","Kinavet CA1","Kinavet CA 1",Mastinib,G65,Mas,T2609,S1064,masitinib,Masitinib(AB1010),MASITINIB}

> <pdid>
PD003354

> <targets>
{"c-Kit | VEGFR-PDGFR",c-Kit,FGFR,PDGFR,Apoptosis,FAK,Src}

> <classes>
{Apoptosis,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{10074640}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 56 59  0  0  1  0            999 V2000
    0.3136   -9.1076    0.0000 C   0  0
   -0.7848   -8.0861    0.0000 C   0  0
   -0.4500   -6.6300    0.0000 C   0  0  2  0  0  0
    1.2900   -6.0600    0.0000 C   0  0
    3.4100   -6.5900    0.0000 C   0  0
    4.3331   -7.7723    0.0000 C   0  0
    3.4100   -4.8000    0.0000 C   0  0
    4.5700   -3.9100    0.0000 C   0  0  2  0  0  0
    5.9693   -4.4504    0.0000 C   0  0
    4.3000   -2.4200    0.0000 C   0  0
    5.5000   -1.4500    0.0000 C   0  0  2  0  0  0
    6.8275   -2.1560    0.0000 O   0  0
    6.8805   -3.6551    0.0000 C   0  0
    5.6200    0.1000    0.0000 C   0  0  1  0  0  0
    4.3400    0.9300    0.0000 O   0  0
    4.5000    2.4500    0.0000 C   0  0  2  0  0  0
    4.6374    3.9437    0.0000 O   0  0
    5.8600    3.0600    0.0000 C   0  0  2  0  0  0
    5.9875    4.5546    0.0000 C   0  0
    7.0800    2.2400    0.0000 C   0  0
    6.9800    0.7100    0.0000 C   0  0  2  0  0  0
    8.2076   -0.1525    0.0000 O   0  0
    9.5685    0.4782    0.0000 C   0  0
    3.3000    3.2800    0.0000 C   0  0
    3.3684    4.7784    0.0000 O   0  0
    2.0600    2.5800    0.0000 C   0  0
    1.8859    1.0901    0.0000 O   0  0
    0.9900    3.5700    0.0000 N   0  0
    1.3600    4.9600    0.0000 C   0  0
    0.3400    5.9800    0.0000 C   0  0
   -1.0400    5.5700    0.0000 C   0  0
   -1.4000    4.1800    0.0000 C   0  0
   -0.3600    3.1800    0.0000 C   0  0  1  0  0  0
   -0.7700    1.7900    0.0000 C   0  0
    0.1282    0.5886    0.0000 O   0  0
   -2.2500    1.7900    0.0000 O   0  0
   -3.0300    0.4800    0.0000 C   0  0  1  0  0  0
   -2.0600   -0.7300    0.0000 C   0  0  2  0  0  0
   -0.5813   -0.4783    0.0000 C   0  0
   -2.5600   -2.1500    0.0000 C   0  0  1  0  0  0
   -3.9640   -2.6781    0.0000 O   0  0
   -1.2100   -2.9100    0.0000 C   0  0
   -1.8700   -5.0300    0.0000 C   0  0
   -3.3364   -5.3457    0.0000 O   0  0
   -4.5249    0.3786    0.0000 C   0  0
   -5.3606    1.6243    0.0000 C   0  0
   -5.1867   -0.9684    0.0000 C   0  0
   -6.6841   -1.0698    0.0000 C   0  0  2  0  0  0
   -7.3474   -2.4152    0.0000 C   0  0
   -8.8442   -2.5135    0.0000 C   0  0
   -9.6777   -1.2664    0.0000 C   0  0  2  0  0  0
  -11.1745   -1.3646    0.0000 Cl  0  0
   -9.0144    0.0790    0.0000 C   0  0  1  0  0  0
   -7.5177    0.1773    0.0000 C   0  0
   -9.8510    1.3251    0.0000 O   0  0
  -11.3476    1.2247    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 11 12  1  1
 12 13  1  0
 11 14  1  0
 14 15  1  1
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 21 14  1  0
 21 22  1  6
 22 23  1  0
 16 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 33 32  1  6
 33 28  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  6
 38 40  1  0
 40 41  1  6
 40 42  1  0
 42 43  1  0
 43  3  1  0
 43 44  2  0
 37 45  1  1
 45 46  1  0
 45 47  2  0
 48 47  1  6
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  6
 51 53  1  0
 53 54  1  0
 54 48  1  0
 53 55  1  6
 55 56  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12511

> <plate>
PLATE 020

> <well>
D11

> <supplier_cmpd_name>
Pimecrolimus

> <ctcr_id>
7315

> <supplier_cmpd_id>
T2648

> <smiles>
CC[C@@H]1\C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)\C(C)=C\[C@@H]4CC[C@H](Cl)[C@@H](C4)OC

> <pd_targets>
{FKBP1A,ABCB11,MTOR}

> <pathway_gtopdb>
{Enzyme,Transporter,Isomerase,"Primary active transporter",Kinase,"ATP-binding cassette","Protein Kinase","ABCB subfamily","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypic
al protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Peptidyl-prolyl cis/trans isomerases","ATP-binding cassette transporter family","Kinases (EC 2.7.x.x)","ABCB subfamily",Atypical,"Phosphatidyl inositol 3' kinase-related kinases
 (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Disease,Metabolism,"Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","RNA Polymerase II Transcription","Signa
ling by TGF-beta Receptor Complex in Cancer","Metabolism of steroids","Generic Transcription Pathway","Loss of Function of TGFBR1 in Cancer","Bile acid and bile salt metabolism","Transcriptional Regul
ation by TP53","TGFBR1 LBD Mutants in Cancer","Synthesis of bile acids and bile salts","Regulation of TP53 Activity","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Regulation 
of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{}

> <broad_moa>
{"calcineurin inhibitor"}

> <synonyms>
{Pimecrolimus,Elidel,137071-32-0,137071320,"SDZ-ASM 981","SDZASM 981",SDZ-ASM-981,SDZASM981,"SDZ ASM 981",33-epi-Chloro-33-desoxyascomycin,33epiChloro33desoxyascomycin,UNII-7KYV510875,UNII7KYV510875,"
ASM 981",7KYV510875,"Elidel (TN)","Pimecrolimus (USAN:INN:BAN)",C43H68ClNO11,Pimecrolimus/,"Pimecrolimus (JAN/USAN/INN)",S5004}

> <pdid>
PD012687

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{6509979}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    6.4451   -1.8434    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    5.5231    4.9024    0.0000 Cl  0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 C   0  0
    4.8054   -4.6666    0.0000 C   0  0
    6.2966   -4.8284    0.0000 O   0  0
    3.9195   -5.8781    0.0000 N   0  0
    4.5250   -7.2514    0.0000 N   0  0
    3.6414   -8.4636    0.0000 C   0  0
    4.2492   -9.8349    0.0000 C   0  0
    5.7408   -9.9941    0.0000 C   0  0
    6.6244   -8.7820    0.0000 C   0  0
    6.0165   -7.4107    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
 12 13  1  0
  5 14  1  0
 14  2  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
  3 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12512

> <plate>
PLATE 020

> <well>
E2

> <supplier_cmpd_name>
Rimonabant

> <ctcr_id>
2590

> <supplier_cmpd_id>
T1519L

> <smiles>
Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(Cl)cc3)C(=O)NN4CCCCC4

> <pd_targets>
{GPR18,CNR1,CNR2,CYP1A2,LMNA,CYP2D6,CYP2C9,MAPT,CYP2C19,GPR55,NPSR1,CYP3A4,GSP1,KCNH2,FABP1,GSP2,ABCC4,ABCB11,ABCC1,ACHE}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein","Other cytosolic protein","Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 
1","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Lipid-like ligand receptor (family A GPCR)","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Cytoch
rome P450 family 2C","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Cannabinoid receptor","Cytochrome P450 1A1","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochrome P450 2C19
","Lysophosphatidylinositol receptor","Neuropeptide receptor","Cytochrome P450 3A4","Ion channel","Auxiliary transport protein",Transporter,"Voltage-gated ion channel","Fatty acid binding protein fami
ly","Primary active transporter",Hydrolase,"Potassium channels","ATP-binding cassette","Voltage-gated potassium channel","ABCC subfamily","ABCB subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Orphan and other 7TM receptors","Cannabinoid receptors","CYP1 family","CYP2 family: drug metabolising subset","Neuropeptide S recept
or","CYP3 family","Class A Orphans","Ion channels","Other protein targets",Transporters,"Voltage-gated ion channels","Fatty acid-binding proteins","ATP-binding cassette transporter family","Acetylchol
ine turnover","Potassium channels","ABCC subfamily","ABCB subfamily","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Cell Cycle","Neuronal System",Disease,"Signaling by GPCR","Biological oxidations",Mitotic,"Transmission across Chemical Synapses","Infectious disease","Metabolism of
 lipids","GPCR downstream signalling","Phase I - Functionalization of compounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","Biosynthesis of spe
cialized proresolving mediators (SPMs)","G alpha (i) signalling events","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic e
vents","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs",Xenobiotics,"Mitotic Anaphase","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishman
ia parasite infection","Biosynthesis of maresins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Activation of AMPK downstrea
m of NMDARs","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","Muscle contraction",Hemostasis,"Cardiac co
nduction","Platelet activation","signaling and aggregation","Phase 3 - rapid repolarisation","Regulation of lipid metabolism by PPARalpha","Response to elevated platelet cytosolic Ca2+","Metabolism of
 steroids","Fatty acid metabolism","Phospholipid metabolism","PPARA activates gene expression","Platelet degranulation","Bile acid and bile salt metabolism","Arachidonic acid metabolism","Glycerophosp
holipid biosynthesis","Synthesis of bile acids and bile salts","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Synthesis of PC","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"
}

> <broad_targets>
{CNR1,GPR55}

> <broad_moa>
{"cannabinoid receptor antagonist"}

> <synonyms>
{Rimonabant,168273-06-1,168273061,Acomplia,Zimulti,SR141716,"SR 141716",SR141716A,UNII-RML78EN3XE,UNIIRML78EN3XE,"A 281","Rimonabant free base","SR 141716A",SR-141716A,RML78EN3XE,CHEMBL111,"Rimonabant
 (SR141716)",SR-141716,Rimoslim,CHEBI:34967,NCGC00164572-01,NCGC0016457201,(3H)SR141716A,T1519L,T1915,T1519,S3021,AM251,"Rimonabant hydrochloride"}

> <pdid>
PD003150

> <targets>
{"Cannabinoid Receptor"}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{104850}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 41  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.7124    4.0029    0.0000 N   0  0
   -3.1023    5.3733    0.0000 C   0  0
   -3.7126    6.7423    0.0000 C   0  0
   -2.8309    7.9559    0.0000 C   0  0
   -1.3391    7.7991    0.0000 C   0  0
   -0.7290    6.4288    0.0000 C   0  0
   -1.6105    5.2165    0.0000 C   0  0
   -3.4413    9.3269    0.0000 C   0  0
   -4.0514   10.6972    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8791    2.2804    0.0000 C   0  0
   -2.5628    0.0004    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 N   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    0.0072   -7.5016    0.0000 N   0  0
   -1.2895   -8.2559    0.0000 C   0  0
   -1.2847   -9.7558    0.0000 C   0  0
    0.0167  -10.5017    0.0000 O   0  0
    1.3133   -9.7476    0.0000 C   0  0
    1.3086   -8.2476    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  8  1  0
 16 11  1  0
 13 17  1  0
 17 18  3  0
  9 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22  5  2  0
 22 23  1  0
 23 24  2  0
 24  3  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 28 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12513

> <plate>
PLATE 020

> <well>
E3

> <supplier_cmpd_name>
Alectinib

> <ctcr_id>
584

> <supplier_cmpd_id>
T1936

> <smiles>
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6

> <pd_targets>
{KDR,MET,ROS1,ALK,SRPK1,RET,EML4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","CMGC protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Met family","Tyrosine p
rotein kinase Sev family","TKL protein kinase STKR family","CMGC protein kinase SRPK family","Tyrosine protein kinase Ret family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","SRPK family","Receptor tyrosine kinases (RTKs)
","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XVII RTKs: ROS receptors","Type XIX RTKs: Leukocyte tyro
sine kinase (LTK) receptor family","Type XIV RTKs: RET"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Signaling by Receptor Tyrosine Kinases","Nervous system development","Signaling by VEGF","Axon guidance","VEGFA-VEGFR2 Pathway","Semaphorin interactions
","RET signaling","VEGFR2 mediated cell proliferation","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{ALK,MET}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor"}

> <synonyms>
{Alectinib,1256580-46-7,1256580467,CH5424802,Alecensa,"CH 5424802",AF-802,AF802,UNII-LIJ4CT1Z3Y,UNIILIJ4CT1Z3Y,"Alectinib (CH5424802)",RO5424802,"Alectinib free base","AF 802",LIJ4CT1Z3Y,CH-5424802,CH
EMBL1738797,"1256580-46-7 (free base)","1256580467 (free base)",C30H34N4O2,"Alectinib (USAN:INN)",EMH,T1936,764040,S2762}

> <pdid>
PD003223

> <targets>
{ALK}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{49806720}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -0.0103    7.5017    0.0000 N   0  0
   -1.3123    8.2482    0.0000 C   0  0
   -2.6088    7.4938    0.0000 O   0  0
   -1.3178    9.7490    0.0000 C   0  0
   -0.0199   10.5012    0.0000 C   0  0
   -0.0223   12.0012    0.0000 C   0  0
   -1.3226   12.7491    0.0000 C   0  0
   -2.6204   11.9970    0.0000 C   0  0
   -2.6180   10.4970    0.0000 C   0  0
   -3.9158    9.7449    0.0000 C   0  0
   -3.9213   12.7452    0.0000 C   0  0
   -3.9262   14.2453    0.0000 C   0  0
   -5.2277   14.9911    0.0000 C   0  0
   -6.5243   14.2370    0.0000 C   0  0
   -7.8280   14.9805    0.0000 O   0  0
   -9.1242   14.2241    0.0000 C   0  0
  -10.4272   14.9673    0.0000 F   0  0
   -9.1168   12.7241    0.0000 F   0  0
  -10.4194   13.4675    0.0000 F   0  0
   -6.5195   12.7370    0.0000 C   0  0
   -5.2180   11.9911    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  2  1  0
  4  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 26 32  1  0
 32 33  2  0
 33 23  1  0
 12 34  1  0
 34 35  2  0
 35  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12514

> <plate>
PLATE 020

> <well>
E4

> <supplier_cmpd_name>
Sonidegib

> <ctcr_id>
4291

> <supplier_cmpd_id>
T1926

> <smiles>
CC1CN(CC(C)O1)c2ccc(NC(=O)c3cccc(c3C)c4ccc(OC(F)(F)F)cc4)cn2

> <pd_targets>
{SMO,SHH}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{"Organelle biogenesis and maintenance",Disease,"Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Cargo trafficking to the periciliary membrane","Hh
 mutants abrogate ligand secretion","BBSome-mediated cargo-targeting to cilium","HHAT G278V doesn't palmitoylate Hh-Np"}

> <broad_targets>
{SMO}

> <broad_moa>
{"smoothened receptor antagonist"}

> <synonyms>
{"Sonidegib;LDE225; NVP-LDE 225","Sonidegib;LDE225; NVPLDE 225",SCHEMBL555313,CHEMBL2141738,HMS3655F04,AKOS026750268,NCGC00387854-03,NCGC0038785403,AK198959,FT-0667957,FT0667957,A25438,T1926,S2151,Son
idegib,"LDE225 (NVP-LDE225, Erismodegib)","LDE225 (NVP-LDE225,Erismodegib)"}

> <pdid>
PD003504

> <targets>
{Hedgehog/Smoothened}

> <classes>
{"Stem Cells & Wnt"}

> <pubchem_cids>
{53396339}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 35  0  0  1  0            999 V2000
    3.9075   -3.7444    0.0000 C   0  0
    2.6060   -2.9986    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0  2  0  0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 N   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 N   0  0
    7.7985   -1.4932    0.0000 C   0  0
    8.9127   -0.4902    0.0000 N   0  0
    8.3026    0.8801    0.0000 C   0  0
    6.8108    0.7233    0.0000 N   0  0
    6.4994   -0.7432    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  5  1  0
 13  9  2  0
  3 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 16  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 14  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12515

> <plate>
PLATE 020

> <well>
E5

> <supplier_cmpd_name>
Idelalisib

> <ctcr_id>
7581

> <supplier_cmpd_id>
T1894

> <smiles>
CC[C@H](Nc1ncnc2[nH]cnc12)C3=Nc4cccc(F)c4C(=O)N3c5ccccc5

> <pd_targets>
{PIK3C3,PIK3CD,PIK3CG,PIK3CB,PIK3CA,PIK3R1,PRKDC,PIK3R2}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,"Phosphatidylinositol 3-kinase family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-relat
ed kinases (PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Metabolism of lipids","Diseases of signal transduction by grow
th factor receptors and second messengers","Innate Immune System","Signaling by Insulin receptor","Signaling by Interleukins","Phospholipid metabolism","Signaling by FGFR in disease","Cytosolic sensor
s of pathogen-associated DNA","Insulin receptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Signaling by FGFR1 in disease","STING mediated induction of host
 immune responses","IRS-mediated signalling","Interleukin receptor SHC signaling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","IRF3-mediated induction of type I IFN",
"PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AL101 (IDELALISIB",GS-1101,GS1101,SCHEMBL356400,Idelalisib,870281-82-6,870281826,CAL-101,CAL101,Zydelig,"CAL 101",1146702-54-6,1146702546,UNII-YG57I8T5M0,UNIIYG57I8T5M0,"CAL-101 (Idelalisib, GS-1101
)","CAL101 (Idelalisib, GS1101)","Idelalisib (CAL-101)","Idelalisib (CAL101)","GS 1101",(S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinaz,(S)2(1(9Hpurin6ylamino)propyl)5fluoro3phenylquinaz,
T1894,759224,S2226,SY-CAL101}

> <pdid>
PD003400

> <targets>
{PI3K-delta,PI3K}

> <classes>
{}

> <pubchem_cids>
{11625818}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    3.9254   -5.8780    0.0000 C   0  0
    4.8082   -4.6653    0.0000 C   0  0
    6.2998   -4.8240    0.0000 C   0  0
    5.4168   -6.0363    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  0
   -3.8990   -0.7455    0.0000 S   0  0
   -3.8964    0.7545    0.0000 O   0  0
   -2.5988    0.0025    0.0000 O   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -5.2034   -2.9932    0.0000 C   0  0
   -3.9059   -3.7459    0.0000 F   0  0
   -6.5040   -3.7406    0.0000 C   0  0
   -7.8015   -2.9879    0.0000 C   0  0
   -7.7984   -1.4879    0.0000 C   0  0
   -6.4978   -0.7406    0.0000 C   0  0
   -6.4947    0.7594    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 S   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 N   0  0
    6.1382    2.3782    0.0000 C   0  0
    7.5955    2.7333    0.0000 N   0  0
    5.7171    0.9385    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 17  1  0
 23 24  1  0
 12 25  2  0
 25  8  1  0
 25 26  1  0
  7 27  2  0
 27 28  1  0
 28  5  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12516

> <plate>
PLATE 020

> <well>
E6

> <supplier_cmpd_name>
Dabrafenib

> <ctcr_id>
6573

> <supplier_cmpd_id>
T1903

> <smiles>
CC(C)(C)c1nc(c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)c4ccnc(N)n4

> <pd_targets>
{RIPK1,BRAF,DSTYK,RIPK2,RIPK3,ARAF,KRAS,TGFBR1,RAF1,SIK1,NEK11,LIMK1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TKL protein kinase group","CAMK protein kinase group","Other protein kinase group","TKL protein kinase RIPK family","TKL protein kinase RAF fami
ly","TKL protein kinase STKR family","CAMK protein kinase CAMK1 family","Other protein kinase NEK family","TKL protein kinase LISK family","TKL protein kinase STKR Type 1 subfamily","CAMK protein kina
se QIK subfamily","Other protein kinase Nek11","TKL protein kinase LIMK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","3.6.5.2 Small monomeric GTPases","Kinases (EC 2.7.x.x)","Receptor kinases","RAS subfamily","CAMK: Calcium/calmodulin-dependent protein kinases","TKL: Tyrosine
 kinase-like","Other protein kinases","CAMK-like (CAMKL) family","Receptor interacting protein kinase (RIPK) family","RAF family","Other-unique family","Receptor serine/threonine kinase (RSTK) family"
,"QIK subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","LIM domain kinase (LISK) family","Type I receptor serine/threonine kinases","LIMK subfamily"}

> <pathway_reactome>
{"Immune System","Signal Transduction",Disease,"Neuronal System","Circadian Clock","Developmental Biology","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduct
ion by growth factor receptors and second messengers","Transmission across Chemical Synapses","MAPK family signaling cascades","Nervous system development","Toll-like Receptor Cascades","Signaling by 
NTRKs","Oncogenic MAPK signaling","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by TGF-beta Receptor Complex in Cancer","MAPK1/MAPK3 signaling","Axon guidance","Toll Lik
e Receptor 4 (TLR4) Cascade","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Signaling by RAS mutants","Activation of NMDA receptors and postsynaptic events","Loss of Function of SM
AD2/3 in Cancer","RAF/MAP kinase cascade","Semaphorin interactions","MyD88-independent TLR4 cascade","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Signaling downstream of RAS muta
nts","Post NMDA receptor activation events","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Negative regulation of MAPK pathway","Sema4D in semaphorin signaling","TRIF(TICAM1)-mediated TLR4 signali
ng","Prolonged ERK activation events","MAP kinase activation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Negative feedback regulation of MAPK pathway","Sema4D 
induced cell migration and growth-cone collapse","IKK complex recruitment mediated by RIP1","ARMS-mediated activation","activated TAK1 mediates p38 MAPK activation","Ras activation upon Ca2+ influx th
rough NMDA receptor"}

> <broad_targets>
{BRAF,LIMK1,NEK11,RAF1,SIK1}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{Dabrafenib,1195765-45-7,1195765457,Tafinlar,"Dabrafenib (GSK2118436)",GSK2118436A,UNII-QGP4HA4G1B,UNIIQGP4HA4G1B,"Dabrafenib (Free Base)",QGP4HA4G1B,"GSK 2118436","1195765-45-7 (free base)","11957654
57 (free base)",CHEBI:75045,Dabrafenib-d9,Dabrafenibd9,GSK-2118436,GSK2118436,GSK-2118436A,"Dabrafenib Mesylate (GSK-2118436)","Dabrafenib Mesylate (GSK2118436)",T1903,16989,S2807,dabrafenib}

> <pdid>
PD003542

> <targets>
{Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{44462760}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 37  0  0  1  0            999 V2000
    6.8594   -0.2862    0.0000 C   0  0
    5.8760    0.8464    0.0000 C   0  0
    4.4000    0.5600    0.0000 C   0  0
    4.2200   -1.1700    0.0000 N   0  0
    2.7300   -2.3100    0.0000 C   0  0
    3.3354   -3.6824    0.0000 O   0  0
    1.0600   -2.6100    0.0000 C   0  0  1  0  0  0
    0.5100   -1.7100    0.0000 C   0  0
    1.1200   -0.8600    0.0000 S   0  0
    1.1200    0.1700    0.0000 S   0  0
    0.1700    0.8900    0.0000 C   0  0
   -0.7300    0.2000    0.0000 C   0  0
   -2.2400    0.4400    0.0000 C   0  0
   -2.2400    1.3600    0.0000 C   0  0
   -3.5000    1.7400    0.0000 C   0  0  2  0  0  0
   -4.3000    0.3600    0.0000 C   0  0
   -3.0600   -0.8000    0.0000 C   0  0
   -1.5902   -0.5006    0.0000 O   0  0
   -3.6400   -2.1100    0.0000 N   0  0
   -2.7700   -3.5200    0.0000 C   0  0  2  0  0  0
   -3.7604   -4.6549    0.0000 C   0  0
   -5.2325   -4.3670    0.0000 C   0  0
   -3.2741   -6.0739    0.0000 C   0  0
   -1.3000   -4.2000    0.0000 C   0  0
   -1.5134   -5.6847    0.0000 O   0  0
    0.3800   -3.9500    0.0000 N   0  0
   -3.5000    2.9300    0.0000 O   0  0
   -1.6300    3.7800    0.0000 C   0  0
   -1.9475    5.2460    0.0000 O   0  0
    0.9600    3.7800    0.0000 C   0  0  1  0  0  0
    1.8200    2.1800    0.0000 N   0  0
    3.3500    2.1800    0.0000 C   0  0
    4.0663    3.4979    0.0000 O   0  0
    1.8359    4.9889    0.0000 C   0  0
    1.2289    6.3606    0.0000 C   0  0
    3.3274    4.8292    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 15 14  1  6
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  1
 21 22  1  0
 21 23  1  0
 20 24  1  0
 24 25  2  0
 24 26  1  0
 26  7  1  0
 15 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32  3  1  0
 32 33  2  0
 30 34  1  6
 34 35  1  0
 34 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12517

> <plate>
PLATE 020

> <well>
E7

> <supplier_cmpd_name>
Romidepsin

> <ctcr_id>
723

> <supplier_cmpd_id>
T6006

> <smiles>
C/C=C/1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C

> <pd_targets>
{HDAC8,HDAC6,BRD4,HDAC9,HDAC1,HDAC2,HDAC4,HDAC3,NCOR2,HDAC7,NCOR1,HDAC10,HDAC11,HDAC5}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,Reader,"Histone deacetylase",Bromodomain,"HDAC class I","HDAC class IIb","HDAC class IIa","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,Mitotic,"RNA Polymerase II Transcription","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers
","Disorders of Developmental Biology","M Phase","Generic Transcription Pathway","SARS-CoV Infections","Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","Mitotic Metaphase and 
Anaphase","Transcriptional regulation by RUNX2","Potential therapeutics for SARS","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Pervasive developmental disorders","Transcriptional Regulation
 by TP53","Mitotic Anaphase","RUNX2 regulates bone development","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Se
paration of Sister Chromatids","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation","RUNX2 regulates chondrocyte ma
turation","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Romidepsin,FK228,Depsipeptide,Istodax,"Antibiotic FR 901228",FR901228,128517-07-7,128517077,Chromadax,FK-228,"FR 901228",FR-901228,NSC-630176,NSC630176,C24H36N4O6S2,"FK 228",CHEMBL343448,CHEBI:61080,
NSC754143,UNII-CX3T89XQBK,UNIICX3T89XQBK,"Istodax (TN)",CX3T89XQBK,H,T6006,754143,"NSC 754143"}

> <pdid>
PD054134

> <targets>
{Apoptosis,HDAC}

> <classes>
{HDAC inhibitor,Apoptosis,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{5352062}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.2111   -5.9837    0.0000 C   0  0
   -5.2189   -7.4837    0.0000 O   0  0
   -6.5065   -5.2274    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5627    0.0004    0.0000 C   0  0
   -3.8792    2.2803    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2810    2.2196    0.0000 C   0  0
   -0.0353    4.4996    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 16 18  2  0
  5 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24  4  1  0
 24 25  1  0
 24 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12518

> <plate>
PLATE 020

> <well>
E8

> <supplier_cmpd_name>
Bexarotene

> <ctcr_id>
6241

> <supplier_cmpd_id>
T6410

> <smiles>
Cc1cc2c(cc1C(=C)c3ccc(cc3)C(O)=O)C(C)(C)CCC2(C)C

> <pd_targets>
{RXRA,RXRB,RXRG,PPARG,RORC,RARA,BLM,KMT2A,MEN1,RARB,RECQL,RARG,CYP26A1,CYP26B1,NR1H2,NR4A2,NR1H3}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator","Nuclear receptor",Reader,"Cytochrome P450","Nuclear hormone receptor subfamily 2","Nuclear hormone receptor subfamily 1",Bromodomain,"Cytochrome 
P450 family 26","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group
 B","Cytochrome P450 family 26A","Nuclear hormone receptor subfamily 1 group H","Nuclear hormone receptor subfamily 2 group B member 1","Nuclear hormone receptor subfamily 2 group B member 2","Nuclear
 hormone receptor subfamily 2 group B member 3","Nuclear hormone receptor subfamily 1 group C member 3","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 gr
oup B member 1","Nuclear hormone receptor subfamily 1 group B member 2","Nuclear hormone receptor subfamily 1 group B member 3","Cytochrome P450 26A1","Nuclear hormone receptor subfamily 1 group H mem
ber 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","2B. Retinoid X receptors","1C. Peroxisome proliferator-activated receptors","1F. Retinoic acid-related orphans","1B. Retinoic acid rec
eptors",CYP24,"CYP26 and CYP27 families","1H. Liver X receptor-like receptors"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of proteins","DNA Repair","Metabolism of lipids","RNA Polymerase II Transcription","Post-translational protein modification","DNA Double-Stran
d Break Repair","Biological oxidations","Metabolism of steroids","Generic Transcription Pathway",SUMOylation,"Homology Directed Repair","Phase I - Functionalization of compounds","Bile acid and bile s
alt metabolism","Nuclear Receptor transcription pathway","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","SUMO E3 ligases SUMOylate target proteins","HDR through Homologous
 Recombination (HRR) or Single Strand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","Synthesis of bile acids and bile salts","MECP2 regulates transcription factors","RUNX3 Regulates 
Immune Response and Cell Migration","SUMOylation of intracellular receptors","HDR through Homologous Recombination (HRR)",Vitamins,"Synthesis of bile acids and bile salts via 27-hydroxycholesterol","H
omologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{RXRA,RXRB,RXRG}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{Bexarotene,153559-49-0,153559490,Targretin,Targrexin,LGD1069,"LGD 1069",LGD-1069,LG100069,UNII-A61RXM4375,UNIIA61RXM4375,Targretyn,"4-(1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl)benz
oic acid","4(1(3,5,5,8,8pentamethyl6,7dihydronaphthalen2yl)ethenyl)benzoic acid",166175-31-1,166175311,CHEMBL1023,"LG 100069",LG-100069,Targret,CHEBI:5,T6410,11571,bexarotene,BEXAROTENE}

> <pdid>
PD003617

> <targets>
{RXR AGONIST,Autophagy,RAR/RXR}

> <classes>
{Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{82146}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    7.6588    4.7959    0.0000 Cl  0  0
    4.1954   -3.3457    0.0000 C   0  0
    3.0226   -2.4104    0.0000 C   0  0
    3.0899   -0.9120    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 N   0  0
   -2.5245    2.0171    0.0000 C   0  0
   -3.9217    1.4715    0.0000 O   0  0
   -2.2987    3.5008    0.0000 C   0  0
   -3.4682    4.4402    0.0000 C   0  0
   -3.2395    5.9227    0.0000 C   0  0
   -1.8413    6.4659    0.0000 C   0  0
   -1.6095    7.9487    0.0000 N   0  0
   -0.2098    8.4902    0.0000 C   0  0
    0.9581    7.5489    0.0000 O   0  0
    0.0221    9.9730    0.0000 C   0  0
   -1.1474   10.9124    0.0000 C   0  0
   -0.9187   12.3949    0.0000 C   0  0
    0.4795   12.9380    0.0000 C   0  0
    1.6490   11.9987    0.0000 C   0  0
    1.4203   10.5163    0.0000 C   0  0
    2.5904    9.5766    0.0000 C   0  0
    2.3641    8.0936    0.0000 C   0  0
    3.5351    7.1562    0.0000 C   0  0
    4.9325    7.7016    0.0000 C   0  0
    5.1588    9.1845    0.0000 C   0  0
    3.9878   10.1219    0.0000 C   0  0
   -0.6718    5.5266    0.0000 C   0  0
   -0.9005    4.0441    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1695   -0.6090    0.0000 C   0  0
   -3.7175   -2.0053    0.0000 C   0  0
   -2.7822   -3.1781    0.0000 C   0  0
   -1.2990   -2.9545    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.5767   -2.8095    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 14 30  1  0
 30 31  2  0
 31 11  1  0
  8 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
 37 38  1  0
 38  5  2  0
 38 39  1  0
 39  3  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12519

> <plate>
PLATE 020

> <well>
E9

> <supplier_cmpd_name>
Conivaptan hydrochloride

> <ctcr_id>
1151

> <supplier_cmpd_id>
T6453

> <smiles>
Cl.Cc1[nH]c2CCN(C(=O)c3ccc(NC(=O)c4ccccc4c5ccccc5)cc3)c6ccccc6c2n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{AVPR1A,AVPR2}

> <broad_moa>
{"vasopressin receptor antagonist"}

> <synonyms>
{AKOS015895764,A810997,"Conivaptan hydrochloride",168626-94-6,168626946,"Conivaptan HCl",Vaprisol,"Conivaptan (hydrochloride)","YM 087",UNII-75L57R6X36,UNII75L57R6X36,"Conivaptan HCl (Vaprisol)",CI-10
25,CI1025,8626-94-6,8626946,CHEBI:31430,YM-087,YM087,75L57R6X36,C32H27ClN4O2,SMR00470,S2116}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{45108223,216322}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
   -0.9893   -3.8199    0.0000 C   0  0
    0.0379   -2.7268    0.0000 C   0  0
   -0.3956   -1.2908    0.0000 C   0  0
    1.4964   -3.0684    0.0000 C   0  0
    2.0925   -4.4448    0.0000 N   0  0
    3.5858   -4.3032    0.0000 N   0  0
    3.9126   -2.8392    0.0000 C   0  0
    5.2859   -2.2358    0.0000 C   0  0
    2.6417   -2.1061    0.0000 N   0  0
    1.8975   -0.8028    0.0000 C   0  0
    0.9488    0.0000    0.0000 C   0  0
   -0.8393    0.0000    0.0000 C   0  0
   -1.8063   -1.3319    0.0000 C   0  0
   -0.6568   -0.6386    0.0000 C   0  0
    0.0000    0.6568    0.0000 C   0  0
    1.6421    0.6933    0.0000 C   0  0
   -1.0947    1.4779    0.0000 N   0  0
   -1.8852    2.7402    0.0000 C   0  0
   -3.3851    2.6881    0.0000 C   0  0
   -4.1810    3.9605    0.0000 C   0  0
   -5.6809    3.9083    0.0000 N   0  0
   -6.4769    5.1807    0.0000 C   0  0
   -5.7729    6.5052    0.0000 O   0  0
   -7.9768    5.1286    0.0000 C   0  0
   -8.7742    6.3991    0.0000 C   0  0
  -10.2731    6.3439    0.0000 C   0  0
  -10.9749    5.0182    0.0000 C   0  0
  -11.7419    6.3072    0.0000 F   0  0
  -11.6452    3.6763    0.0000 F   0  0
  -10.1776    3.7476    0.0000 C   0  0
   -8.6786    3.8028    0.0000 C   0  0
   -3.4767    5.2857    0.0000 C   0  0
   -4.2700    6.5588    0.0000 C   0  0
   -3.5642    7.8824    0.0000 C   0  0
   -2.0650    7.9329    0.0000 C   0  0
   -1.2717    6.6599    0.0000 C   0  0
   -1.9775    5.3363    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 10  1  0
 15 17  1  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 31 24  1  0
 20 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12520

> <plate>
PLATE 020

> <well>
E10

> <supplier_cmpd_name>
Maraviroc

> <ctcr_id>
5215

> <supplier_cmpd_id>
T6016

> <smiles>
CC(C)c1nnc(C)n1C2CC3CCC(C2)N3CCC(NC(=O)C4CCC(F)(F)CC4)c5ccccc5

> <pd_targets>
{CCR5,KCNH2,KCNE1,KCNQ1,SLC47A1}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel",Transporter,"Family A G protein-coupled receptor","Voltage-gated ion channel","Electrochemical transporter","Peptide receptor (family A GPCR)","Potassium channels","
SLC superfamily of solute carriers","Chemokine receptor","Voltage-gated potassium channel","SLC47 family of multidrug and toxin extrusion transporters","CC chemokine receptor"}

> <pathway_chembl>
{Receptors,"Ion channels",Transporters,"G protein-coupled receptors","Voltage-gated ion channels","SLC superfamily of solute carriers","Chemokine receptors","Potassium channels","SLC47 family of multi
drug and toxin extrusion transporters","Voltage-gated potassium channels"}

> <pathway_reactome>
{Disease,"Muscle contraction","Transport of small molecules","Infectious disease","Cardiac conduction","SLC-mediated transmembrane transport","HIV Infection","Phase 3 - rapid repolarisation","Transpor
t of bile salts and organic acids","metal ions and amine compounds","HIV Life Cycle","Early Phase of HIV Life Cycle","Binding and entry of HIV virion"}

> <broad_targets>
{CCR5}

> <broad_moa>
{"CC chemokine receptor antagonist"}

> <synonyms>
{"Celsentri (Maraviroc)",SCHEMBL12611449,HMS3604L21,HMS3655P07,HMS3746O03,NCGC00389624-01,NCGC0038962401,FT-0654501,FT0654501,L001245,T6016,S2003,Maraviroc}

> <pdid>
PD009368

> <targets>
{CCR}

> <classes>
{Microbiology}

> <pubchem_cids>
{22570509}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    3.9051    0.7424    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 O   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    5.1830  -10.5134    0.0000 O   0  0
    7.7815  -10.5187    0.0000 N   0  0
    7.7794  -12.0195    0.0000 S   0  0
    9.0769  -12.7722    0.0000 O   0  0
    7.7766  -13.5195    0.0000 O   0  0
    6.4791  -12.7673    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
  4 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 21 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12521

> <plate>
PLATE 020

> <well>
E11

> <supplier_cmpd_name>
Selexipag

> <ctcr_id>
11209

> <supplier_cmpd_id>
T3216

> <smiles>
CC(C)N(CCCCOCC(=O)NS(=O)(=O)C)c1cnc(c(n1)c1ccccc1)c1ccccc1

> <pd_targets>
{PTGIR,PTGDR}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Lipid-like ligand receptor (family A GPCR)","Prostanoid receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Prostanoid receptors"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{PTGIR}

> <broad_moa>
{"IP1 prostacyclin receptor agonist","platelet aggregation inhibitor"}

> <synonyms>
{Selexipag,475086-01-2,475086012,NS-304,NS304,Uptravi,ACT-293987,ACT293987,"NS 304",UNII-5EXC0E384L,UNII5EXC0E384L,"ACT 293987",5EXC0E384L,NS-304;ACT-293987,NS304;ACT293987,"Selexipag (USAN:INN)","Upt
ravi (TN)",NS-304(Selexipag),NS304(Selexipag),Selexipag(NS-304),Selexipag(NS304),"Selexipag (JAN/USAN/INN)",SCHEMBL674122,CHEMB,T3216}

> <pdid>
PD008958

> <targets>
{Prostacyclin receptor,Prostaglandin Receptor}

> <classes>
{Others,GPCR/G Protein}

> <pubchem_cids>
{9913767}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 37  0  0  1  0            999 V2000
    8.8990   -3.2240    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -3.8813   -1.4408    0.0000 C   0  0  1  0  0  0
   -5.0460   -2.3579    0.0000 C   0  0  1  0  0  0
   -6.2823   -1.5085    0.0000 C   0  0  1  0  0  0
   -5.8565   -0.0702    0.0000 C   0  0  2  0  0  0
   -4.3570   -0.0307    0.0000 O   0  0
   -6.7712    1.1165    0.0000 C   0  0
   -8.2580    0.9183    0.0000 O   0  0
   -7.6935   -2.0117    0.0000 N   0  0
   -7.9647   -3.4878    0.0000 C   0  0
   -6.8223   -4.4598    0.0000 O   0  0
   -9.3784   -3.9919    0.0000 C   0  0  2  0  0  0
   -9.6495   -5.4680    0.0000 C   0  0
  -11.0632   -5.9721    0.0000 C   0  0
  -11.3364   -7.4471    0.0000 C   0  0
  -12.7503   -7.9480    0.0000 C   0  0
  -13.8910   -6.9740    0.0000 C   0  0
  -13.6179   -5.4991    0.0000 C   0  0
  -12.2040   -4.9982    0.0000 C   0  0
  -15.3067   -7.4723    0.0000 O   0  0
  -16.4461   -6.4967    0.0000 C   0  0
  -10.5208   -3.0199    0.0000 N   0  0
   -4.9973   -3.8571    0.0000 O   0  0
    6.3990   -3.2240    0.0000 Cl  0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  1  0
 14 13  1  1
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
 17 19  1  1
 19 20  1  0
 16 21  1  6
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 29 32  1  0
 32 33  1  0
 24 34  1  6
 15 35  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12522

> <plate>
PLATE 020

> <well>
F2

> <supplier_cmpd_name>
Puromycin dihydrochloride

> <ctcr_id>
11210

> <supplier_cmpd_id>
T2219

> <smiles>
Cl.CN(C)c1ncnc2c1ncn2[C@H]1[C@@H]([C@@H]([C@H](O1)CO)NC(=O)[C@H](Cc1ccc(cc1)OC)N)O.Cl

> <pd_targets>
{NPEPPS,ANPEP,RORC,TP53,HTT,CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein",Protease,"Nuclear receptor","Cytochrome P450","Metallo protease","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Metallo protea
se MAE clan","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Metallo protease M1 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","Nuclear hormone receptors","Cytochrome P450","MA: Metallo (M) Peptidases","1F. Retinoic acid-related orphans","CYP3 family","M1: Aminopeptidase N"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","Cell Cycle",Metabolism,"Adaptive Immune System","Innate Immune System","RNA Polymerase II Transcription","Cell Cycle Checkpoints","Metabolism of lip
ids","Class I MHC mediated antigen processing & presentation","Neutrophil degranulation","Generic Transcription Pathway","G1/S DNA Damage Checkpoints","Biosynthesis of specialized proresolving mediato
rs (SPMs)","Antigen processing: Ubiquitination & Proteasome degradation","Transcriptional regulation by RUNX3","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by MECP2","Biosynt
hesis of DHA-derived SPMs","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1 DNA Damage Response","Regulation of MECP2 expression and activity","Biosynthesis of maresins","Stabili
zation of p53","Biosynthesis of maresin-like SPMs","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{NHP2L1,RPL10L,RPL11,RPL13A,RPL15,RPL19,RPL23,RPL23A,RPL26L1,RPL3,RPL37,RPL8,RSL24D1}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{Q27286544,"Puromycin dihydrochloride",58-58-2,"Puromycin hydrochloride","Puromycin (Dihydrochloride)",UNII-PGN54228S5,"Puromycin 2HCl",PGN54228S5,MFCD00012691,"CL 16,536","P 638 dihydrochloride","Sty
lomycin dihydrochloride","3123L, dihydrochloride","Puromycin HCl","CL 13,900 dihydrochloride","Stylomycin hydrochloride","X 185",NCGC00094893-01,"NSC 3055","EINECS 200-387-8","CL16,536",AI3-26818,"pur
omycine dihydrochloride",CAS-58-58-2,SCHEMBL4317,DSSTox_CID_25861,DSSTox_RID_81181,DSSTox_GSID_45861,"Puromycin dihydrochloride from Streptomyces alboniger",C22H29N7O5.2HCl,CHEMBL2104870,DTXSID7045861
,HY-B1743A,Tox21_111352,AKOS024457973,CS-6857,FS-5016,"Puromycin dihydrochloride (animal free)",P-540,X3352,"Puromycin dihydrochloride.Cell cultured tested","Puromycin dihydrochloride from Streptomyce
s alboniger, >=98 (HPLC), powder",T2219}

> <pdid>
PD004400

> <targets>
{DNA synthesis,60S ribosome,Antibiotic,Bacterial}

> <classes>
{DNA Damage/DNA Repair,Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{443311}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
   12.2549    0.2674    0.0000 Cl  0  5
   -2.6395    3.8685    0.0000 O   0  0
   -1.3618    3.0827    0.0000 C   0  0
    0.0000    3.7710    0.0000 C   0  0
    1.0625    3.0827    0.0000 C   0  0
    1.0625    1.6760    0.0000 C   0  0
    2.3045    0.9727    0.0000 C   0  0
    2.3045   -0.4040    0.0000 C   0  0  1  0  0  0
    3.2622   -1.0625    0.0000 N   0  0
    3.2622   -1.9005    0.0000 C   0  0
    0.0000   -1.9005    0.0000 C   0  0
    0.0000   -0.4040    0.0000 C   0  0  1  0  0  0
   -1.3618   -1.1223    0.0000 C   0  0  1  0  0  0
   -2.5589    0.2394    0.0000 O   0  0
   -1.3618    1.6760    0.0000 C   0  0
    0.0000    0.9727    0.0000 C   0  0
   -1.3618   -2.5589    0.0000 C   0  0
   -2.6462   -3.3336    0.0000 C   0  0
    0.0000   -3.2772    0.0000 C   0  0
    1.0774   -2.5589    0.0000 C   0  0
    1.0774   -1.1373    0.0000 C   0  0  1  0  0  0
    2.3821   -1.8775    0.0000 O   0  0
    4.6577   -0.4958    0.0000 C   0  0
    5.8415   -1.4184    0.0000 C   0  0
    7.2549   -1.5708    0.0000 C   0  0
    6.3315   -2.7529    0.0000 C   0  0
    9.7549    0.2674    0.0000 H   0  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 12 11  1  1
 12 13  1  0
 13 14  1  6
 14 15  1  0
 15  3  1  0
 15 16  2  0
 16  6  1  0
 16 12  1  0
 13 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21  8  1  0
 21 12  1  0
 21 22  1  1
  9 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 24  1  0
M  CHG  2   1  -1  27   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12523

> <plate>
PLATE 020

> <well>
F3

> <supplier_cmpd_name>
Nalmefene hydrochloride

> <ctcr_id>
680

> <supplier_cmpd_id>
T6221

> <smiles>
[Cl-].Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O)CC6CC6.[H+]

> <pd_targets>
{OPRD1,OPRM1,OPRK1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Opioid receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Opioid receptors"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Signaling by GPCR","RNA Polymerase II Transcription","GPCR ligand binding","GPCR downstream signalling","Generic Transcription Pathway","Class
 A/1 (Rhodopsin-like receptors)","G alpha (i) signalling events","Transcriptional Regulation by MECP2","Peptide ligand-binding receptors","Opioid Signalling","MECP2 regulates neuronal receptors and ch
annels","G-protein activation"}

> <broad_targets>
{OPRD1,OPRK1,OPRM1}

> <broad_moa>
{"opioid receptor antagonist"}

> <synonyms>
{"Nalmefene hydrochloride",58895-64-0,58895640,"Nalmefene HCl",Nalmefenehydrochloride,UNII-K7K69QC05X,UNIIK7K69QC05X,K7K69QC05X,"Revex (TN)","JF-1 HYDROCHLORIDE","JF1 HYDROCHLORIDE",SCHEMBL628721,CHEM
BL1201152,DTXSID70891705,BCP08346,MFCD07772293,AKOS016340557,CCG-221179,CCG221179,HS,T6221,Prestw-1490}

> <pdid>
PD013331

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5388881,57506750}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 30  0  0  0  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -9.0976    3.7432    0.0000 F   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
   11.6003    2.2464    0.0000 O   0  0
   11.6003    0.7464    0.0000 C   0  0
   10.3010   -0.0032    0.0000 O   0  0
   12.9003   -0.0036    0.0000 C   0  0
   14.2003    0.7464    0.0000 C   0  0
   15.5003   -0.0036    0.0000 C   0  0
   15.5003   -1.5036    0.0000 O   0  0
   16.7995    0.7460    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
 10 20  1  0
 20 21  2  0
 21  7  1  0
 21 22  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12524

> <plate>
PLATE 020

> <well>
F4

> <supplier_cmpd_name>
Flupirtine maleate

> <ctcr_id>
7105

> <supplier_cmpd_id>
T6504

> <smiles>
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.OC(=O)\C=C\C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"D 9998",MLS006010189,SCHEMBL124708,SCHEMBL505668,HMS3884I11,s1334,AKOS015896217,CCG-268888,CCG268888,AS-11736,AS11736,SMR003875136,D9998,SW219388-1,SW2193881,S1334,"Flupirtine maleate"}

> <pdid>

> <targets>
{Antimetabolites}

> <classes>
{}

> <pubchem_cids>
{6536833}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0180    4.4680    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5990    4.4584    0.0000 C   0  0
   -3.8991    3.7085    0.0000 O   0  0
   -5.1990    4.4587    0.0000 C   0  0
   -6.4995    3.7111    0.0000 C   0  0
   -7.7971    4.4635    0.0000 C   0  0
   -7.7944    5.9635    0.0000 C   0  0
   -9.0912    6.7189    0.0000 C   0  0
   -9.0864    8.2197    0.0000 C   0  0
   -7.8683    9.0731    0.0000 S   0  0
   -8.3243   10.5021    0.0000 C   0  0
   -7.4362   11.7110    0.0000 O   0  0
   -9.8242   10.5101    0.0000 N   0  0
  -10.2953    9.0859    0.0000 C   0  0
  -11.7216    8.6215    0.0000 O   0  0
   -6.4940    6.7111    0.0000 C   0  0
   -5.1963    5.9587    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11  5  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  2  1  0
 14 15  1  0
  7 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 23  1  0
 28 29  2  0
 21 30  1  0
 30 31  2  0
 31 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12525

> <plate>
PLATE 020

> <well>
F5

> <supplier_cmpd_name>
Troglitazone

> <ctcr_id>
765

> <supplier_cmpd_id>
T3170

> <smiles>
Cc1c(C)c2OC(C)(CCc2c(C)c1O)COc3ccc(CC4SC(=O)NC4=O)cc3

> <pd_targets>
{MAOB,KMT2A,MEN1,PPARG,MAPT,RORC,ABCB11,PTPN1,NR1I2,RECQL,AKR1B1,MAOA,UGT1A6,MAPK1,ALOX15,CYP2C9,HTR2B,TBXAS1,ABCC4,CACNA1C,ADORA3,IDO1,CA2,ABCC3,IDO2,TRPM3,ACSL4,SERPINE1,SLC29A1,ESRRG,ESRRA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Other cytosolic protein",Transporter,"Membrane receptor","Ion channel","Unclassified protein","Secreted protein",Oxidoreductase,Reader,"Nuclear r
eceptor","Primary active transporter",Phosphatase,Transferase,Kinase,"Cytochrome P450","Family A G protein-coupled receptor","Voltage-gated ion channel",Lyase,"Electrochemical transporter",Bromodomain
,"Nuclear hormone receptor subfamily 1","ATP-binding cassette","Protein Phosphatase","Protein Kinase","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Cytochrome P450 family 5","V
oltage-gated calcium channel","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group F",
"ABCB subfamily","Tyrosine protein phosphatase","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase group","Cytochrome P450 family 2C","Monoamine receptor","Cytochrome P450 family 5A",
"ABCC subfamily","Nucleotide-like receptor (family A GPCR)","SLC28 and SLC29 families of nucleoside transporters","Nuclear hormone receptor subfamily 3 group B","Nuclear hormone receptor subfamily 1 g
roup C member 3","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group I member 2","CMGC protein kinase MAPK family","Cytochrome P450 2C9","Serotonin rece
ptor","Cytochrome P450 5A1","Adenosine receptor","SLC29 Facilitative nucleoside transporter family","Nuclear hormone receptor subfamily 3 group B member 3","Nuclear hormone receptor subfamily 3 group 
B member 1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Catecholamine turnover","Nuclear hormone receptors","ATP-binding cassette transporter family",Phosphatases,"1.-.-.- Oxidoreductases","Kinases (EC 2.7.x.
x)","Eicosanoid turnover","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","1.13.11.- Dioxygenases","Carbonic anhydrases","SLC superfamily of solute carriers","1C. Peroxiso
me proliferator-activated receptors","1F. Retinoic acid-related orphans","ABCB subfamily","Protein tyrosine phosphatases non-receptor type (PTPN)","1I. Vitamin D receptor-like receptors","CMGC: Contai
ning CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"CYP2 family: drug metabolising subset","5-Hydroxytryptamine receptors",CYP5,"CYP7 and CYP8 families","ABCC subfamily","Voltage-gated calcium channels"
,"Adenosine receptors","Transient Receptor Potential channels","SLC28 and SLC29 families of nucleoside transporters","3B. Estrogen-related receptors","Mitogen-activated protein kinases (MAP kinases)",
"SLC29 family","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Neuronal System","Metabolism of proteins","Immune System","Signal Transduction",Hemostasis,"Developmental Biology","Transport of small molecules","Biolog
ical oxidations","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Metabolism of lipids","Post-translational protein modification","Innate Immune System","Signaling by GPCR","
Platelet activation","signaling and aggregation","Nervous system development","Metabolism of amino acids and derivatives","O2/CO2 exchange in erythrocytes","Ion channel transport","Integration of ener
gy metabolism","SLC-mediated transmembrane transport","Phase I - Functionalization of compounds","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Meta
bolism of steroids",SUMOylation,"Phase II - Conjugation of compounds","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","Response to eleva
ted platelet cytosolic Ca2+","Axon guidance","Tryptophan catabolism","Erythrocytes take up carbon dioxide and release oxygen","Stimuli-sensing channels","Regulation of insulin secretion","Transport of
 vitamins",nucleosides,"and related molecules","Amine Oxidase reactions","Transcriptional Regulation by MECP2","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUN
X3","Bile acid and bile salt metabolism","SUMO E3 ligases SUMOylate target proteins","Metabolism of steroid hormones",Glucuronidation,"Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DPA-derived
 SPMs","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Platelet degranulation","NCAM signaling for neurite out-growth","TRP channels","Free fatty acids regulate 
insulin secretion","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane","Nuclear Receptor transcripti
on pathway","Transcriptional regulation by RUNX2","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","MECP2 regulates transcription factors","Post NMDA receptor activation even
ts","RUNX3 Regulates Immune Response and Cell Migration","Synthesis of bile acids and bile salts","MECP2 regulates neuronal receptors and channels","SUMOylation of intracellular receptors","Pregnenolo
ne biosynthesis","MyD88 cascade initiated on plasma membrane","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Amine ligand-binding receptors",Eicosanoids,"NCAM1 interactions","Nucleotide-like (purinergic) 
receptors","Recycling of bile acids and salts","Intracellular metabolism of fatty acids regulates insulin secretion","SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription","Regulation of RUNX2 expre
ssion and activity","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins 
and resolvins","CYP2E1 reactions","Serotonin receptors","Adenosine P1 receptors","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CYP2C8,PPARG,TRPM3}

> <broad_moa>
{"insulin sensitizer","PPAR receptor agonist"}

> <synonyms>
{RESTW146,troglitazone,97322-87-7,97322877,Rezulin,Romglizone,Prelay,CS-045,CS045,Romozin,Noscal,"CS 045","Rezulin (TN)","GR 92132X","CCRIS 8969",GR92132X,"CI 991",CI-991,CI991,GR-92132X,C24H27NO5S,CH
EBI:9753,"Troglitazone (CS-045)","Troglitazone (CS045)",NCGC00164445-01,NCGC0016444501,DSSTox_CID_3719,DSSToxCID3719,DSSTox-CID-3719,"DSSTox CID 3719",DSSTox_RI,DSSToxRI,DSSTox-RI,"DSSTox RI",T3170,Pr
estw-1467,Troglitazone}

> <pdid>
PD004285

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5591}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 46 45  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 O   0  0
   -6.4983    0.7413    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
   12.8854   -3.0074    0.0000 C   0  0
   11.5855   -3.7574    0.0000 C   0  0
   10.2855   -3.0074    0.0000 C   0  0
    8.9862   -3.7570    0.0000 O   0  0
   10.2855   -1.5074    0.0000 O   0  0
   14.1854   -3.7574    0.0000 C   0  0
   15.4847   -3.0078    0.0000 O   0  0
   14.1854   -5.2574    0.0000 O   0  0
   30.9692   -8.2644    0.0000 C   0  0
   29.6717   -7.5117    0.0000 C   0  0
   28.3713   -8.2595    0.0000 C   0  0
   29.6738   -6.0109    0.0000 N   0  0
   28.3756   -5.2578    0.0000 C   0  0
   28.3778   -3.7570    0.0000 C   0  0
   27.0795   -3.0039    0.0000 C   0  0
   27.0817   -1.5031    0.0000 O   0  0
   25.7835   -0.7500    0.0000 C   0  0
   25.7835    0.7500    0.0000 C   0  0
   24.4844    1.5000    0.0000 C   0  0
   23.1854    0.7500    0.0000 C   0  0
   23.1854   -0.7500    0.0000 C   0  0
   24.4844   -1.5000    0.0000 C   0  0
   21.8841    1.4977    0.0000 C   0  0
   20.5854    0.7455    0.0000 C   0  0
   19.2841    1.4932    0.0000 O   0  0
   17.9861    0.7413    0.0000 C   0  0
   29.6781   -3.0093    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
  6 19  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 20 25  1  0
 25 26  2  0
 25 27  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 36  1  0
 39 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 33 46  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12526

> <plate>
PLATE 020

> <well>
F6

> <supplier_cmpd_name>
Metoprolol Succinate

> <ctcr_id>
11211

> <supplier_cmpd_id>
T3165

> <smiles>
CC(C)NCC(COc1ccc(cc1)CCOC)O.C(CC(=O)O)C(=O)O.CC(C)NCC(COc1ccc(cc1)CCOC)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{FT-0628933,FT0628933,D00635,418M474,A845856,Q-201401,Q201401,Q27289962,"Metoprolol succinate, United States Pharmacopeia (USP) Reference Standard","Metoprolol succinate",98418-47-4,98418474,"Metropro
lol succinate","Metoprolol (Succinate)","Toprol XL","H 93/26",T3165,"Metoprolol Succinate"}

> <pdid>

> <targets>
{¦Â1-adrenergic receptor,Adrenergic Receptor}

> <classes>
{GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{62937}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 45  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 C   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2997    3.7504    0.0000 N   0  0
    1.3021    5.2504    0.0000 C   0  0
    2.6024    5.9984    0.0000 C   0  0
    3.9002    5.2463    0.0000 N   0  0
    3.8978    3.7463    0.0000 C   0  0
    2.5976    2.9984    0.0000 C   0  0
    5.2027    5.9920    0.0000 C   0  0
    5.2077    7.4920    0.0000 O   0  0
    6.5002    5.2377    0.0000 N   0  0
    7.8027    5.9834    0.0000 C   0  0
    9.1006    5.2313    0.0000 C   0  0
   10.4008    5.9793    0.0000 C   0  0
   10.4032    7.4793    0.0000 C   0  0
   11.7026    8.2303    0.0000 O   0  0
   11.7029    9.7311    0.0000 C   0  0
   13.0016   10.4817    0.0000 C   0  0
   10.4038   10.4809    0.0000 C   0  0
    9.1054    8.2313    0.0000 C   0  0
    7.8051    7.4834    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  5  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 26 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 35 40  1  0
 40 41  2  0
 41 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12527

> <plate>
PLATE 020

> <well>
F7

> <supplier_cmpd_name>
Tandutinib

> <ctcr_id>
4148

> <supplier_cmpd_id>
T1667

> <smiles>
COc1cc2c(cc1OCCCN3CCCCC3)ncnc2N4CCN(CC4)C(=O)Nc5ccc(OC(C)C)cc5

> <pd_targets>
{EGFR,CDK16,CLK1,NTRK1,PDGFRA,AURKC,PDGFRB,KIT,FLT3,ACVR1,STK10,HIPK4,PLK4,SRC,IRAK1,EPHB6,IRAK3,GAK,CDK7,KDR,SLK,CLK3,MERTK,MAP4K5,FLT4,FLT1,DDR1,AURKB,NTRK2,NTRK3,CLK4,CSF1R,LCK,DDR2,MAP2K5,CDKL2,AX
L,FGFR1,FGFR2,FGFR3,FGFR4,CLK2,MAP3K19,ITK,PDGFD}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","Other protein kinase group","TKL protein kinase group","STE protein kinase group","Tyrosin
e protein kinase EGFR family","CMGC protein kinase CDK family","CMGC protein kinase CLK family","Tyrosine protein kinase Trk family","Tyrosine protein kinase PDGFR family","Other protein kinase AUR fa
mily","TKL protein kinase STKR family","STE protein kinase STE20 family","CMGC protein kinase DYRK family","Other protein kinase PLK family","Tyrosine protein kinase Src family","TKL protein kinase IR
AK family","Other protein kinase NAK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Axl family","Tyrosine protein kinase DDR family","STE protein kinase STE7 family","CMGC pro
tein kinase CDKL family","Tyrosine protein kinase FGFR family","STE protein kinase STE11 family","Tyrosine protein kinase Tec family","CMGC protein kinase TAIRE subfamily","TKL protein kinase STKR1","
STE protein kinase SLK subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",
"TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","CLK family","Other protein kinases","TKL: Tyrosine kinase-like","STE20 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated ki
nase (DYRK) family","STE7 family","Cyclin-dependent kinase-like (CDKL) family","Receptor tyrosine kinases (RTKs)","TAIRE subfamily","Aurora kinase (Aur) family","Receptor serine/threonine kinase (RSTK
) family","SLK subfamily","HIPK subfamily","Polo-like kinase (PLK) family","Non-receptor tyrosine kinases (nRTKs)","Interleukin-1 receptor-associated kinase (IRAK) family","Numb-associated kinase (NAK
) family","CDK7 subfamily","KHS subfamily","STE20 subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type III RTKs: PDGFR",CSFR
,Kit,"FLT3 receptor family","Type I receptor serine/threonine kinases","Src family","Type XIII RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","
Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Tec family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System","Cell Cycle","Developmental Biology","Vesicle-mediated transport",Hemostasis,"Extracellular matrix organization","Gene expression (Transcription)","Signa
ling by GPCR","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Intracellular signaling by second messengers","Innate Immune 
System",Mitotic,"Nervous system development","Membrane Trafficking","Infectious disease","Cell surface interactions at the vascular wall","Non-integrin membrane-ECM interactions","RNA Polymerase II Tr
anscription","Adaptive Immune System","GPCR downstream signalling","Signaling by NTRKs","Signaling by PDGFR in disease","PIP3 activates AKT signaling","Signaling by KIT in disease","Signaling by Insul
in receptor","Neutrophil degranulation","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Axon guidance","trans-Golgi Network Vesicle Budding","HIV Infection","Signaling by VEGF","M Phase","Gene
ric Transcription Pathway","TCR signaling","Signaling by PDGF","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","Drug resistance of PDGFR mutants","Negative regulation of the PI3K/AKT netwo
rk","Drug resistance of KIT mutants","Insulin receptor signalling cascade","G2/M Transition","Toll Like Receptor 5 (TLR5) Cascade","EPH-Ephrin signaling","Toll Like Receptor 2 (TLR2) Cascade","Golgi A
ssociated Vesicle Biogenesis","HIV Life Cycle","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","Mitotic Metaphase and Anaphase","Signaling by NTRK3 (TRKC)","Transcriptional Regulation by VE
NTX","Host Interactions of HIV factors","Generation of second messenger molecules","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","Imatinib-resistant PDGFR mutants",PI5P,"PP2A
 and IER3 Regulate PI3K/AKT Signaling","Dasatinib-resistant KIT mutants","IRS-mediated signalling","Centrosome maturation","MyD88 cascade initiated on plasma membrane","EPHB-mediated forward signaling
","Toll Like Receptor TLR6:TLR2 Cascade","Late Phase of HIV Life Cycle","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization","Mitotic Anaphase","Activation of TR
KA receptors","Activated NTRK3 signals through PI3K","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERK5","EGFR Transactivation by Gastrin","Prolonged ERK activation ev
ents","PI3K Cascade","Loss of proteins required for interphase microtubule organization from the centrosome","Signalling to RAS","MAP kinase activation","MyD88:MAL(TIRAP) cascade initiated on plasma m
embrane","Transcription of the HIV genome","Separation of Sister Chromatids","NGF-independant TRKA activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin ad
apters","ARMS-mediated activation","Loss of Nlp from mitotic centrosomes","p38MAPK events","activated TAK1 mediates p38 MAPK activation","HIV Transcription Elongation","Nef Mediated CD4 Down-regulatio
n","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CSF1R,FLT3,KIT,PDGFD,PDGFRB}

> <broad_moa>
{"FLT3 inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{Tandutinib,387867-13-2,387867132,MLN-518,MLN518,CT53518,"Tandutinib (MLN518)","MLN 518","CT 53518",UNII-E1IO3ICJ9A,UNIIE1IO3ICJ9A,CT-53518,E1IO3ICJ9A,CHEMBL124660,CHEBI:90237,MLN-0518,MLN0518,MFCD099
54147,NCGC00241097-01,NCGC0024109701,D06005,DSSTox_CID_28873,DSSToxCID28873,DSSTox-CID-28873,"DSSTox CID 28873",DSSTox_RID_83142,DSSToxRID83142,DSSTox-RID-83142,"DSSTox RID 83142",DSST,T1667,S1043,tan
dutinib,TANDUTINIB}

> <pdid>
PD003630

> <targets>
{FLT-3,KIT,PDGFR,FLT3,Apoptosis,c-Kit}

> <classes>
{Apoptosis,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{3038522}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -5.1962    1.5000    0.0000 O   0  0
    6.4947   -3.7543    0.0000 O   0  0
    7.7945   -3.0041    0.0000 C   0  0  1  0  0  0
    9.0950   -3.7516    0.0000 C   0  0  1  0  0  0
   10.3927   -2.9992    0.0000 C   0  0  2  0  0  0
   10.3898   -1.4992    0.0000 C   0  0  1  0  0  0
    9.0894   -0.7516    0.0000 C   0  0  2  0  0  0
    7.7918   -1.5041    0.0000 O   0  0
    9.0897    0.7492    0.0000 C   0  0
   10.3884    1.4998    0.0000 O   0  0
   11.6875   -0.7467    0.0000 O   0  0
   11.6931   -3.7467    0.0000 O   0  0
    9.0979   -5.2516    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16  7  1  0
 16 17  2  0
 14 18  1  0
 12 19  1  0
  3 20  1  0
 21 20  1  6
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 25 27  1  6
 27 28  1  0
 24 29  1  1
 23 30  1  6
 22 31  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12528

> <plate>
PLATE 020

> <well>
F8

> <supplier_cmpd_name>
Sophoricoside

> <ctcr_id>
11212

> <supplier_cmpd_id>
T3233

> <smiles>
c1cc(ccc1c1coc2cc(cc(c2c1=O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

> <pd_targets>
{IL5,ALDH1A1,KDM4E,IL5RA}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,"Epigenetic regulator","Membrane receptor",Oxidoreductase,Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Catalytic receptors","1.14.11.- Histone demethylases","Cytokine receptor family","IL-3 receptor family"}

> <pathway_reactome>
{"Immune System",Metabolism,"Cytokine Signaling in Immune system","Biological oxidations","Signaling by Interleukins","Phase I - Functionalization of compounds",Interleukin-3,"Interleukin-5 and GM-CSF
 signaling","Ethanol oxidation","Interleukin receptor SHC signaling"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Sophoricoside,152-95-4,152954,"5',7'-Dihydroxy-4'-glucosyloxyisoflavone","5',7'Dihydroxy4'glucosyloxyisoflavone",UNII-J0407L5MGM,UNIIJ0407L5MGM,"Genistein sophoricoside",CHEMBL486626,J0407L5MGM,"4-(5
,7-dihydroxy-4-oxo-4H-chromen-3-yl)phenyl beta-D-glucopyranoside","4(5,7dihydroxy4oxo4Hchromen3yl)phenyl betaDglucopyranoside","Genistein sophoricoside (MI)",Sophor,T3233}

> <pdid>
PD056726

> <targets>
{Others}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{5321398}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 O   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8916    3.7585    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -2.5847    6.0040    0.0000 C   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
   -2.5796    7.5040    0.0000 O   0  0
    3.7990    1.1270    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  1  1  0
 10  5  1  0
  8 11  1  0
  7 12  1  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12529

> <plate>
PLATE 020

> <well>
F9

> <supplier_cmpd_name>
Higenamine Hydrochloride

> <ctcr_id>
11213

> <supplier_cmpd_id>
T3232

> <smiles>
C1CNC(c2cc(c(cc12)O)O)Cc1ccc(cc1)O.Cl

> <pd_targets>
{DRD4,DRD2,ADRB2}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Dopamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Dopamine receptors",Adrenoceptors}

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by GPCR","Infectious disease","GPCR ligand binding","Leishmania infection","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","A
mine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Dopamine receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{ADRB2}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{"Higenamine hydrochloride",11041-94-4,11041944,"Higenamine HCl","Demethylcoclaurine hydrochloride","Higenamine (hydrochloride)","1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochlor
ide","1(4hydroxybenzyl)1,2,3,4tetrahydroisoquinoline6,7diol hydrochloride","11041-94-4 (HCl)","11041944 (HCl)",MFCD01717353,6,T3232,Higenamine Hydrochloride}

> <pdid>
PD058767

> <targets>
{¦Â2-adrenergic receptor,Adrenergic Receptor}

> <classes>
{Neuroscience,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{165901}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    3.9000    2.2500    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.4992    0.7496    0.0000 O   0  0
   14.1961   -1.8965    0.0000 Br  0  0
   12.8971   -1.1465    0.0000 C   0  0
   12.8971    0.3535    0.0000 C   0  0
   14.1953    1.1066    0.0000 N   0  0
   14.1931    2.6075    0.0000 C   0  0
   15.4036    3.4715    0.0000 N   0  0
   14.9351    4.8965    0.0000 C   0  0
   13.4352    4.8912    0.0000 C   0  0
   12.9766    3.4631    0.0000 N   0  0
   11.5980    1.1035    0.0000 C   0  0
   10.2990    0.3535    0.0000 C   0  0
   10.2990   -1.1465    0.0000 C   0  0
    9.0000   -1.8965    0.0000 N   0  0
    9.0000   -3.3965    0.0000 C   0  0
   10.2990   -4.1465    0.0000 C   0  0
   11.5980   -3.3965    0.0000 N   0  0
   11.5980   -1.8965    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  2  0
  2  8  1  0
  8  9  1  0
  8 10  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 13 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 12  1  0
 27 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12530

> <plate>
PLATE 020

> <well>
F10

> <supplier_cmpd_name>
Brimonidine Tartrate

> <ctcr_id>
3021

> <supplier_cmpd_id>
T6422

> <smiles>
OC(C(O)C(O)=O)C(O)=O.Brc1c(NC2=NCCN2)ccc3nccnc13

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{70359-46-5,70359465,"5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-quinoxalinamine tartrate","5BromoN(4,5dihydro1Himidazol2yl)6quinoxalinamine tartrate","BRIMONIDINE TARTRATE","UK 14,304 tartrate","Brim
onidine D-tartrate","Brimonidine Dtartrate","70359-46-5 (tartrate)","70359465 (tartrate)","5-bromo-6-(2-imidazolin-2-ylamino)quinoxaline tartrate","5bromo6(2imidazolin2ylamino)quinoxaline tartrate",T6
422,S4266,"Brimonidine Tartrate"}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{11236066}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 F   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 N   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  6  8  2  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17  3  1  0
 17 11  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12531

> <plate>
PLATE 020

> <well>
F11

> <supplier_cmpd_name>
Enoxacin

> <ctcr_id>
1664

> <supplier_cmpd_id>
T0717L

> <smiles>
CCN1C=C(C(O)=O)C(=O)c2cc(F)c(nc12)N3CCNCC3

> <pd_targets>
{GYRA,GYRB,LMNA,ATP6V1B2,PARC,TOPB,TOP2A}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transporter,Isomerase,"Primary active transporter","F-type and V-type ATPases","V-type ATPase"}

> <pathway_chembl>
{Transporters,Enzymes,"F-type and V-type ATPases","DNA topoisomerases","V-type ATPase"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction",Mitotic,"Signaling by Receptor Tyrosine Kinases","M Phase","Signaling by Insulin receptor","Mitotic G1 phase and G1/S transition","Mitotic Metaphase and Anaphase","
Insulin receptor recycling","G0 and Early G1","Mitotic Anaphase","Transcription of E2F targets under negative control by DREAM complex","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelo
pe (NE) Reformation"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{74011-58-8,74011588,Penetrex,Enoxacine,Comprecin,AT-2266,AT2266,Bactidan,Enoxacino,Enoxacinum,Flumark,Enoxor,Almitil,CI-919,CI919,enofloxacin,"CI 919","Enoxacin (Penetrex)","PD 107779",PD-107779,PD10
7779,1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,1ethyl6fluoro4oxo7piperazin1yl1,8-naphthyridine-3-car,8naphthyridine3car,T0717L,T0717,1503215,Prestw-1401,Enoxacin,"Enoxacin Sesquihydrate",ENOXACIN}

> <pdid>
PD001045

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{28230148,3229}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 51 53  0  0  1  0            999 V2000
   -1.3072   -2.8927    0.0000 C   0  0  1  0  0  0
   -0.1547   -3.8529    0.0000 C   0  0  1  0  0  0
   -0.4100   -5.3311    0.0000 C   0  0  2  0  0  0
   -1.8178   -5.8490    0.0000 C   0  0
   -2.9702   -4.8888    0.0000 C   0  0  2  0  0  0
   -2.7149   -3.4107    0.0000 O   0  0
   -4.3780   -5.4068    0.0000 C   0  0
    0.7450   -6.2894    0.0000 N   0  0
    0.4937   -7.7682    0.0000 C   0  0
    2.1515   -5.7681    0.0000 C   0  0
    1.2530   -3.3350    0.0000 O   0  0
   -1.0487   -1.4143    0.0000 O   0  0
    0.3504   -0.9017    0.0000 C   0  0  2  0  0  0
    2.0850   -1.8666    0.0000 C   0  0  2  0  0  0
    3.0501   -0.7172    0.0000 C   0  0  1  0  0  0
    4.5282   -0.9774    0.0000 C   0  0  2  0  0  0
    5.4933    0.1720    0.0000 C   0  0
    5.1513    1.1117    0.0000 O   0  0
    6.9714   -0.0881    0.0000 O   0  0
    7.9365    1.0613    0.0000 C   0  0  1  0  0  0
    7.4235    2.4708    0.0000 C   0  0  2  0  0  0
    5.9454    2.7310    0.0000 C   0  0  1  0  0  0
    5.4323    4.1405    0.0000 C   0  0  2  0  0  0
    3.9542    4.4006    0.0000 N   0  0
    2.9891    3.2512    0.0000 C   0  0
    1.5110    3.5114    0.0000 C   0  0  1  0  0  0
    0.5459    2.3620    0.0000 C   0  0
    1.0590    0.9525    0.0000 C   0  0  1  0  0  0
    1.7689    2.2738    0.0000 O   0  0
    1.7478   -0.3800    0.0000 C   0  0
    0.9980    4.9209    0.0000 C   0  0
    6.3963    5.2897    0.0000 C   0  0
    5.3027    1.9648    0.0000 O   0  0
    6.8771    3.8678    0.0000 O   0  0
    8.8942    2.1760    0.0000 C   0  0
    9.4140    0.7976    0.0000 C   0  0
    9.9250   -0.6127    0.0000 C   0  0
    5.0413   -2.3869    0.0000 C   0  0
    2.0830    0.4305    0.0000 O   0  0
    0.6054    0.1678    0.0000 C   0  0  1  0  0  0
    0.0874    1.5755    0.0000 C   0  0
   -1.3907    1.8309    0.0000 C   0  0  2  0  0  0
   -2.3509    0.6785    0.0000 C   0  0  2  0  0  0
   -1.8330   -0.7293    0.0000 C   0  0  1  0  0  0
   -0.3549   -0.9846    0.0000 O   0  0
   -2.7932   -1.8817    0.0000 C   0  0
   -3.3363    0.8487    0.0000 O   0  0
   -2.8553    2.0469    0.0000 O   0  0
   -3.2467    2.9671    0.0000 C   0  0
   -0.4026    2.9594    0.0000 C   0  0
    2.3571   -3.3417    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  1
  3  8  1  1
  8  9  1  0
  8 10  1  0
  2 11  1  6
  1 12  1  1
 13 12  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 13  1  0
 28 29  1  1
 28 30  1  0
 26 31  1  1
 23 32  1  6
 22 33  1  6
 21 34  1  6
 21 35  1  0
 20 36  1  1
 36 37  1  0
 16 38  1  6
 15 39  1  6
 40 39  1  6
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 40  1  0
 44 46  1  1
 43 47  1  6
 42 48  1  0
 48 49  1  0
 42 50  1  1
 14 51  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12532

> <plate>
PLATE 020

> <well>
G2

> <supplier_cmpd_name>
Azathramycin

> <ctcr_id>
11214

> <supplier_cmpd_id>
T3265

> <smiles>
[C@@H]1([C@@H]([C@H](C[C@H](O1)C)N(C)C)O)O[C@@H]1[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@]([C@@H]([C@H](NC[C@@H](C[C@]1(O)C)C)C)O)(O)C)CC)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Azathramycin,"Azaerythromycin A",76801-85-9,76801859,UNII-4LSP9FJT5B,UNII4LSP9FJT5B,4LSP9FJT5B,"9-Deoxo-9a-aza-9a-homoerythromycin A","9Deoxo9aaza9ahomoerythromycin A","DESMETHYL AZITHROMYCIN","DD-Az
aerythromycin A","DDAzaerythromycin A",6-Demethylazithromycin,6Demethylazithromycin,desmethyl-azithromycin,desmethylazithromycin,10-Dihydro-10-deoxo-11-azaerythromyci,10Dihydro10deoxo11azaerythromyci,
T3265}

> <pdid>
PD012357

> <targets>
{Antibiotic,Bacterial}

> <classes>
{Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{9810601}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1929   -3.0062    0.0000 C   0  0
    5.1933   -1.5053    0.0000 C   0  0
    6.4928   -0.7545    0.0000 C   0  0
    6.4933    0.7455    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 C   0  0
    2.6837    4.3363    0.0000 C   0  0
    4.1755    4.1795    0.0000 C   0  0
    4.7856    2.8092    0.0000 C   0  0
    3.9040    1.5957    0.0000 C   0  0
    5.0572    5.3931    0.0000 Cl  0  0
    0.3114    2.9665    0.0000 C   0  0
   -0.6936    4.0776    0.0000 C   0  0
   -2.1612    3.7632    0.0000 C   0  0
   -3.1690    4.8741    0.0000 C   0  0
   -4.6351    4.5569    0.0000 C   0  0
   -5.0934    3.1286    0.0000 C   0  0
   -4.0856    2.0176    0.0000 C   0  0
   -2.6195    2.3348    0.0000 C   0  0
   -6.5594    2.8113    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    3.8976   -0.7553    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 15 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 26 29  1  0
 21 30  1  0
 30 13  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 12  1  0
 32 34  1  0
 11 35  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12533

> <plate>
PLATE 020

> <well>
G3

> <supplier_cmpd_name>
Lumefantrine

> <ctcr_id>
11215

> <supplier_cmpd_id>
T3266

> <smiles>
CCCCN(CCCC)CC(c1c2c3c(cc(cc3)Cl)/C(=C/c3ccc(cc3)Cl)/c2cc(c1)Cl)O

> <pd_targets>
{KCNH2,FFP,RORC}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Transcription factor","Voltage-gated ion channel",Transferase,"Nuclear receptor","Potassium channels","Nuclear hormone receptor subfamily 1","Voltage-gated potassium channel","N
uclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Ion channels",Receptors,"Voltage-gated ion channels","Nuclear hormone receptors","Potassium channels","1F. Retinoic acid-related orphans","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Muscle contraction","Gene expression (Transcription)","Cardiac conduction","RNA Polymerase II Transcription","Phase 3 - rapid repolarisation","Generic Transcription Pathway","Transcriptional regulat
ion by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{ATP1A1}

> <broad_moa>
{"antimalarial agent"}

> <synonyms>
{Lumefantrine,Benflumetol,82186-77-4,82186774,dl-Benflumelol,dlBenflumelol,"Lumefantrine, (+)-","Lumefantrine, (+)","Lumefantrine, (-)-","Lumefantrine, ()",UNII-ZUV4B00D9P,UNIIZUV4B00D9P,UNII-01NP22J3
SV,UNII01NP22J3SV,ZUV4B00D9P,GNF-Pf-1971,GNFPf1971,01NP22J3SV,CHEBI:156095,CPG-56695,CPG56695,MFCD05662268,"HSDB 7210",NCGC00167490-01,NCGC0016749001,DSSTox_CID_26663,DSSToxCID26663,DSSTox-CID-26663,"
DSSTox CID 26663",DS,T3266}

> <pdid>
PD000476

> <targets>
{Antiparasitic}

> <classes>
{Others}

> <pubchem_cids>
{6437380}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    1.2636   -2.2496    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5801    0.0303    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5800   -0.0305    0.0000 C   0  0
   -1.2638    2.2496    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8963   -3.7531    0.0000 N   0  0
   -3.8941   -5.2539    0.0000 C   0  0
   -2.5938   -6.0017    0.0000 O   0  0
   -5.1923   -6.0070    0.0000 C   0  0
   -5.1924   -7.5071    0.0000 C   0  0
   -6.4914   -8.2571    0.0000 C   0  0
   -7.7905   -7.5071    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 C   0  0
   -6.4915   -5.2571    0.0000 C   0  0
   -9.0917   -8.2549    0.0000 C   0  0
   -9.0943   -9.7549    0.0000 O   0  0
  -10.3897   -7.5031    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 21 23  2  0
 11 24  2  0
 24 25  1  0
 25 26  2  0
 26  2  1  0
 26  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12534

> <plate>
PLATE 020

> <well>
G4

> <supplier_cmpd_name>
Tamibarotene

> <ctcr_id>
5224

> <supplier_cmpd_id>
T6694

> <smiles>
CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12

> <pd_targets>
{RARA,RARB,CYP3A4,CYP26A1,RARG,KMT2A,MEN1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator","Nuclear receptor","Cytochrome P450",Reader,"Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cytochrome P450 family 26",Bromodom
ain,"Nuclear hormone receptor subfamily 1 group B","Cytochrome P450 family 3A","Cytochrome P450 family 26A","Nuclear hormone receptor subfamily 1 group B member 1","Nuclear hormone receptor subfamily 
1 group B member 2","Cytochrome P450 3A4","Cytochrome P450 26A1","Nuclear hormone receptor subfamily 1 group B member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","1B. Retinoic acid receptors","CYP3 family",CYP24,"CYP26 and CYP27 families"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)",Metabolism,"Post-translational protein modification","RNA Polymerase II Transcription","Metabolism of lipids","Biological oxidations",SUMOyl
ation,"Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","SUMO E3 ligases SUMOylate target proteins","Nuclear Recept
or transcription pathway","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","SUMOylation of intracellular receptors","Biosynthesis of maresins",Vitamins,"Biosynthesis o
f maresin-like SPMs"}

> <broad_targets>
{RARA,RARB}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{DSSTox_GSID_46853,DSSToxGSID46853,DSSTox-GSID-46853,"DSSTox GSID 46853",SMR002530320,"NSC 608000",CAS-94497-51-5,CAS94497515,"Tamibarotene (INN)",Tamibarotene,94497-51-5,94497515,"Am 80","retinobenzo
ic acid",AM-80,AM80,Am80,Amnolake,Tamibaro,Amnoid,"4-((5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl)benzoic acid","4((5,5,8,8tetramethyl6,7dihydronaphthalen2yl)carbamoyl)benzoic acid",UNII
,T6694,S4260}

> <pdid>
PD009345

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{108143}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 47  0  0  1  0            999 V2000
    6.5048    3.7616    0.0000 C   0  0
    7.8025    3.0093    0.0000 C   0  0
    9.1028    3.7571    0.0000 C   0  0
    9.1054    5.2571    0.0000 O   0  0
   10.4006    3.0048    0.0000 C   0  0
   10.3980    1.5048    0.0000 C   0  0
    9.0977    0.7571    0.0000 C   0  0
    7.7998    1.5093    0.0000 C   0  0
    6.5003    0.7584    0.0000 C   0  0
    5.2013    1.5084    0.0000 O   0  0
    6.4998   -0.7424    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0  1  0  0  0
    5.1999   -2.9940    0.0000 C   0  0
    3.9003   -3.7449    0.0000 S   0  0
    3.8999   -5.2457    0.0000 C   0  0
    2.6021   -5.9980    0.0000 C   0  0
    2.6047   -7.4980    0.0000 C   0  0
    3.9050   -8.2458    0.0000 C   0  0
    5.2028   -7.4935    0.0000 C   0  0
    5.2002   -5.9935    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7477    0.0000 O   0  0
   -1.2946   -3.7547    0.0000 N   0  0
   -1.2915   -5.2556    0.0000 C   0  0
   -2.5886   -6.0091    0.0000 C   0  0
   -1.2877   -6.7556    0.0000 C   0  0
    0.0093   -6.0025    0.0000 C   0  0
   14.2006    0.0060    0.0000 C   0  0
   14.2006   -1.4940    0.0000 S   0  0
   14.2006   -2.9940    0.0000 O   0  0
   12.9013   -2.2436    0.0000 O   0  0
   15.4998   -2.2436    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 12 11  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 12 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  0
 24 25  1  0
 26 25  1  6
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 31 30  1  6
 31 26  1  0
 31 32  1  0
 32 33  1  0
 33 24  1  0
 33 34  1  6
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 41 42  1  0
 42 43  1  0
 42 44  2  0
 42 45  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12535

> <plate>
PLATE 020

> <well>
G5

> <supplier_cmpd_name>
Nelfinavir Mesylate

> <ctcr_id>
400

> <supplier_cmpd_id>
T6001

> <smiles>
Cc1c(O)cccc1C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C.C[S](O)(=O)=O

> <pd_targets>
{PROTEASE,ALOX15,PGR,"HIV-1 PROTEASE",POL,ABCB1,CYP3A5,AR,MAPK3,CYP3A4,MAPK14,KCNH2,ABCB11,ALDH1A1,LEF,HIF1A,RORC,ADRB3,OPRD1,OPRK1,TACR2,TBXAS1,SLC22A1,KCNE1,KCNQ1,ADORA3,SLC6A2,SLC6A3,EGFR,ABCC4,CHR
M5,LCK,ABCB1A,FYN,OPRM1,ABCG2,SCN5A}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein",Transporter,"Ion channel","Membrane receptor",Protease,Oxidoreductase,"Nuclear receptor","Primary active transporter","Cytochrome P450",Kinase,"Vo
ltage-gated ion channel","Family A G protein-coupled receptor","Electrochemical transporter","Cysteine protease","Nuclear hormone receptor subfamily 3","Aspartic protease","ATP-binding cassette","Cyto
chrome P450 family 3","Protein Kinase","Potassium channels","Metallo protease","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cyto
chrome P450 family 5","SLC superfamily of solute carriers","Voltage-gated sodium channel","Cysteine protease PAC clan","Nuclear hormone receptor subfamily 3 group C","Aspartic protease AA clan","ABCB 
subfamily","Cytochrome P450 family 3A","CMGC protein kinase group","Voltage-gated potassium channel","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","Sh
ort peptide receptor (family A GPCR)","Cytochrome P450 family 5A","SLC22 family of organic cation and anion transporters","Nucleotide-like receptor (family A GPCR)","SLC06 neurotransmitter transporter
 family","TK protein kinase group","ABCC subfamily","ABCG subfamily","Cysteine protease C3A subfamily","Nuclear hormone receptor subfamily 3 group C member 3","Aspartic protease A2A subfamily","Cytoch
rome P450 3A5","Nuclear hormone receptor subfamily 3 group C member 4","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group
 F member 3","Adrenergic receptor","Opioid receptor","Neurokinin receptor","Cytochrome P450 5A1","Adenosine receptor","Tyrosine protein kinase EGFR family","Dopamine receptor","Acetylcholine receptor"
,"Tyrosine protein kinase Src family","CMGC protein kinase ERK1","CMGC protein kinase p38 subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Ion channels","Eicosanoid turnover","ATP-binding cassette transporter family","Cytochrome P450","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Voltage-gated ion c
hannels","G protein-coupled receptors","SLC superfamily of solute carriers","Catalytic receptors",Lipoxygenases,"ABCB subfamily","CYP3 family","Steroid hormone receptors","CMGC: Containing CDK",MAPK,G
SK3,"CLK families","Potassium channels","1F. Retinoic acid-related orphans",Adrenoceptors,"Opioid receptors","Tachykinin receptors",CYP5,"CYP7 and CYP8 families","SLC22 family of organic cation and an
ion transporters","Adenosine receptors","SLC6 neurotransmitter transporter family","Receptor kinases","ABCC subfamily","Dopamine receptors","Acetylcholine receptors (muscarinic)","ABCG subfamily","Vol
tage-gated sodium channels","3C. 3-Ketosteroid receptors","Mitogen-activated protein kinases (MAP kinases)","Voltage-gated potassium channels","Organic cation transporters (OCT)","Monoamine transporte
r subfamily","TK: Tyrosine kinase","ERK subfamily","p38 subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor fami
ly","Src family"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Immune System","Muscle contraction",Disease,"Cellular responses to external stimuli","Signal Transduction","Transport of small molecules",Hemostasis,"Dev
elopmental Biology","Metabolism of lipids","Abacavir transport and metabolism","Biological oxidations","RNA Polymerase II Transcription","Innate Immune System","Cardiac conduction","Infectious disease
","Cellular responses to stress","Signaling by GPCR","SLC-mediated transmembrane transport","Disorders of transmembrane transporters","Platelet activation","signaling and aggregation","Nervous system 
development","Biosynthesis of specialized proresolving mediators (SPMs)","Abacavir transmembrane transport","Phase I - Functionalization of compounds","Generic Transcription Pathway","Toll-like Recept
or Cascades","Phase 3 - rapid repolarisation","Metabolism of steroids","Uptake and actions of bacterial toxins","Cellular response to hypoxia","Leishmania infection","GPCR ligand binding","Transport o
f bile salts and organic acids","metal ions and amine compounds","SLC transporter disorders","GPCR downstream signalling","Response to elevated platelet cytosolic Ca2+","HIV Infection","Axon guidance"
,"Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX2","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Bile 
acid and bile salt metabolism","Ethanol oxidation","Uptake and function of anthrax toxins","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUN
X3","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by MECP2","Organic cation/anion/zwitterion transport","Defective SLC6A2 causes orthosta
tic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","G alpha (q) signalling events","Platelet degranulation","Host Interactions of HIV factors","G alpha (i) signall
ing events","L1CAM interactions","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"RUNX2 regulates bone development","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Synthesis of bile
 acids and bile salts","RUNX3 Regulates Immune Response and Cell Migration","Anti-inflammatory response favouring Leishmania parasite infection","Peptide ligand-binding receptors","MECP2 regulates neu
ronal receptors and channels",Eicosanoids,"Organic cation transport","Nucleotide-like (purinergic) receptors","Gastrin-CREB signalling pathway via PKC and MAPK","Amine ligand-binding receptors","The r
ole of Nef in HIV-1 replication and disease pathogenesis","Opioid Signalling","Interaction between L1 and Ankyrins","Biosynthesis of DPAn-3-derived protectins and resolvins","RUNX2 regulates osteoblas
t differentiation","MAP kinase activation","Biosynthesis of maresin-like SPMs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","ADORA2B mediated anti-inflammatory cytokines prod
uction","Tachykinin receptors bind tachykinins","Adenosine P1 receptors","EGFR Transactivation by Gastrin","Muscarinic acetylcholine receptors","Nef-mediates down modulation of cell surface receptors 
by recruiting them to clathrin adapters","Nef and signal transduction","G-protein activation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","ERK/MAPK target
s","Activation of the AP-1 family of transcription factors","ERKs are inactivated"}

> <broad_targets>
{CYP1A2,CYP2B6,CYP2C19,CYP2C9,CYP2D6,CYP3A4,CYP3A7}

> <broad_moa>
{"HIV protease inhibitor"}

> <synonyms>
{"Nelfinavir mesylate",159989-65-8,159989658,Viracept,"Nelfinavir mesilate","Nelfinavir mesylate hydrate","Nelfinavir Methanesulfonate",AG1343,UNII-98D603VP8V,UNII98D603VP8V,AG-1343,CHEBI:7497,98D603V
P8V,MFCD00931436,"Viracept (TN)",NFV,DSSTox_CID_10777,DSSToxCID10777,DSSTox-CID-10777,"DSSTox CID 10777",DSSTox_RID_790,DSSToxRID790,DSSTox-RID-790,"DSSTox RID 790",T6001,SAM001246655,"Nelfinavir Mesy
late",CPD000469186}

> <pdid>
PD008635

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{64142,10699576}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 C   0  0
   -6.4773   -3.7652    0.0000 C   0  0
   -9.0751   -3.7791    0.0000 O   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 15 20  1  0
 20 21  2  0
 21 12  1  0
 11 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12536

> <plate>
PLATE 020

> <well>
G6

> <supplier_cmpd_name>
Bisacodyl

> <ctcr_id>
6240

> <supplier_cmpd_id>
T6414

> <smiles>
CC(=O)Oc1ccc(cc1)C(c2ccc(OC(C)=O)cc2)c3ccccn3

> <pd_targets>
{TSHR,HIF1A,STAT6,ABCB11,GPR55,GPR35,KDM4E,CYP3A4,LMNA,LEF,CYP2C9,OPRK1,SLC6A3}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Transporter,"Epigenetic regulator",Enzyme,"Other nuclear protein","Family A G protein-coupled receptor","Primary active transporter",Eraser,"Cytochrome P450
",Protease,"Electrochemical transporter","Peptide receptor (family A GPCR)","ATP-binding cassette","Small molecule receptor (family A GPCR)","Lysine demethylase","Cytochrome P450 family 3","Metallo pr
otease","Cytochrome P450 family 2","SLC superfamily of solute carriers","Glycohormone receptor","ABCB subfamily","Lipid-like ligand receptor (family A GPCR)","Carboxylic acid receptor","Jumonji domain
-containing","Cytochrome P450 family 3A","Metallo protease MAE clan","Cytochrome P450 family 2C","Short peptide receptor (family A GPCR)","SLC06 neurotransmitter transporter family","Lysophosphatidyli
nositol receptor","Kynurenic acid receptor","Cytochrome P450 3A4","Metallo protease M34 family","Cytochrome P450 2C9","Opioid receptor"}

> <pathway_chembl>
{Receptors,"Other protein targets",Transporters,Enzymes,"G protein-coupled receptors","Transcription factors","ATP-binding cassette transporter family","Chromatin modifying enzymes","Cytochrome P450",
"SLC superfamily of solute carriers","Glycoprotein hormone receptors","STAT transcription factors","ABCB subfamily","Orphan and other 7TM receptors","1.14.11.- Histone demethylases","CYP3 family","CYP
2 family: drug metabolising subset","Opioid receptors","SLC6 neurotransmitter transporter family","Class A Orphans","Monoamine transporter subfamily"}

> <pathway_reactome>
{Disease,"Cellular responses to external stimuli","Immune System",Metabolism,"Signal Transduction","Cell Cycle","Gene expression (Transcription)","Infectious disease","Cellular responses to stress","I
nnate Immune System","Metabolism of lipids","Signaling by GPCR",Mitotic,"Biological oxidations","RNA Polymerase II Transcription","Disorders of transmembrane transporters","Leishmania infection","Cell
ular response to hypoxia","Cytosolic sensors of pathogen-associated DNA","Metabolism of steroids","GPCR downstream signalling","GPCR ligand binding","Biosynthesis of specialized proresolving mediators
 (SPMs)","M Phase","Uptake and actions of bacterial toxins","Phase I - Functionalization of compounds","Generic Transcription Pathway","SLC transporter disorders","Leishmania parasite growth and survi
val","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","STING mediated induction of host immune responses","Bile acid and bile salt metabolism","G alpha (i) signalling events"
,"Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","Cytochrome P450 - arranged by substrate type","Tran
scriptional Regulation by MECP2","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Anti-inflammatory response favouring Leishmania parasite infection","STAT6-mediated induction of che
mokines","Synthesis of bile acids and bile salts","Biosynthesis of maresins","Mitotic Anaphase",Xenobiotics,"MECP2 regulates neuronal receptors and channels","ADORA2B mediated anti-inflammatory cytoki
nes production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Initiation of Nuclear 
Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{laxative}

> <synonyms>
{603-50-9,603509,Dulcolax,Brocalax,Bicol,Durolax,Fenilaxan,Sanvacual,Dulcolan,Endokolat,Hillcolax,Stadalax,Theralax,Eulaxan,Godalax,Ivilax,Laxadin,Laxans,Laxine,Laxorex,Neolax,Nigalax,Pyrilax,Telemin,
Zetrax,Sk-bisacodyl,Skbisacodyl,"Laxanin N",LACO,Pheno,T6414,NSC614826,1500147,Prestw-419,"NSC 614826",Bisacodyl,BISACODYL,"Bisacodyl, active ingredient of Viraplex"}

> <pdid>
PD002452

> <targets>
{}

> <classes>
{cathartic}

> <pubchem_cids>
{2391}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 41  0  0  0  0            999 V2000
    7.7808  -10.5183    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  3
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -14.2989    0.7273    0.0000 C   0  0
  -15.6002    1.4750    0.0000 N   0  3
  -16.8993    0.7251    0.0000 C   0  0
  -18.1984    1.4750    0.0000 C   0  0
  -18.1984    2.9750    0.0000 C   0  0
  -16.8994    3.7251    0.0000 C   0  0
  -15.6003    2.9751    0.0000 C   0  0
  -19.4967    3.7281    0.0000 N   0  0
  -19.4946    5.2289    0.0000 C   0  0
  -20.7928    5.9820    0.0000 C   0  0
  -20.7907    7.4828    0.0000 C   0  0
  -22.0889    8.2358    0.0000 C   0  0
  -22.0868    9.7367    0.0000 C   0  0
  -23.3850   10.4897    0.0000 C   0  0
  -23.3829   11.9905    0.0000 C   0  0
  -24.6805   12.7432    0.0000 C   0  0
   12.7815    1.1124    0.0000 Cl  0  5
   10.2815    1.1124    0.0000 Cl  0  5
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 29 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
M  CHG  4  13   1  26   1  41  -1  42  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12537

> <plate>
PLATE 020

> <well>
G7

> <supplier_cmpd_name>
Octenidine Dihydrochloride

> <ctcr_id>
11216

> <supplier_cmpd_id>
T3287

> <smiles>
CCCCCCCCNc1cc[n+](cc1)CCCCCCCCCC[n+]1ccc(cc1)NCCCCCCCC.[Cl-].[Cl-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{64690-21-7,64690217,"1,1'-(1,10-Decanediyl)bis(4-(octylamino)pyridinium) dichloride","1,1'(1,10Decanediyl)bis(4(octylamino)pyridinium) dichloride","EINECS 265-020-6","EINECS 2650206","1,10-Bis(4-(oct
ylamino)-1-pyridinium)decane dichloride","1,10Bis(4(octylamino)1pyridinium)decane dichloride","Pyridinium, 1,1'-(1,10-decanediyl)bis(4-(octylamino)-, dichloride","Pyridinium, 1,1'(1,10decanediyl)bis(4
(octylamino), dichloride",C36H64,T3287,"Octenidine Dihydrochloride"}

> <pdid>

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{198481}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  5
   -3.8990    0.7455    0.0000 S   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -2.5988   -0.0025    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4978    0.7405    0.0000 C   0  0
   -7.7984    1.4878    0.0000 C   0  0
   -7.8015    2.9878    0.0000 C   0  0
   -6.5040    3.7405    0.0000 C   0  0
   -5.2034    2.9932    0.0000 C   0  0
   -9.1021    3.7352    0.0000 N   0  0
    3.7990    1.1203    0.0000 Ag  0  3
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
M  CHG  2   7  -1  18   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12538

> <plate>
PLATE 020

> <well>
G8

> <supplier_cmpd_name>
Silver sulfadiazine

> <ctcr_id>
11217

> <supplier_cmpd_id>
T3279

> <smiles>
c1cnc(nc1)[N-]S(=O)(=O)c1ccc(cc1)N.[Ag+]

> <pd_targets>
{ALD,TGR,FFP,REP,HPGD,PYK,PKM,FOLP}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","Eicosanoid turnover","2.7.1.40 Pyruvate kinases","Viral protein targets","Prostaglandin synthases","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,Metabolism,"Infectious disease","Metabolism of lipids","Metabolism of carbohydrates","SARS-CoV Infections","Biosynthesis of specialized proresolving mediators (SPMs)","Glucose metabolism","SA
RS-CoV-2 Infection","Biosynthesis of DHA-derived SPMs",Glycolysis,"SARS-CoV-2 Genome Replication and Transcription","Biosynthesis of D-series resolvins","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"silver sulfadiazine",22199-08-2,22199082,"SULFADIAZINE SILVER",Flamazine,"Sulfadiazine silver salt",Silvadene,"Silver sulphadiazine",Thermazene,"Sulfadiazine, silver","silver sulfadiazinate",UNII-W4
6JY43EJR,UNIIW46JY43EJR,SSD,W46JY43EJR,silver;(4-aminophen,silver;(4aminophen,T3279,"Silver sulfadiazine"}

> <pdid>
PD009335

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{441244}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 S   0  0
   -2.6017    2.9971    0.0000 O   0  0
   -1.3015    2.2494    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6076    5.9975    0.0000 C   0  0
   -2.6107    7.4975    0.0000 C   0  0
   -1.3132    8.2502    0.0000 C   0  0
   -0.0126    7.5029    0.0000 C   0  0
   -0.0095    6.0029    0.0000 C   0  0
   -1.3163    9.7502    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12539

> <plate>
PLATE 020

> <well>
G9

> <supplier_cmpd_name>
Sulfisomidine

> <ctcr_id>
11218

> <supplier_cmpd_id>
T3288

> <smiles>
Cc1cc(nc(n1)C)NS(=O)(=O)c1ccc(cc1)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{antibacterial}

> <synonyms>
{SULFISOMIDINE,sulfisomidin,Sulfaisodimidine,515-64-0,515640,Sulphasomidine,Sulfasomidine,Sulfadimetine,"4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide","4aminoN(2,6dimethylpyrimidin4yl)benz
enesulfonamide",Sulfaisodimerazine,Elkosin,Domian,Sulfaisodimidinum,Solfisomidina,Aristamid,Aristogyn,T3288,Sulfisomidine}

> <pdid>
PD000502

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{5343}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 37  0  0  0  0            999 V2000
   13.8990    3.3937    0.0000 H   0  3
   11.3990    3.3937    0.0000 H   0  3
    8.8990    3.3937    0.0000 Cl  0  5
    6.3990    3.3937    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -3.8916    3.7585    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -2.5847    6.0040    0.0000 N   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
   -2.5775    7.5047    0.0000 C   0  0
   -1.2740    8.2485    0.0000 C   0  0
    0.0228    7.4945    0.0000 C   0  0
    1.3242    8.2405    0.0000 C   0  0
    1.3288    9.7405    0.0000 C   0  0
    2.6301   10.4865    0.0000 F   0  0
    0.0321   10.4945    0.0000 C   0  0
   -1.2693    9.7485    0.0000 C   0  0
   -3.8739    8.2610    0.0000 C   0  0
   -5.1779    7.5195    0.0000 C   0  0
   -6.4720    8.2780    0.0000 C   0  0
   -6.4622    9.7779    0.0000 C   0  0
   -7.7563   10.5364    0.0000 F   0  0
   -5.1583   10.5194    0.0000 C   0  0
   -3.8642    9.7610    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 18 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 26  1  0
 10 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  2  0
 36  7  1  0
 36 37  1  0
 37 38  1  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12540

> <plate>
PLATE 020

> <well>
G10

> <supplier_cmpd_name>
Lomerizine hydrochloride

> <ctcr_id>
5751

> <supplier_cmpd_id>
T6571

> <smiles>
[H+].[H+].[Cl-].[Cl-].COc1ccc(CN2CCN(CC2)C(c3ccc(F)cc3)c4ccc(F)cc4)c(OC)c1OC

> <pd_targets>
{FFP,HTT,LMNA,RCE1,CACNA1B,CACNA2D1,CACNB1,ABCB1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other nuclear protein","Ion channel",Transporter,Transferase,"Voltage-gated ion channel","Primary active transporter","Voltage-gated calcium channel","ATP-binding casse
tte","ABCB subfamily"}

> <pathway_chembl>
{"Ion channels",Transporters,"Voltage-gated ion channels","ATP-binding cassette transporter family","Voltage-gated calcium channels","ABCB subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","Neuronal System",Metabolism,"RNA Polymerase II Transcription",Mitotic,"Transmission across Chemical Synapses","Abacavir transport and metabolism","Gene
ric Transcription Pathway","M Phase","Presynaptic depolarization and calcium channel opening","Abacavir transmembrane transport","Transcriptional Regulation by MECP2","Mitotic Metaphase and Anaphase",
"Regulation of MECP2 expression and activity","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CACNA1B,SCN5A}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"Lomerizine hydrochloride",101477-54-7,101477547,"Lomerizine dihydrochloride","Lomerizine HCl",KB-2796,KB2796,"LOMERIZINE 2HCL",UNII-3W473D5LIY,UNII3W473D5LIY,3W473D5LIY,MFCD01703867,Terranas,DSSTox_
CID_26427,DSSToxCID26427,DSSTox-CID-26427,"DSSTox CID 26427",DSSTox_RID_81605,DSSToxRID81605,DSSTox-RID-81605,"DSSTox RID 81605",DSSTox_GSID_46427,DSSToxGSID46427,DSSTox-GSID-46427,"DSSTox GSID 46427"
,"KB 2796",CAS-101477-54-7,CAS101477547,S4084}

> <pdid>
PD013067

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{67108292,122125}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  7  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    1.3000    2.2500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.1992    0.0004    0.0000 O   0  0
    3.9000    2.2500    0.0000 O   0  5
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  CHG  2   2   1   8  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12541

> <plate>
PLATE 020

> <well>
G11

> <supplier_cmpd_name>
Betaine

> <ctcr_id>
11219

> <supplier_cmpd_id>
T3243

> <smiles>
C[N+](C)(C)CC(=O)[O-]

> <pd_targets>
{TSHR,AMPC,ALDH1A1,LMNA,BHMT,BHMT2}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein","Family A G protein-coupled receptor",Hydrolase,Oxidoreductase,Transferase,"Peptide receptor (family A GPCR)","Glycohormone receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Glycoprotein hormone receptors"}

> <pathway_reactome>
{Disease,Metabolism,"Cell Cycle","Infectious disease","Biological oxidations",Mitotic,"Leishmania infection","Phase I - Functionalization of compounds","M Phase","Leishmania parasite growth and surviv
al","Ethanol oxidation","Mitotic Metaphase and Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","ADORA2B mediated anti-inflammatory cytokines productio
n","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{betaine,107-43-7,107437,"glycine betaine",oxyneurine,lycine,Trimethylglycine,Abromine,Trimethylglycocoll,"Glycocoll betaine",Glycylbetaine,"Rubrine C",acidin-pepsin,acidinpepsin,alpha-Earleine,alphaE
arleine,Cystadane,Jortaine,"N,N,N-trimethylglycine","N,N,Ntrimethylglycine","Trimethylaminoacetic acid",L,T3243,Betaine}

> <pdid>
PD009238

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{247}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 43  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6131   -7.4988    0.0000 C   0  0
   -3.9147   -8.2443    0.0000 N   0  0
   -5.2111   -7.4898    0.0000 C   0  0
   -5.2060   -5.9898    0.0000 C   0  0
   -3.9043   -5.2443    0.0000 O   0  0
   -3.9230   -9.7451    0.0000 C   0  0
   -5.2264  -10.4892    0.0000 C   0  0
   -5.2368  -11.9892    0.0000 C   0  0
   -6.5410  -12.7302    0.0000 C   0  0
   -7.8349  -11.9712    0.0000 C   0  0
   -9.1390  -12.7122    0.0000 F   0  0
   -7.8245  -10.4712    0.0000 C   0  0
   -6.5203   -9.7302    0.0000 C   0  0
    9.0003   -4.1236    0.0000 O   0  0
    9.0003   -5.6236    0.0000 C   0  0
    7.7010   -6.3731    0.0000 O   0  0
   10.3003   -6.3736    0.0000 C   0  0
   11.6003   -5.6236    0.0000 C   0  0
   12.8989   -6.3744    0.0000 O   0  0
   11.6017   -4.1227    0.0000 C   0  0
   12.9017   -3.3727    0.0000 C   0  0
   14.2003   -4.1236    0.0000 O   0  0
   12.9031   -1.8727    0.0000 O   0  0
   11.6015   -7.1535    0.0000 C   0  0
   10.3028   -7.9041    0.0000 O   0  0
   12.9007   -7.9033    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  4  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 18 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 23  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 34 40  1  0
 40 41  1  0
 40 42  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12542

> <plate>
PLATE 020

> <well>
H2

> <supplier_cmpd_name>
Mosapride Citrate

> <ctcr_id>
1324

> <supplier_cmpd_id>
T6597

> <smiles>
CCOc1cc(N)c(Cl)cc1C(=O)NCC2CN(CCO2)Cc3ccc(F)cc3.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Mosapride citrate",112885-42-4,112885424,AS-4370,AS4370,Gasmotin,"Mosapride (citrate)",TAK-370,TAK370,Gasmot,DSSTox_CID_26207,DSSToxCID26207,DSSTox-CID-26207,"DSSTox CID 26207",DSSTox_RID_81436,DSST
oxRID81436,DSSTox-RID-81436,"DSSTox RID 81436",DSSTox_GSID_46207,DSSToxGSID46207,DSSTox-GSID-46207,"DSSTox GSID 46207",CAS-112885-42-4,CAS112885424,C21H25ClFN3O3.C6H8O7,MLS006011997,C27H33ClFN3O10,SCH
EMBL258620,CHEMBL17331,T6597,S1385,SAM001246713,"Mosapride Citrate",CPD000469200}

> <pdid>

> <targets>
{"5-HT Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{119583}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -3.8964   -0.7553    0.0000 C   0  0
   -5.1931   -1.5094    0.0000 C   0  0
   -5.1885   -3.0094    0.0000 C   0  0
   -3.8871   -3.7554    0.0000 C   0  0
   -2.5904   -3.0014    0.0000 C   0  0
   -2.5951   -1.5014    0.0000 C   0  0
   -3.8793   -5.2562    0.0000 O   0  0
   -2.5762   -6.0007    0.0000 C   0  0
   -2.5684   -7.5015    0.0000 C   0  0
   -1.2660   -8.2456    0.0000 O   0  0
   -2.6061    2.9986    0.0000 C   0  0
   -3.9082    3.7448    0.0000 C   0  0
   -3.9139    5.2448    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  8 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
  7 25  1  0
 25 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12543

> <plate>
PLATE 020

> <well>
H3

> <supplier_cmpd_name>
Ospemifene

> <ctcr_id>
11220

> <supplier_cmpd_id>
T6620

> <smiles>
c1ccc(cc1)/C(=C(/c1ccccc1)\c1ccc(cc1)OCCO)/CCCl

> <pd_targets>
{ESR1,ESR2}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subfamily 3 group A member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3A. Estrogen receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","RUNX1 regulates estrogen receptor mediated transcription"}

> <broad_targets>
{ESR1,ESR2}

> <broad_moa>
{"selective estrogen receptor modulator (SERM)"}

> <synonyms>
{Ospemifene,128607-22-7,128607227,Osphena,FC-1271a,FC1271a,senshio,Deamino-hydroxytoremifene,Deaminohydroxytoremifene,"2-(4-(4-chloro-1,2-diphenyl-but-1-enyl)phenoxy)ethanol","2(4(4chloro1,2diphenylbu
t1enyl)phenoxy)ethanol",Fc-1271,Fc1271,UNII-B0P231ILBK,UNIIB0P231ILBK,"2-(p-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)ethanol","2(p((Z)4Chloro1,2diphenyl1butenyl)phenoxy)ethanol","CCRIS 9205",B0P23
1ILBK,CHEBI,T6620}

> <pdid>
PD009346

> <targets>
{ER}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{3036505}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 11  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 N   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 S   0  0
   10.3999    0.0000    0.0000 P   0  0
   10.3999   -1.5000    0.0000 O   0  0
   11.6988   -0.7502    0.0000 O   0  0
   11.6992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12544

> <plate>
PLATE 020

> <well>
H4

> <supplier_cmpd_name>
Amifostine

> <ctcr_id>
6193

> <supplier_cmpd_id>
T3289

> <smiles>
NCCCNCCS[P](O)(O)=O

> <pd_targets>
{CHRM1,DRD3,ALPG}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Family A G protein-coupled receptor",Phosphatase,"Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor","Dopamine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)","Dopamine receptors"}

> <pathway_reactome>
{"Signal Transduction","Metabolism of proteins","Signaling by GPCR","Post-translational protein modification","GPCR ligand binding","Post-translational modification: synthesis of GPI-anchored proteins
","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine receptors","Dopamine receptors"}

> <broad_targets>
{ALPPL2,ENPP1}

> <broad_moa>
{"reducing agent"}

> <synonyms>
{DSSTox_GSID_22585,DSSToxGSID22585,DSSTox-GSID-22585,"DSSTox GSID 22585",amifostine,20537-88-6,20537886,Ethiofos,Gammaphos,Ethyol,Sapep,Apaetp,"Aminopropylaminoethyl thiophosphate","WR 2721",NSC-29696
1,NSC296961,YM-08310,YM08310,"2-(3-Aminopropylamino)ethyl thiophosphate","2(3Aminopropylamino)ethyl thiophosphate",AU-95722,AU95722,UNII-ILA426L95O,UNIIILA426L95O,"Amifostine (Hydra",T3289,296961,Pres
tw-1489,"NSC 296961",Amifostine}

> <pdid>
PD001085

> <targets>
{}

> <classes>
{"Radiation-Protective Agents"}

> <pubchem_cids>
{29927142,2141}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 43  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.5993    0.0004    0.0000 O   0  0
   20.6305    0.7163    0.0000 C   0  0
   19.1398    0.5495    0.0000 C   0  0
   18.5469    1.3548    0.0000 C   0  0
   18.5376   -0.8252    0.0000 C   0  0
   17.0461   -0.9920    0.0000 N   0  0
   16.1587    0.2184    0.0000 C   0  0
   16.7624    1.5924    0.0000 C   0  0
   17.7564    1.7015    0.0000 O   0  0
   15.8750    2.8028    0.0000 C   0  0
   14.3828    2.6421    0.0000 C   0  0
   13.4968    3.8535    0.0000 C   0  0
   14.0997    5.2270    0.0000 C   0  0
   13.2117    6.4360    0.0000 C   0  0
   11.7207    6.2714    0.0000 C   0  0
   11.1178    4.8979    0.0000 C   0  0
   12.0058    3.6890    0.0000 C   0  0
   16.4787    4.1769    0.0000 N   0  0
   15.5914    5.3873    0.0000 C   0  0
   14.5973    5.2782    0.0000 O   0  0
   16.1950    6.7613    0.0000 O   0  0
   15.3092    7.9697    0.0000 C   0  0
   13.8092    7.9601    0.0000 C   0  0
   13.3366    9.3837    0.0000 O   0  0
   14.5445   10.2731    0.0000 C   0  0
   14.9977   11.7009    0.0000 O   0  0
   16.4977   11.7104    0.0000 C   0  0
   16.9703   10.2868    0.0000 C   0  0
   15.7636    9.3992    0.0000 C   0  0
   16.4424   -2.3661    0.0000 S   0  0
   15.5550   -1.1568    0.0000 O   0  0
   14.9514   -2.5298    0.0000 O   0  0
   17.3298   -3.5765    0.0000 C   0  0
   18.8209   -3.4133    0.0000 C   0  0
   19.7078   -4.6230    0.0000 C   0  0
   19.1035   -5.9960    0.0000 C   0  0
   19.9904   -7.2057    0.0000 N   0  0
   17.6124   -6.1592    0.0000 C   0  0
   16.7256   -4.9494    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 12 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 24  1  0
 31 27  1  0
  8 32  1  0
 32 33  2  0
 32 34  2  0
 32 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 41 35  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12545

> <plate>
PLATE 020

> <well>
H5

> <supplier_cmpd_name>
Darunavir

> <ctcr_id>
1128

> <supplier_cmpd_id>
T2324

> <smiles>
CCO.CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC2COC3OCCC23)S(=O)(=O)c4ccc(N)cc4

> <pd_targets>
{PROTEASE,"HIV-1 PROTEASE",POL,ABCB1,KCNH2,KCND3,KCNE1,KCNQ1,SCN5A}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,"Ion channel",Protease,"Primary active transporter","Voltage-gated ion channel","Cysteine protease","Aspartic protease","ATP-binding cassette","Potassium cha
nnels","Voltage-gated sodium channel","Cysteine protease PAC clan","Aspartic protease AA clan","ABCB subfamily","Voltage-gated potassium channel","Cysteine protease C3A subfamily","Aspartic protease A
2A subfamily"}

> <pathway_chembl>
{Transporters,"Ion channels","ATP-binding cassette transporter family","Voltage-gated ion channels","ABCB subfamily","Potassium channels","Voltage-gated sodium channels","Voltage-gated potassium chann
els"}

> <pathway_reactome>
{Metabolism,"Muscle contraction","Developmental Biology","Abacavir transport and metabolism","Cardiac conduction","Nervous system development","Abacavir transmembrane transport","Phase 3 - rapid repol
arisation","Phase 1 - inactivation of fast Na+ channels","Axon guidance","L1CAM interactions","Interaction between L1 and Ankyrins"}

> <broad_targets>
{CYP3A4}

> <broad_moa>
{"HIV protease inhibitor"}

> <synonyms>
{"TMC114 (Ethanolate)",T3335,T2324,S1620,Darunavir Ethanolate,Darunavir,"Darunavir Ethanolate"}

> <pdid>
PD009930

> <targets>
{"HIV Protease"}

> <classes>
{Proteases}

> <pubchem_cids>
{74109114}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  7  1  0
 13 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12546

> <plate>
PLATE 020

> <well>
H6

> <supplier_cmpd_name>
Guanabenz Acetate

> <ctcr_id>
1218

> <supplier_cmpd_id>
T6522

> <smiles>
NC(=N)N/N=C/c1c(Cl)cccc1Cl

> <pd_targets>
{CYP2D6,HIF1A,LMNA,CYP1A2,TSHR,CHRM1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other nuclear protein","Membrane receptor","Cytochrome P450","Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 family 1","Peptide recept
or (family A GPCR)","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Glycohormone receptor","Monoamine receptor","Cytochrome P450 2D6","Cytochrome P45
0 1A1","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP1 family","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Cell Cycle",Disease,"Signal Transduction","Biological oxidations","Cellular responses to stress",Mitotic,"Infectious disease","Signaling by GPCR",
"Phase I - Functionalization of compounds","Cellular response to hypoxia","M Phase","Leishmania infection","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Oxygen-dependent prolin
e hydroxylation of Hypoxia-inducible Factor Alpha","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Mitotic Anaphase","Ant
i-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-deal
kylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA2A,ADRA2B,ADRA2C}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{guanabenz,"Guanabenz acetate","Wy 8678 base",Guanabenzum,"Wy 8678",Wy-8678,Wy8678,NSC-68982,NSC68982,"N-(2,6-Dichlorobenzylidene)-N'-amidinohydrazine","N(2,6Dichlorobenzylidene)N'amidinohydrazine",50
51-62-7,5051627,"((2,6-Dichlorobenzylidene)amino)guanidine","((2,6Dichlorobenzylidene)amino)guanidine",UNII-GGD30112WC,UNIIGGD30112WC,Hydrazinecarboximidamide,2-((2,2((2,6-dic,6dic,"NSC 68982",Guanabe
nz}

> <pdid>
PD013220

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5702063}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  1  0            999 V2000
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.4522    2.0983    0.0000 C   0  0
    3.8856    1.6562    0.0000 C   0  0
    4.2194    0.1938    0.0000 C   0  0
    3.1198   -0.8265    0.0000 C   0  0
    0.0000    1.7286    0.0000 N   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0  2  0  0  0
    1.3993   -2.9127    0.0000 O   0  0
    0.5521   -4.1515    0.0000 C   0  0
    1.2002   -5.5043    0.0000 O   0  0
   -0.9435   -4.0368    0.0000 C   0  0
   -0.0031    3.2314    0.0000 C   0  0
   -1.3032    3.9795    0.0000 O   0  0
    1.2947    3.9836    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  2  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15  1  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  0
 17 19  1  0
  7 20  1  0
 20 21  2  0
 20 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12547

> <plate>
PLATE 020

> <well>
H7

> <supplier_cmpd_name>
Eslicarbazepine Acetate

> <ctcr_id>
11221

> <supplier_cmpd_id>
T3285

> <smiles>
c12c(cccc1)N(c1ccccc1C[C@@H]2OC(=O)C)C(=O)N

> <pd_targets>
{SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,P2RX4}

> <pathway_gtopdb>
{"Ion channel","Voltage-gated ion channel","Ligand-gated ion channel","Voltage-gated sodium channel","P2X receptor"}

> <pathway_chembl>
{"Ion channels","Ligand-gated ion channels","P2X receptors"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Cell recruitment (pro-inflammatory response)","Purinergic signaling in leishmaniasis infection"}

> <broad_targets>
{SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{"Eslicarbazepine acetate",236395-14-5,236395145,"BIA 2-093","BIA 2093",Aptiom,Zebinix,Exalief,Stedesa,BIA-2-093,BIA2093,Erelib,Pazzul,"Eslicarbazepine (acetate)",UNII-BEA68ZVB2K,UNIIBEA68ZVB2K,"(S)-5
-Carbamoyl-10,11-dihydro-5H-dibenzo(b,f)azepin-10-yl acetate","(S)5Carbamoyl10,11dihydro5Hdibenzo(b,f)azepin10yl acetate",BEA68ZVB2K,S,T3285,"Eslicarbazepine Acetate"}

> <pdid>
PD002613

> <targets>
{Beta-secretase,Sodium Channel}

> <classes>
{Membrane Transporter/Ion Channel,Neuroscience,Neuronal Signaling}

> <pubchem_cids>
{179344}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 N   0  3
    0.0007    0.0004    0.0000 O   0  5
    2.5993    0.0004    0.0000 O   0  0
   15.5021   -1.2689    0.0000 Cl  0  0
   14.2030   -0.5189    0.0000 C   0  0
   14.2030    0.9811    0.0000 C   0  0
   12.9040    1.7311    0.0000 C   0  0
   11.6050    0.9811    0.0000 C   0  0
   10.3063    1.7332    0.0000 C   0  0
   10.3088    3.2341    0.0000 C   0  0
   11.6093    3.9831    0.0000 N   0  0
   11.7517    5.4636    0.0000 C   0  0
   13.2199    5.7709    0.0000 C   0  0
   13.9659    4.4696    0.0000 N   0  0
   12.9588    3.3579    0.0000 C   0  0
    9.0057    0.9842    0.0000 O   0  0
    9.0033   -0.5167    0.0000 C   0  0
    7.7027   -1.2657    0.0000 C   0  0
    7.6980   -2.7658    0.0000 C   0  0
    8.9948   -3.5198    0.0000 Cl  0  0
    6.3967   -3.5118    0.0000 C   0  0
    5.1000   -2.7578    0.0000 C   0  0
    5.1046   -1.2578    0.0000 C   0  0
    6.4059   -0.5118    0.0000 C   0  0
    6.4105    0.9882    0.0000 Cl  0  0
   11.6050   -0.5189    0.0000 C   0  0
   10.3059   -1.2689    0.0000 Cl  0  0
   12.9040   -1.2689    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 12  1  0
 10 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
  9 27  1  0
 27 28  1  0
 27 29  2  0
 29  6  1  0
M  CHG  2   2   1   3  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12548

> <plate>
PLATE 020

> <well>
H8

> <supplier_cmpd_name>
Isoconazole nitrate

> <ctcr_id>
3899

> <supplier_cmpd_id>
T6550

> <smiles>
O[N+]([O-])=O.Clc1ccc(C(Cn2ccnc2)OCc3c(Cl)cccc3Cl)c(Cl)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CYP17A1}

> <broad_moa>
{"fungal lanosterol demethylase inhibitor"}

> <synonyms>
{"isoconazole nitrate",24168-96-5,24168965,Travogyn,Fazol,"Isoconazole (nitrate)","Isoconazole nitrate (JAN)","24168-96-5 (nitrate)","24168965 (nitrate)",Travogen,"Isoconazole nitrate, 99","Adestan G1
00",Gyno-Travogen,GynoTravogen,"EINECS 246-051-4","EINECS 2460514","R 15,454","Adestan-G (TN)","AdestanG (TN)",T6550,S2534,"Isoconazole nitrate","Isoconazole nitrate"}

> <pdid>
PD009160

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{159968}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2494    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 N   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4990   -0.7410    0.0000 C   0  0
   -7.7996   -1.4883    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  5  9  2  0
  9 10  1  0
 10 11  2  0
 11  3  1  0
 11 12  1  0
 10 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12549

> <plate>
PLATE 020

> <well>
H9

> <supplier_cmpd_name>
Alibendol

> <ctcr_id>
964

> <supplier_cmpd_id>
T6375

> <smiles>
COc1cc(CC=C)cc(c1O)C(=O)NCCO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{antispasmodic}

> <synonyms>
{Alibendol,26750-81-2,26750812,UNII-A8CO1VZK2Z,UNIIA8CO1VZK2Z,2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-prop-2-enylbenzamide,2hydroxyN(2hydroxyethyl)3methoxy5prop2enylbenzamide,A8CO1VZK2Z,"Benzamide, 2
-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)-","Benzamide, 2hydroxyN(2hydroxyethyl)3methoxy5(2propenyl)",5-Allyl-N-(2-hydroxyethyl)-3-methoxysalicylamide,5AllylN(2hydroxyethyl)3methoxysalicyla
mide,5-allyl-2-hydroxy-,5allyl2hydroxy,T6375,S1928}

> <pdid>
PD011067

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{71916}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
   12.9651  -19.5339    0.0000 C   0  0
   11.6676  -18.7813    0.0000 C   0  0
   11.6698  -17.2804    0.0000 C   0  0
   10.3716  -16.5273    0.0000 C   0  0
   10.3737  -15.0265    0.0000 C   0  0
    9.0755  -14.2734    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 21 27  1  0
 27 28  2  0
 27 29  1  0
 29 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12550

> <plate>
PLATE 020

> <well>
H10

> <supplier_cmpd_name>
Cetilistat

> <ctcr_id>
11222

> <supplier_cmpd_id>
T3283

> <smiles>
CCCCCCCCCCCCCCCCOc1nc2c(cc(cc2)C)c(=O)o1

> <pd_targets>
{PNLIP}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,Hydrolases}

> <pathway_reactome>
{Metabolism,"Metabolism of vitamins and cofactors","Metabolism of fat-soluble vitamins","Retinoid metabolism and transport"}

> <broad_targets>
{PNLIP}

> <broad_moa>
{"triacylglycerol lipase inhibitor"}

> <synonyms>
{"Oblean (TN)",SCHEMBL367612,Cetilistat,282526-98-1,282526981,ATL-962,ATL962,Citilistat,"ATL 962",UNII-LC5G1JUA39,UNIILC5G1JUA39,"2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one","2hexadecoxy6methyl3,1benz
oxazin4one","4H-3,1-Benzoxazin-4-one, 2-(hexadecyloxy)-6-methyl-","4H3,1Benzoxazin4one, 2(hexadecyloxy)6methyl","2-Hexadecyloxy-6-methyl-4H-3,1-benzoxazin-4-one","2Hexadecyloxy6methyl4H3,1benzoxazin4o
ne",T3283}

> <pdid>
PD000499

> <targets>
{Lipase}

> <classes>
{Metabolism}

> <pubchem_cids>
{9952916}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6061    6.0003    0.0000 C   0  0
   -2.6061    7.5003    0.0000 C   0  0
   -1.3071    8.2503    0.0000 C   0  0
   -0.0080    7.5003    0.0000 N   0  0
   -0.0080    6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12551

> <plate>
PLATE 020

> <well>
H11

> <supplier_cmpd_name>
Troxipide

> <ctcr_id>
4506

> <supplier_cmpd_id>
T6710

> <smiles>
COc1cc(cc(OC)c1OC)C(=O)NC2CCCNC2

> <pd_targets>
{MAPK1,TGR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 5 (TLR5) Cascade","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear 
events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"glucosamine synthetase stimulant"}

> <synonyms>
{KU54,CHEMBL1566956,troxipide,30751-05-4,30751054,"3,4,5-Trimethoxy-N-(3-piperidyl)benzamide","3,4,5TrimethoxyN(3piperidyl)benzamide","Benzamide, 3,4,5-trimethoxy-N-3-piperidinyl-","Benzamide, 3,4,5tr
imethoxyN3piperidinyl",KU-54,"3,4,5-trimethoxy-n-piperidin-3-ylbenzamide","3,4,5trimethoxynpiperidin3ylbenzamide",99777-81-8,99777818,3,4,5-trimethoxy-N-(piperidin-3-yl)benzam,5trimethoxyN(piperidin3y
l)benzam,T6710,SAM001246756,Troxipide,CPD000466385}

> <pdid>
PD000093

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5597}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -3.9149    9.7481    0.0000 O   0  0
   -5.2095    7.4959    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  3  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12552

> <plate>
PLATE 021

> <well>
A2

> <supplier_cmpd_name>
Pikamilone

> <ctcr_id>
11223

> <supplier_cmpd_id>
T3290

> <smiles>
c1cc(cnc1)C(=O)NCCCC(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-","Butanoic acid, 4((3pyridinylcarbonyl)amino)",34562-97-5,34562975,"4-(Nicotinamido)butanoic acid","4(Nicotinamido)butanoic acid",Pikamilone,Picamilon,
Nicotinoyl-GABA,NicotinoylGABA,Pikamilon,N-(3-Carboxypropyl)nicotinamide,N(3Carboxypropyl)nicotinamide,UNII-0S5N9SEK4N,UNII0S5N9SEK4N,"Pikamilone (sodium)",0S5N9SEK4N,N-nicotinoyl-gamma-amin,Nnicotino
ylgammaamin,T3290}

> <pdid>
PD056495

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{60608}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 39  0  0  1  0            999 V2000
    5.7014   -3.0617    0.0000 C   0  0
    5.2600   -4.4953    0.0000 C   0  0
    6.2812   -5.5941    0.0000 O   0  0
    3.7969   -4.8296    0.0000 O   0  0
    2.7751   -3.7302    0.0000 C   0  0
    1.3120   -4.0645    0.0000 C   0  0
    0.8706   -5.4981    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
   -0.3666   -4.3062    0.0000 O   0  0
    0.7315   -5.3280    0.0000 C   0  0
   -0.6573   -5.8949    0.0000 C   0  0
    1.9437   -6.2115    0.0000 C   0  0
    2.0426   -4.5993    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0  2  0  0  0
    3.8971    3.7500    0.0000 F   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    0.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  8  6  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 14 13  1  1
 14  8  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  1
 19 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  3
 26 27  1  0
 27 21  1  0
 27 28  1  6
 27 29  1  0
 29 17  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  6
 31 33  1  0
 33 34  1  0
 34  8  1  0
 34 16  1  0
 34 35  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12553

> <plate>
PLATE 021

> <well>
A3

> <supplier_cmpd_name>
Fluocinonide

> <ctcr_id>
3591

> <supplier_cmpd_id>
T6502

> <smiles>
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C

> <pd_targets>
{HIF1A,NR3C1,PGR,SMO}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor","Nuclear receptor","Frizzled family G protein-coupled receptor","Nuclear hormone receptor subfamily 3","Smoothened receptor (frizzled family GPCR)","Nuclear
 hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 3 group C member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","G protein-coupled receptors","Steroid hormone receptors","Class Frizzled GPCRs","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Gene expression (Transcription)","Organelle biogenesis and maintenance","Cellular responses to stress","RNA Polymerase II Transcription","Cilium Assembly","C
ellular response to hypoxia","Generic Transcription Pathway","Cargo trafficking to the periciliary membrane","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","FOXO-mediated t
ranscription","BBSome-mediated cargo-targeting to cilium","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes"}

> <broad_targets>
{NR3C1,SERPINA6,SMO}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{Spectrum_001092,Spectrum001092,Spectrum-001092,"Spectrum 001092",Spectrum2_001035,Spectrum2001035,Spectrum2-001035,"Spectrum2 001035",Spectrum3_000432,Spectrum3000432,Spectrum3-000432,"Spectrum3 0004
32",Spectrum4_000555,Spectrum4000555,Spectrum4-000555,"Spectrum4 000555",Spectrum5_000714,Spectrum5000714,Spectrum5-000714,"Spectrum5 000714",BSPBio_002044,BSPBio002044,BSPBio-002044,"BSPBio 002044",K
BioGR_001249,KBioGR001249,KBioGR-001249,"KBioGR 001249",KBioSS_001572,KBioSS001572,KBioSS-001572,"KBioSS 001572",SPECTRUM1500303,SPBio_001249,SPBio001249,SPBio-001249,"SPBio 001249",CHEMBL3039305,SCHE
MBL13072509,KBio2_001572,KBio2001572,KBio2-001572,"KBio2 001572",KBio2_004140,KBio2004140,KBio2-004140,"KBio2 004140",KBio2_006708,KBio2006708,KBio2-006708,"KBio2 006708",KBio3_001264,KBio3001264,KBio
3-001264,"KBio3 001264",HMS19,1500303,FLUOCINONIDE}

> <pdid>
PD003197

> <targets>
{}

> <classes>
{glucocorticoid,antiinflammatory}

> <pubchem_cids>
{6710662}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    7.4133   -1.1375    0.0000 H   0  3
    4.9133   -1.1375    0.0000 Cl  0  5
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 N   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7890   -1.5185    0.0000 C   0  0
   -9.0920   -0.7751    0.0000 N   0  0
  -10.3872   -1.5316    0.0000 C   0  0
  -10.3796   -3.0316    0.0000 C   0  0
   -9.0768   -3.7750    0.0000 C   0  0
   -7.7816   -3.0185    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
  8 22  1  0
 22 23  2  0
 23  5  1  0
 23 24  1  0
 24  3  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12554

> <plate>
PLATE 021

> <well>
A4

> <supplier_cmpd_name>
Piribedil

> <ctcr_id>
6165

> <supplier_cmpd_id>
T3278

> <smiles>
[H+].[Cl-].C1Oc2ccc(CN3CCN(CC3)c4ncccn4)cc2O1

> <pd_targets>
{LMNA,PMP22,CYP2C19,CHRM1,CYP2D6,CYP3A4,CYP1A2,DRD2,ADRA1A,HTR2B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,HTR1A,NFKB1,DRD3,DRD4,ADRA1B,KMT2A,MEN1}

> <pathway_gtopdb>
{"Other nuclear protein","Unclassified protein",Enzyme,"Membrane receptor","Other cytosolic protein","Epigenetic regulator","Cytochrome P450","Family A G protein-coupled receptor",Reader,"Cytochrome P
450 family 2","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 1",Bromodomain,"Cytochrome P450 family 2C","Monoamine receptor","Cytochrome P450 family 2D","
Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 2C19","Acetylcholine receptor","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1","Dopamine receptor","Adrenergic
 receptor","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","CYP3 family","CYP1 family","Dopamine receptors",Adren
oceptors,"5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology",Metabolism,"Signal Transduction","Immune System",Mitotic,"Nervous system development","Biological oxidations","Signaling by GPCR","Metabolism of lipids","Cytokine
 Signaling in Immune system","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Phase I - Functionalization of compounds","GPCR ligand binding","Biosynthesis of specialized pr
oresolving mediators (SPMs)","Signaling by Interleukins","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-der
ived SPMs","Interleukin-1 family signaling","Mitotic Anaphase",Xenobiotics,"Amine ligand-binding receptors","Biosynthesis of maresins","Interleukin-1 signaling","Nuclear Envelope (NE) Reassembly","CYP
2E1 reactions","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Dopamine receptors",Adrenoceptors,"Serotonin
 receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA1A,ADRA2A,ADRA2C,DRD2,DRD3,DRD4,HTR1A,HTR2B}

> <broad_moa>
{"dopamine receptor agonist"}

> <synonyms>
{RESTW98,"Piribedil hydrochloride",78213-63-5,78213635,"2-(4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl)pyrimidine;hydrochloride","2(4(1,3benzodioxol5ylmethyl)piperazin1yl)pyrimidine;hydrochloride",SR
-01000076091,SR01000076091,"2-(4-Piperonyl-1-piperazinyl)pyrimidine hydrochloride","2(4Piperonyl1piperazinyl)pyrimidine hydrochloride","Pyrimidine, 2-(4-piperonyl-1-piperazinyl)-, hydrochloride","Pyri
midine, 2(4piperonyl1piperazinyl), hydrochloride",T3278,Prestw-980,Piribedil}

> <pdid>
PD000220

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3038520,50986659}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 52 55  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    5.1887   -6.0105    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   11.5823   -3.7516    0.0000 C   0  0
   12.8826   -3.0039    0.0000 C   0  0
   14.1808   -3.7570    0.0000 C   0  0
   14.1787   -5.2578    0.0000 N   0  0
   15.4762   -6.0105    0.0000 C   0  0
   12.8783   -6.0056    0.0000 C   0  0
   12.8847   -1.5031    0.0000 C   0  0
   11.5865   -0.7500    0.0000 N   0  0
   11.5865    0.7500    0.0000 C   0  0
   12.8855    1.5000    0.0000 C   0  0
   12.8855    3.0000    0.0000 C   0  0
   11.5865    3.7500    0.0000 C   0  0
   10.2875    3.0000    0.0000 C   0  0
   10.2875    1.5000    0.0000 C   0  0
    8.9884    0.7500    0.0000 S   0  0
    8.9884   -0.7500    0.0000 C   0  0
    7.6894   -1.5000    0.0000 C   0  0
    7.6894   -3.0000    0.0000 C   0  0
    8.9885   -3.7500    0.0000 C   0  0
   10.2875   -3.0000    0.0000 C   0  0
   10.2875   -1.5000    0.0000 C   0  0
   21.8768    0.7446    0.0000 O   0  0
   21.8768   -0.7554    0.0000 C   0  0
   20.5769   -1.5054    0.0000 C   0  0
   20.5769   -3.0054    0.0000 O   0  0
   19.2769   -0.7554    0.0000 C   0  0
   19.2769    0.7446    0.0000 O   0  0
   17.9776   -1.5050    0.0000 O   0  0
   23.1768   -1.5054    0.0000 C   0  0
   23.1768   -3.0054    0.0000 O   0  0
   24.4761   -0.7559    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  2  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  8  1  0
 21 16  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 23 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 29  1  0
 42 37  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 45 47  1  0
 47 48  1  0
 47 49  2  0
 44 50  1  0
 50 51  1  0
 50 52  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12555

> <plate>
PLATE 021

> <well>
A5

> <supplier_cmpd_name>
Trimeprazine tartrate

> <ctcr_id>
4140

> <supplier_cmpd_id>
T3282

> <smiles>
CC(CN(C)C)CN1c2ccccc2Sc3ccccc13.CC(CN(C)C)CN4c5ccccc5Sc6ccccc46.OC(C(O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Trimeprazine tartrate","Trimeprazine hemitartrate",4330-99-8,4330998,Prestwick_144,Prestwick144,Prestwick-144,"Prestwick 144",CHEMBL3989885,HMS1570J05,HMS3714J05,CCG-220842,CCG220842,T3282,Prestw-84
2}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6419902}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  1  0            999 V2000
    2.5923    1.5001    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0  2  0  0  0
    5.1903    1.5091    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 N   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    2.6003   -1.4977    0.0000 N   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.7980   -1.4850    0.0000 C   0  0
    9.0957   -0.7328    0.0000 O   0  0
    7.8010   -2.9858    0.0000 C   0  0
    9.1018   -3.7344    0.0000 C   0  0
   10.4019   -4.4826    0.0000 N   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  6
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 10  1  0
 18 14  2  0
  5 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12556

> <plate>
PLATE 021

> <well>
A6

> <supplier_cmpd_name>
Tofacitinib

> <ctcr_id>
7403

> <supplier_cmpd_id>
T6321

> <smiles>
C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N

> <pd_targets>
{RPS6KA1,ULK3,CAMK2A,CAMK2D,JAK1,TYK2,JAK3,PKN1,JAK2,ROCK2,RPS6KA6,PRKCD,NUAK2,TNK1,CAMK1,ABL1,MAP4K2,DCLK3,RPS6KA2,FYN,LCK,PKNB,LRRK2,STK3,MKNK2,PKN2,GRK7,DMPK,DCLK1,CAMK1D,RET,ROCK1,BMP2K}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","Other protein kinase group","CAMK protein kinase group","TK protein kinase group","STE protein kinase group","TKL protein kinase group","AGC
 protein kinase RSK family","Other protein kinase ULK family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase JakA family","AGC protein kinase PKN family","AGC protein kinase DMPK family",
"AGC protein kinase PKC family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Abl family","STE protein kinase STE20 family","CAMK protein kinase DCAM
K1 family","Tyrosine protein kinase Src family","TKL protein kinase LRRK family","CAMK protein kinase MAPKAPK family","AGC protein kinase GRK family","Tyrosine protein kinase Ret family","Other protei
n kinase NAK family","AGC protein kinase RSK subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase PKC delta subfamily","CAMK protein kinase NuaK subfamily","STE protein kinase KHS subfam
ily","Tyrosine protein kinase SrcA","STE protein kinase MST subfamily","CAMK protein kinase MNK subfamily","AGC protein kinase GRK subfamily","AGC protein kinase GEK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast
 Sterile 7","Sterile 11","Sterile 20 kinases","RSK family","Other protein kinases","CAMK2 family","TK: Tyrosine kinase","Protein kinase N (PKN) family","DMPK family","Protein kinase C (PKC) family","C
AMK-like (CAMKL) family","CAMK1 family","STE20 family","DCAMKL family","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","G protein-coupled receptor kinases (GRKs)","RSK sub
family","Unc-51-like kinase (ULK) family","Non-receptor tyrosine kinases (nRTKs)","Rho kinase","Delta subfamily","NuaK subfamily","KHS subfamily","Leucine-rich repeat kinase (LRRK) family","MST subfam
ily","MKN subfamily","Opsin/rhodopsin kinases","GEK subfamily","Receptor tyrosine kinases (RTKs)","Numb-associated kinase (NAK) family","Janus kinase (JakA) family","Ack family","Abl family","Src fami
ly","Type XIV RTKs: RET"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Neuronal System","Cell Cycle","Developmental Biology",Disease,"Muscle contraction","Innate Immune System","Signaling by Hedgehog","Transmission across Chemical 
Synapses","Cytokine Signaling in Immune system","Signaling by Rho GTPases",Mitotic,"Nervous system development","Intracellular signaling by second messengers","Infectious disease","Signaling by Non-Re
ceptor Tyrosine Kinases","Signaling by Hippo","Signaling by GPCR","Cardiac conduction","Toll-like Receptor Cascades","Hedgehog 'on' state","Neurotransmitter receptors and postsynaptic signal transmiss
ion","Interferon Signaling","Signaling by Interleukins","RHO GTPase Effectors","Mitotic G1 phase and G1/S transition","Axon guidance","DAG and IP3 signaling","Leishmania infection","HIV Infection","Si
gnaling by PTK6","GPCR downstream signalling","Ion homeostasis","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","Antiviral mechanism by IFN-stimulated gene
s","Interferon alpha/beta signaling","Interleukin-2 family signaling","RHO GTPases activate PKNs","G1 Phase","Semaphorin interactions","CaM pathway","Parasite infection","Host Interactions of HIV fact
ors","PTK6 promotes HIF1A stabilization","G alpha (i) signalling events","RET signaling","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","ISG15 antiviral mechanism"
,"Regulation of IFNA signaling","Interleukin-15 signaling","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Cyclin D associated events in G1","Sema4D 
in semaphorin signaling","Calmodulin induced events","Leishmania phagocytosis","The role of Nef in HIV-1 replication and disease pathogenesis","Visual phototransduction","MAP kinase activation","CREB1
 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Sema4D induced cell migration and growth-cone collapse","Activation of RAC1 downstream of NMDARs","FCGR3A-mediated phagocy
tosis","Nef and signal transduction","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","The phototransduction cascade","MAPK targets/ Nuclear events medi
ated by MAP kinases","Ras activation upon Ca2+ influx through NMDA receptor","RSK activation","Nef Mediated CD4 Down-regulation",Inactivation,"recovery and regulation of the phototransduction cascade"
,"CREB phosphorylation"}

> <broad_targets>
{JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{EX-A205,EXA205,BCPP000274,Tofacitinib,Tasocitinib,477600-75-2,477600752,CP-690550,CP690550,"CP 690550",racemic-tofacitinib,racemictofacitinib,1259404-17-5,1259404175,rac-Tofacitinib,racTofacitinib,"C
P-690,550","CP690,550","Tofacitinib (CP-690550,Tasocitinib)","Tofacitinib (CP690550,Tasocitinib)",UNII-87LA6FU830,UNII87LA6FU830,CHEMBL221959,CHEBI:71200,87LA6FU830,"477600-75-2 (free b","477600752 (f
ree b",S2789}

> <pdid>
PD003234

> <targets>
{JAK3,JAK}

> <classes>
{}

> <pubchem_cids>
{9926791}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8926    3.7566    0.0000 O   0  0
    1.2948    3.7517    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    7.7928   -6.0048    0.0000 N   0  0
    9.0914   -5.2526    0.0000 C   0  0
   10.3920   -6.0000    0.0000 O   0  0
    9.0889   -3.7526    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  4  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12557

> <plate>
PLATE 021

> <well>
A7

> <supplier_cmpd_name>
Benorilate

> <ctcr_id>
11224

> <supplier_cmpd_id>
T3276

> <smiles>
C(=O)(c1c(cccc1)OC(=O)C)Oc1ccc(cc1)NC(=O)C

> <pd_targets>
{RORC}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Benorilate,5003-48-5,5003485,BENORYLATE,"4-acetamidophenyl 2-acetoxybenzoate","4acetamidophenyl 2acetoxybenzoate",Salipran,Benoral,Benortan,Fenasprate,Fenasparate,"Aspirin acetaminophen ester",Benori
lato,"WIN 11450","p-Acetamidophenyl acetylsalicylate","pAcetamidophenyl acetylsalicylate","Benzoic acid",2-(acetyloxy)-,2(acetyloxy),4-(a,4(a,T3276}

> <pdid>
PD013485

> <targets>
{PGF}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{21102}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 15  0  0  0  0            999 V2000
   12.8003   -0.7504    0.0000 H   0  3
   10.3003   -0.7504    0.0000 Cl  0  5
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4964    0.7591    0.0000 C   0  0
    7.7966    0.0115    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12558

> <plate>
PLATE 021

> <well>
A8

> <supplier_cmpd_name>
Tulobuterol hydrochloride

> <ctcr_id>
3970

> <supplier_cmpd_id>
T3277

> <smiles>
[H+].[Cl-].CC(C)(C)NCC(O)c1ccccc1Cl

> <pd_targets>
{BLM,ADRB2,NFKB1,HIF1A,CHRM1,CYP2D6}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein","Transcription factor","Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2
","Monoamine receptor","Cytochrome P450 family 2D","Adrenergic receptor","Acetylcholine receptor","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450",Adrenoceptors,"Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{"DNA Repair",Disease,"Immune System","Cellular responses to external stimuli","Signal Transduction",Metabolism,"DNA Double-Strand Break Repair","Infectious disease","Cytokine Signaling in Immune syst
em","Cellular responses to stress","Signaling by GPCR","Biological oxidations","Homology Directed Repair","Leishmania infection","Signaling by Interleukins","Cellular response to hypoxia","GPCR ligand
 binding","Phase I - Functionalization of compounds","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Interleukin-1 family signa
ling","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombina
tion (HRR)","Anti-inflammatory response favouring Leishmania parasite infection","Interleukin-1 signaling","Amine ligand-binding receptors",Xenobiotics,"Homologous DNA Pairing and Strand Exchange","AD
ORA2B mediated anti-inflammatory cytokines production","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic acetylcholine receptors","CYP2E1 reactions","Presynaptic phase of homologous DNA pairing
 and strand exchange"}

> <broad_targets>
{ADRB2}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{"Tulobuterol hydrochloride",56776-01-3,56776013,"2-(tert-butylamino)-1-(2-chlorophenyl)ethanol hydrochloride","2(tertbutylamino)1(2chlorophenyl)ethanol hydrochloride",Hokunalin,Berachin,Lobuterol,"Tu
lobuterol HCl","Tulobuterol (hydrochloride)",C-78,C78,CHEBI:32272,MFCD00214398,NCGC00094412-02,NCGC0009441202,2-(tert-butylamino),2(tertbutylamino),1503954,TULOBUTEROL}

> <pdid>
PD013098

> <targets>
{Adrenergic Receptor,Antibiotic,Influenza Virus}

> <classes>
{beta adrenergic agonist,bronchodilator,Anti-infection,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{41991,74764339,5702285}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0964    0.7636    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -2.4135   -4.4924    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
    5.2029   -2.9932    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 13  1  0
  6 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12559

> <plate>
PLATE 021

> <well>
A9

> <supplier_cmpd_name>
Carazolol

> <ctcr_id>
11225

> <supplier_cmpd_id>
T3284

> <smiles>
CC(C)NCC(COc1cccc2c1c1ccccc1[nH]2)O

> <pd_targets>
{ADRB3,ADRB2,ADRB1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{Carazolol,57775-29-8,57775298,Conducton,Suacron,corazolol,1-(Carbazol-4-yloxy)-3-(isopropylamino)-2-propanol,1(Carbazol4yloxy)3(isopropylamino)2propanol,"BM 51052",1-(9H-carbazol-4-yloxy)-3-(propan-2
-ylamino)propan-2-ol,1(9Hcarbazol4yloxy)3(propan2ylamino)propan2ol,1-((9H-Carbazol-4-yl)oxy)-3-(isopropylamino)propan-2-ol,1((9HCarbazol4yl)oxy)3(isopropylamino)propan2ol,2-Propanol,2Propanol,1-(9H-ca
r,1(9Hcar,T3284}

> <pdid>
PD000106

> <targets>
{"¦Â-adrenergic receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{71739}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
    2.1621   -7.4180    0.0000 C   0  0
    1.2830   -6.2026    0.0000 C   0  0
   -0.2091   -6.3568    0.0000 C   0  0
    1.8954   -4.8324    0.0000 O   0  0
    1.0157   -3.6164    0.0000 C   0  0
   -0.4763   -3.7706    0.0000 O   0  0
    1.6281   -2.2462    0.0000 C   0  0
    3.1213   -2.0950    0.0000 C   0  0
    3.7362   -0.7269    0.0000 O   0  0
    3.9996   -3.3120    0.0000 O   0  0
    5.4928   -3.1608    0.0000 C   0  0
    6.3706   -4.3772    0.0000 C   0  0
    6.1077   -1.7927    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  7 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12560

> <plate>
PLATE 021

> <well>
A10

> <supplier_cmpd_name>
Malotilate

> <ctcr_id>
1807

> <supplier_cmpd_id>
T6576

> <smiles>
CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis stimulant"}

> <synonyms>
{malotilate,59937-28-9,59937289,"NKK 105",NKK-105,NKK105,"Diisopropyl 1,3-dithiol-2-ylidenemalonate","Diisopropyl 1,3dithiol2ylidenemalonate","dipropan-2-yl 2-(1,3-dithiol-2-ylidene)propanedioate","di
propan2yl 2(1,3dithiol2ylidene)propanedioate",UNII-RV59PND975,UNIIRV59PND975,"Diisopropyl 2-(1,3-dithiol-2-ylidene)malonate","Diisopropyl 2(1,3dithiol2ylidene)malonate",Kantec,1,"3-Dithiol-2-ylidenepr
opanedioic acid","3Dithiol2ylidenepropanedioic acid",T6576,S1137,Malotilate}

> <pdid>
PD011120

> <targets>
{Others,Lipoxygenase}

> <classes>
{Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{4006}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    8.9458   -3.5622    0.0000 Na  0  3
    6.2966   -4.8284    0.0000 C   0  0
    4.8054   -4.6666    0.0000 N   0  0
    3.9195   -5.8781    0.0000 C   0  0
    4.5250   -7.2514    0.0000 S   0  0
    5.1307   -8.6237    0.0000 O   0  5
    3.6396   -8.4623    0.0000 O   0  0
    6.0162   -7.4132    0.0000 O   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    6.4451   -1.8434    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.2566    0.5871    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.6120   -3.9767    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  5  8  2  0
  3  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15  9  1  0
 15 16  2  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  CHG  2   1   1   6  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12561

> <plate>
PLATE 021

> <well>
A11

> <supplier_cmpd_name>
Metamizole magnesium

> <ctcr_id>
4153

> <supplier_cmpd_id>
T3272

> <smiles>
[Na+].CN(C[S]([O-])(=O)=O)C1=C(C)N(C)N(C1=O)c2ccccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{dipyrone,"Metamizole sodium",Analgin,Methampyrone,68-89-3,68893,Novalgin,Methylmelubrin,Neomelurbrin,Algocalmin,sulpyrine,Novalgetol,Optalgin,Pyralgin,Sulpyrin,Narone,Algopyrine,Farmolisina,Nevralgin
a,Novamidazophen,Novaminsulfone,Pharmalgine,Alginodia,T1191,T3272,T1191L,1503298,Prestw-713,"Metamizole magnesium",Dipyron,DIPYRONE,Dipyrone}

> <pdid>

> <targets>
{}

> <classes>
{analgesic,antipyretic}

> <pubchem_cids>
{522325}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 31  0  0  1  0            999 V2000
    2.5228   -3.0436    0.0000 C   0  0
    1.2626   -2.2300    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    1.2990    3.7500    0.0000 N   0  0
    1.6105    5.2165    0.0000 C   0  0
    3.1022    5.3733    0.0000 C   0  0
    3.7123    4.0030    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    5.2030    3.8457    0.0000 N   0  0
    6.0847    5.0592    0.0000 C   0  0
    7.5764    4.9024    0.0000 C   0  0
    8.4581    6.1160    0.0000 C   0  0
    7.8480    7.4863    0.0000 C   0  0
    6.3562    7.6431    0.0000 C   0  0
    5.4745    6.4295    0.0000 C   0  0
    3.9828    6.5863    0.0000 C   0  0
    8.7297    8.6998    0.0000 O   0  0
    2.5793    0.0316    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  2  0
  5 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  1  0
 16 17  2  0
 17  4  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 19  1  0
 24 25  2  0
 25 14  1  0
 22 26  1  0
  3 27  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12562

> <plate>
PLATE 021

> <well>
B2

> <supplier_cmpd_name>
Hydroxy Camptothecine

> <ctcr_id>
11035

> <supplier_cmpd_id>
T1521

> <smiles>
CC[C@@]1(c2c(COC1=O)c(=O)n1Cc3c(c1c2)nc1ccc(cc1c3)O)O

> <pd_targets>
{CASP1,KMT2A,MEN1,CYP3A4,CASP7,RORC,IMPA1,HBB,TOP1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Secreted protein",Protease,Reader,"Cytochrome P450","Nuclear receptor",Hydrolase,Isomerase,"Cysteine protease",Bromodomain,"Cytochrome P450 famil
y 3","Nuclear hormone receptor subfamily 1","Cysteine protease CD clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Cysteine protease C14 family","Cytochrome P450 3A4",
"Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","Cytochrome P450","Nuclear hormone receptors","Inositol phosphate turnover","DNA topoisomerases","CD: Cysteine (C) Peptidases","CYP3 family","1F. Retino
ic acid-related orphans","Inositol monophosphatase","C14: Caspase"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Programmed Cell Death","Immune System","Metabolism of proteins","RNA Polymerase II Transcription","Metabolism of lipids",Apoptosis,"Inositol phosphate me
tabolism","Innate Immune System","Post-translational protein modification","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Intrinsic Pathway for Apoptosis"
,"Synthesis of IP2",IP,"and Ins in the cytosol","Neutrophil degranulation",SUMOylation,"Transcriptional Regulation by TP53","Biosynthesis of DHA-derived SPMs","Apoptotic factor-mediated response","Tra
nscriptional regulation by RUNX3","SUMO E3 ligases SUMOylate target proteins","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of maresins","Cytochrome c-mediated apoptotic response","
RUNX3 Regulates Immune Response and Cell Migration","SUMOylation of DNA replication proteins","TP53 Regulates Transcription of Caspase Activators and Caspases","Biosynthesis of maresin-like SPMs","Act
ivation of caspases through apoptosome-mediated cleavage"}

> <broad_targets>
{TOP1}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{10-Hydroxycamptothecin,10Hydroxycamptothecin,19685-09-7,19685097,(S)-10-Hydroxycamptothecin,(S)10Hydroxycamptothecin,Hydroxycamptothecin,10-hydroxycamptothecine,10hydroxycamptothecine,Hydroxycamptoth
ecine,10-Hydroxy-Camptothecin,10HydroxyCamptothecin,"Camptothecin, hydroxy-","Camptothecin, hydroxy","10-Hydroxy camptothecin","10Hydroxy camptothecin",UNII-9Z01632KRV,UNII9Z01632KRV,NSC107124,Irin,T1
521,T2764,T4952,"Hydroxy Camptothecine",10-Hydroxycampothecin}

> <pdid>
PD001274

> <targets>
{Topo I,Apoptosis,Topoisomerase}

> <classes>
{DNA Damage/DNA Repair,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{97226}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 36  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 N   0  3
    0.0007    0.0004    0.0000 O   0  5
    2.5993    0.0004    0.0000 O   0  0
   20.7001   -1.2731    0.0000 Cl  0  0
   19.4011   -0.5231    0.0000 C   0  0
   19.4011    0.9769    0.0000 C   0  0
   18.1020    1.7269    0.0000 C   0  0
   16.8030    0.9769    0.0000 C   0  0
   15.5043    1.7291    0.0000 C   0  0
   15.5068    3.2299    0.0000 C   0  0
   16.8073    3.9790    0.0000 N   0  0
   16.9498    5.4594    0.0000 C   0  0
   18.4179    5.7667    0.0000 C   0  0
   19.1639    4.4654    0.0000 N   0  0
   18.1568    3.3537    0.0000 C   0  0
   14.2038    0.9800    0.0000 O   0  0
   14.2013   -0.5208    0.0000 C   0  0
   12.9008   -1.2699    0.0000 C   0  0
   12.8961   -2.7699    0.0000 C   0  0
   11.5948   -3.5160    0.0000 C   0  0
   10.2980   -2.7620    0.0000 C   0  0
    8.9944   -3.5057    0.0000 S   0  0
    7.6981   -2.7495    0.0000 C   0  0
    6.3941   -3.4910    0.0000 C   0  0
    5.1000   -2.7325    0.0000 C   0  0
    5.1098   -1.2325    0.0000 C   0  0
    6.4137   -0.4910    0.0000 C   0  0
    7.7078   -1.2495    0.0000 C   0  0
   10.3026   -1.2620    0.0000 C   0  0
   11.6040   -0.5160    0.0000 C   0  0
   16.8030   -0.5231    0.0000 C   0  0
   15.5040   -1.2731    0.0000 Cl  0  0
   18.1021   -1.2731    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 12  1  0
 10 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 22 30  1  0
 30 31  2  0
 31 19  1  0
  9 32  1  0
 32 33  1  0
 32 34  2  0
 34  6  1  0
M  CHG  2   2   1   3  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12563

> <plate>
PLATE 021

> <well>
B3

> <supplier_cmpd_name>
Fenticonazole Nitrate

> <ctcr_id>
2474

> <supplier_cmpd_id>
T6499

> <smiles>
O[N+]([O-])=O.Clc1ccc(C(Cn2ccnc2)OCc3ccc(Sc4ccccc4)cc3)c(Cl)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{"FENTICONAZOLE NITRATE",73151-29-8,73151298,Lomexin,"Fenticonazole (Nitrate)","Fenticonazole mononitrate","REC 15/1476","Rec 15-1476","Rec 151476","Fenticonazole nitrate (USAN)",Falvin,CHEBI:83606,C2
4H21Cl2N3O4S,"EINECS 277-302-6","EINECS 2773026",Gynoxin,Fenticonazolni,T6499,S2031,"Fenticonazole Nitrate"}

> <pdid>
PD072460

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{51754}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 N   0  0
   -3.9013    3.7490    0.0000 N   0  0
   -2.6012   -3.0008    0.0000 N   0  0
   -3.9013   -3.7490    0.0000 N   0  0
    5.0990    1.5000    0.0000 O   0  0
    5.0990    0.0000    0.0000 S   0  0
    3.7998   -0.7496    0.0000 O   0  0
    6.3983   -0.7496    0.0000 O   0  0
    5.0990   -1.5000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
 10 11  1  0
 11 12  1  0
  7 13  1  0
 13 14  1  0
 15 16  1  0
 16 17  2  0
 16 18  2  0
 16 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12564

> <plate>
PLATE 021

> <well>
B4

> <supplier_cmpd_name>
Dihydralazine sulphate

> <ctcr_id>
11227

> <supplier_cmpd_id>
T3270

> <smiles>
c1ccc2c(c1)c(nnc2NN)NN.OS(=O)(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Dihydralazine sulfate",7327-87-9,7327879,"Dihydralazine sulphate","1,4-Dihydrazinophthalazine sulfate","1,4Dihydrazinophthalazine sulfate","1,4-Dihydrazinylphthalazine Sulfate","1,4Dihydrazinylphtha
lazine Sulfate","Ophthazin Sulfate","1,4-Dihydrazinophthalazine hydrogen sulfate","1,4Dihydrazinophthalazine hydrogen sulfate",UNII-1C2B1W91NK,UNII1C2B1W91NK,Depressan,1C2B,T3270}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{81764}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
    8.7556   -2.4455    0.0000 O   0  0
    9.3677   -1.0760    0.0000 C   0  0
   10.8597   -0.9218    0.0000 O   0  0
    8.4896    0.1379    0.0000 C   0  0  2  0  0  0
    8.9531    1.5645    0.0000 C   0  0
    7.7396    2.4462    0.0000 C   0  0
    6.5260    1.5645    0.0000 C   0  0
    5.0994    2.0280    0.0000 O   0  0
    6.9896    0.1379    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  1  0
 13 14  2  0
 14 15  1  0
 16 14  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12565

> <plate>
PLATE 021

> <well>
B5

> <supplier_cmpd_name>
Metadoxine

> <ctcr_id>
11228

> <supplier_cmpd_id>
T3269

> <smiles>
Cc1ncc(c(c1O)CO)CO.O=C(O)[C@@H]1CCC(=O)N1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Metadoxine,74536-44-0,74536440,UNII-EJQ7M98H5J,UNIIEJQ7M98H5J,EJQ7M98H5J,Metadoxil,Metasin,"EINECS 277-913-8","EINECS 2779138",Alcoliv,C8H11NO3.C5H7NO3,"Metadoxil (TN)","Pyridoxine mixture with Pyrro
lidonecarboxylic Acid",DTXSID80996053,HY-B1898,HYB1898,KM1622,MFCD08704232,s5060,AKOS015913487,T3269}

> <pdid>

> <targets>
{5-HT2B}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{115198}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    4.8105   -4.8024    0.0000 C   0  0
    3.3277   -4.5763    0.0000 C   0  0
    2.3903   -5.7483    0.0000 C   0  0
    0.9074   -5.5222    0.0000 O   0  0
    2.9354   -7.1458    0.0000 O   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 C   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 S   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1476   -0.7184    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20  9  1  0
 20 21  2  0
 21  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12566

> <plate>
PLATE 021

> <well>
B6

> <supplier_cmpd_name>
Zaltoprofen

> <ctcr_id>
2901

> <supplier_cmpd_id>
T6737

> <smiles>
CC(C(O)=O)c1ccc2Sc3ccccc3C(=O)Cc2c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{zaltoprofen,74711-43-6,74711436,"2-(10-oxo-10,11-dihydrodibenzo(b,f)thiepin-2-yl)propanoic acid","2(10oxo10,11dihydrodibenzo(b,f)thiepin2yl)propanoic acid",Soleton,89482-00-8,89482008,"CN 100",CN-100
,CN100,C17H14O3S,"2-(10,11-Dihydro-10-oxodibenzo(b,f)thiepin-2-yl)propionic Acid","2(10,11Dihydro10oxodibenzo(b,f)thiepin2yl)propionic Acid",10,11-Dihydro-alpha-methyl-10-oxodibenzo(b,11Dihydroalphame
thyl10oxodibenzo(b,f,T6737,S3008,Zaltoprofen}

> <pdid>
PD010506

> <targets>
{COX}

> <classes>
{Neuronal Signaling,Immunology/Inflammation}

> <pubchem_cids>
{5720}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 13  0  0  0  0            999 V2000
    5.0987   -0.7518    0.0000 K   0  3
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 S   0  0
   -3.8983   -0.7513    0.0000 O   0  0
   -2.5983   -3.0004    0.0000 O   0  0
   -3.8975   -2.2510    0.0000 O   0  5
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
  9 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
M  CHG  2   1   1  14  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12567

> <plate>
PLATE 021

> <well>
B7

> <supplier_cmpd_name>
Potassium guaiacolsulfonate

> <ctcr_id>
10967

> <supplier_cmpd_id>
T3267

> <smiles>
[K+].COc1c(O)ccc(c1)S(=O)(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Potassium 4-Hydroxy-3-methoxybenzenesulfonate","Potassium 4Hydroxy3methoxybenzenesulfonate","potassium 4-hydroxy-3-methoxybenzene-1-sulfonate","potassium 4hydroxy3methoxybenzene1sulfonate",UNII-ZL9G
A44H2A,UNIIZL9GA44H2A,"Potassium 4-guaiacolsulfonate","Potassium 4guaiacolsulfonate",16241-25-1,16241251,ZL9GA44H2A,"potassium guaiacolsulfonate","Monopotassium 4-hydroxy-3-methoxybenzenesu","Monopota
ssium 4hydroxy3methoxybenzenesu",T0284,Sulfogaiacol}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{23679005}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
    7.6943   -1.8789    0.0000 Cl  0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -6.2524    0.2436    0.0000 C   0  0
   -5.4979   -1.0529    0.0000 N   0  0
   -4.0317   -0.7359    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 12  1  0
 10 17  1  0
 17 18  2  0
 18  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12568

> <plate>
PLATE 021

> <well>
B8

> <supplier_cmpd_name>
Ozagrel hydrochloride

> <ctcr_id>
1846

> <supplier_cmpd_id>
T6625

> <smiles>
Cl.OC(=O)/C=C/c1ccc(Cn2ccnc2)cc1

> <pd_targets>
{CFTR,TBXAS1,CYP1A2,CYP2D6,CYP3A4,CYP2C19,KMT2A,MEN1,FFP}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Epigenetic regulator","Other ion channel","Cytochrome P450",Reader,Transferase,"Chloride channel","Cytochrome P450 family 5","Cytochrome P450 family 1","Cytochrome P450 family 2
","Cytochrome P450 family 3",Bromodomain,"Cystic fibrosis transmembrane conductance regulator","Cytochrome P450 family 5A","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Cytochrome P450 fami
ly 3A","Cytochrome P450 family 2C","Cytochrome P450 5A1","Cytochrome P450 1A1","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 2C19"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Other ion channels","Cytochrome P450","Chloride channels",CYP5,"CYP7 and CYP8 families","CYP1 family","CYP2 family: drug metabolising subset","CYP3 family",CFTR}

> <pathway_reactome>
{Autophagy,Metabolism,Macroautophagy,"Biological oxidations","Metabolism of lipids","Selective autophagy","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators
 (SPMs)",Aggrephagy,"Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs",Eicosanoids,Xenobiotics,"Biosynthesis of maresins","Aromatic amines can be N-hydroxylated or N-dea
lkylated by CYP1A2","CYP2E1 reactions","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{TBXAS1}

> <broad_moa>
{"thromboxane synthase inhibitor"}

> <synonyms>
{"ozagrel hydrochloride",78712-43-3,78712433,"OZAGREL HCl",UNII-W222U960HS,UNIIW222U960HS,"OKY 046","(E)-3-(4-((1H-Imidazol-1-yl)methyl)phenyl)acrylic acid hydrochloride","(E)3(4((1HImidazol1yl)methyl
)phenyl)acrylic acid hydrochloride",OKY-046,OKY046,CHEBI:31954,W222U960HS,"Ozagrel (hydrochloride)",DSSTox_CID_25506,DSSToxCID25506,DSSTox-CID-25506,"DSSTox CID 25506",DSSTox_RID_80920,DSSToxRID80920,
DSSTox-RID-80920,"DSSTox RID 80920",DSSTo,T6625,SAM001246593,Prestw-979,"Ozagrel hydrochloride",CPD000469164}

> <pdid>
PD000221

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{50987034,6438130}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 36  0  0  0  0            999 V2000
   11.5279   -5.8514    0.0000 H   0  3
    9.0279   -5.8514    0.0000 Cl  0  5
    0.7549   -8.5847    0.0000 C   0  0
    2.2459   -8.7488    0.0000 C   0  0
    3.1332   -7.5416    0.0000 C   0  0
    2.6747   -6.1134    0.0000 N   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4947    0.7442    0.0000 Cl  0  0
   -3.8967    0.7484    0.0000 C   0  0
    5.1017   -6.1218    0.0000 C   0  0
    6.5271   -5.6548    0.0000 O   0  0
    4.6332   -7.5468    0.0000 N   0  0
    5.5071   -8.7638    0.0000 C   0  0
    4.8900  -10.1319    0.0000 C   0  0
    5.7654  -11.3509    0.0000 O   0  0
    5.1482  -12.7190    0.0000 C   0  0
    6.0214  -13.9387    0.0000 C   0  0
    5.4018  -15.3047    0.0000 C   0  0
    3.9089  -15.4511    0.0000 C   0  0
    3.0357  -14.2315    0.0000 C   0  0
    3.6553  -12.8655    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 17  1  0
  7 24  1  0
 24 25  2  0
 24 26  1  0
 26  5  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12569

> <plate>
PLATE 021

> <well>
B9

> <supplier_cmpd_name>
Nefazodone hydrochloride

> <ctcr_id>
6177

> <supplier_cmpd_id>
T3275

> <smiles>
[H+].[Cl-].CCC1=NN(CCCN2CCN(CC2)c3cccc(Cl)c3)C(=O)N1CCOc4ccccc4

> <pd_targets>
{KMT2A,MEN1,LMNA,MAPT,NPSR1,ACHE,HTR2A,SLC6A4,HTR1A,SLC6A2,CYP3A4,ADRA1A,DRD2,HTR2C,ABCB11,ADRA2A,ADRA2C,SLC6A3,HRH1,CHRM2,ABCB1,ABCC4,ADRA1B,KCNH2}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein","Other cytosolic protein","Membrane receptor",Enzyme,Transporter,"Ion channel",Reader,"Family A G protein-coupled receptor",Hydrolase,"Electrochemical t
ransporter","Cytochrome P450","Primary active transporter","Voltage-gated ion channel",Bromodomain,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","SLC superfamily of solu
te carriers","Cytochrome P450 family 3","ATP-binding cassette","Potassium channels","Short peptide receptor (family A GPCR)","Monoamine receptor","SLC06 neurotransmitter transporter family","Cytochrom
e P450 family 3A","ABCB subfamily","ABCC subfamily","Voltage-gated potassium channel","Neuropeptide receptor","Serotonin receptor","Cytochrome P450 3A4","Adrenergic receptor","Dopamine receptor","Hist
amine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","G protein-coupled receptors","Acetylcholine turnover","SLC superfamily of solute carriers","Cytochrome P450","ATP-binding cassette transporter family","
Voltage-gated ion channels","Neuropeptide S receptor","5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","CYP3 family",Adrenoceptors,"Dopamine receptors","ABCB subfamily","Hist
amine receptors","Acetylcholine receptors (muscarinic)","ABCC subfamily","Potassium channels","Monoamine transporter subfamily","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System",Disease,Metabolism,"Signal Transduction",Hemostasis,"Muscle contraction",Mitotic,"Transmission across Chemical Synapses","Infectious disease","Metabolism of lipids","Si
gnaling by GPCR","Disorders of transmembrane transporters","Abacavir transport and metabolism","Platelet activation","signaling and aggregation","Cardiac conduction","M Phase","Neurotransmitter recept
ors and postsynaptic signal transmission","Leishmania infection","Phospholipid metabolism","GPCR ligand binding","Neurotransmitter clearance","SLC transporter disorders","Biosynthesis of specialized p
roresolving mediators (SPMs)","Metabolism of steroids","Abacavir transmembrane transport","Response to elevated platelet cytosolic Ca2+","Phase 3 - rapid repolarisation","Mitotic Metaphase and Anaphas
e","Activation of NMDA receptors and postsynaptic events","Leishmania parasite growth and survival","Glycerophospholipid biosynthesis","Class A/1 (Rhodopsin-like receptors)","Serotonin clearance from 
the synaptic cleft","Defective SLC6A2 causes orthostatic intolerance (OI)","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","Defective SLC6A3 causes Parkinsonism-dystonia infant
ile (PKDYS)","Platelet degranulation","Mitotic Anaphase","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of PC","Amine ligand-bin
ding receptors","Biosynthesis of maresins","Synthesis of bile acids and bile salts","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cyt
okines production","Serotonin receptors","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Dopamine receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Histamine recept
ors","Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA2A,CYP3A4,HTR1A,HTR2A,HTR2C,SLC6A2,SLC6A3,SLC6A4}

> <broad_moa>
{"adrenergic inhibitor","norepinephrine reuptake inhibitor","serotonin receptor antagonist","serotonin reuptake inhibitor"}

> <synonyms>
{RESTW115,"NEFAZODONE HYDROCHLORIDE",82752-99-6,82752996,"Nefazodone Hcl",Serzone,Dutonin,Menfazona,Rulivan,Reseril,"BMY 13754","Nefazodone (hydrochloride)",BMY-13754,BMY13754,Nefadar,UNII-27X63J94GR,
UNII27X63J94GR,MJ-13754-1,MJ137541,"MJ 13,754-1","MJ 13,7541",CHEBI:7495,27X63J94GR,MFCD00935760,DSSTox_CID_,DSSToxCID,DSSTox-CID-,"DSSTox CID",T3275,SAM001246653,Prestw-1152,"Nefazodone hydrochloride
",CPD000449297,"Nefazodone HCl"}

> <pdid>
PD001694

> <targets>
{5-HT Receptor,Adrenergic Receptor}

> <classes>
{GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{25137870,54911}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 35  0  0  1  0            999 V2000
    7.0435   -7.0231    0.0000 C   0  0
    6.2930   -8.3219    0.0000 C   0  0
    4.7922   -8.3224    0.0000 O   0  0
    4.0413   -9.6219    0.0000 C   0  0
    4.7913  -10.9209    0.0000 O   0  0
    2.5405   -9.6223    0.0000 C   0  0  2  0  0  0
    1.7882  -10.9210    0.0000 C   0  0
    2.5359  -12.2223    0.0000 C   0  0
    1.7837  -13.5210    0.0000 C   0  0
    2.5291  -14.8227    0.0000 C   0  0
    1.7746  -16.1191    0.0000 C   0  0
    0.2746  -16.1139    0.0000 C   0  0
   -0.4709  -14.8122    0.0000 C   0  0
    0.2836  -13.5158    0.0000 C   0  0
    1.7928   -8.3210    0.0000 N   0  0
    2.5451   -7.0223    0.0000 C   0  0  1  0  0  0
    3.5451   -7.0241    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    0.2974   -5.7184    0.0000 O   0  0
    2.5497   -4.4224    0.0000 N   0  0
    4.0505   -4.4281    0.0000 C   0  0
    4.7968   -5.7302    0.0000 C   0  0
    6.2967   -5.7359    0.0000 O   0  0
    4.2937   -6.5945    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    9.5439   -7.3095    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  6 15  1  0
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 20 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 32 33  1  0
 33 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12570

> <plate>
PLATE 021

> <well>
B10

> <supplier_cmpd_name>
Delapril Hydrochloride

> <ctcr_id>
11230

> <supplier_cmpd_id>
T3281

> <smiles>
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ACE}

> <broad_moa>
{"angiotensin converting enzyme inhibitor"}

> <synonyms>
{"delapril hydrochloride","Delapril HCl",83435-67-0,83435670,"REV 6000A",UNII-2SMM3M5ZMH,UNII2SMM3M5ZMH,2SMM3M5ZMH,CV-3317,CV3317,"Delapril (hydrochloride)","CV 3317","CCRIS 1925","Delapril hydrochlor
ide (USAN:JAN)",NCGC00181755-01,NCGC0018175501,Cupressin,Delaket,Adecut,C26H32N,T3281,Delapril Hydrochloride}

> <pdid>
PD014193

> <targets>
{ACE}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{5362115}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 20  0  0  0  0            999 V2000
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 P   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    0.0011    1.5002    0.0000 O   0  5
    3.9000    0.7500    0.0000 P   0  0
    5.1992    0.0004    0.0000 O   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.1989    1.5002    0.0000 O   0  5
    2.6000   -1.5000    0.0000 Cl  0  0
    1.3011   -0.7502    0.0000 Cl  0  0
   27.8999    0.3750    0.0000 O   0  0
   25.3999    0.3750    0.0000 Na  0  3
   10.2999    0.0000    0.0000 C   0  0
    9.0000    0.7500    0.0000 P   0  0
    7.7007    0.0004    0.0000 O   0  0
    9.0000    2.2500    0.0000 O   0  0
    7.7010    1.5002    0.0000 O   0  5
   11.5999    0.7500    0.0000 P   0  0
   12.8992    0.0004    0.0000 O   0  0
   11.5999    2.2500    0.0000 O   0  0
   12.8988    1.5002    0.0000 O   0  5
   10.2999   -1.5000    0.0000 Cl  0  0
    9.0010   -0.7502    0.0000 Cl  0  0
   22.8999    0.3750    0.0000 O   0  0
   20.3999    0.3750    0.0000 Na  0  3
   17.8999    0.3750    0.0000 O   0  0
   15.3999    0.3750    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  1  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 14 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
 14 23  1  0
 14 24  1  0
M  CHG  6   5  -1   9  -1  13   1  18  -1  22  -1  26   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12571

> <plate>
PLATE 021

> <well>
B11

> <supplier_cmpd_name>
Disodium clodronate tetrahydrate

> <ctcr_id>
11231

> <supplier_cmpd_id>
T3280

> <smiles>
C(P(=O)(O)[O-])(P(=O)(O)[O-])(Cl)Cl.O.[Na+].C(P(=O)(O)[O-])(P(=O)(O)[O-])(Cl)Cl.O.[Na+].O.O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T3280,"Disodium clodronate tetrahydrate"}

> <pdid>
PD015225

> <targets>
{IL-1¦Â,IL-6,TNF-¦Á}

> <classes>
{Apoptosis,Immunology/Inflammation}

> <pubchem_cids>
{133640198}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 49  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.9019   -5.2406    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1894   -6.0109    0.0000 N   0  0
   -5.1894   -7.5110    0.0000 C   0  0
   -6.4884   -8.2610    0.0000 C   0  0
   -7.7875   -7.5110    0.0000 N   0  0
   -7.7875   -6.0110    0.0000 C   0  0
   -6.4885   -5.2610    0.0000 C   0  0
   -9.0882   -8.2597    0.0000 C   0  0
  -10.3867   -7.5071    0.0000 C   0  0
  -10.3874   -6.0071    0.0000 C   0  0
  -11.6867   -5.2576    0.0000 C   0  0
  -12.9855   -6.0081    0.0000 C   0  0
  -12.9849   -7.5081    0.0000 C   0  0
  -11.6855   -8.2576    0.0000 C   0  0
   -9.0897   -9.7605    0.0000 C   0  0
   -7.7930  -10.5146    0.0000 C   0  0
   -7.7975  -12.0145    0.0000 C   0  0
   -9.0988  -12.7606    0.0000 C   0  0
  -10.3956  -12.0066    0.0000 C   0  0
  -10.3910  -10.5067    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11  5  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
 29 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 32 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 39  1  0
  9 45  1  0
M  CHG  2  18   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12572

> <plate>
PLATE 021

> <well>
C2

> <supplier_cmpd_name>
Manidipine

> <ctcr_id>
6604

> <supplier_cmpd_id>
T6577

> <smiles>
COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OCCN3CCN(CC3)C(c4ccccc4)c5ccccc5)C

> <pd_targets>
{RORC,ABCB1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNA1A,CACNB1,CACNB2,CACNB3,CACNB4,CACNA1G,CACNA1H,CACNA1I}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transporter,"Ion channel","Nuclear receptor",Protease,"Primary active transporter","Voltage-gated ion channel","Nuclear hormone receptor subfamily 1","Cysteine protease"
,"ATP-binding cassette","Voltage-gated calcium channel","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member
 3","Cysteine protease C1A family"}

> <pathway_chembl>
{Receptors,Transporters,"Nuclear hormone receptors","ATP-binding cassette transporter family","1F. Retinoic acid-related orphans","ABCB subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Abacavir transport and metabolism","Generic Transcription Pathway","Abacavir transmembrane transport","Transcriptional 
regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{CACNA1C,CACNA1D}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{manidipine,89226-50-6,89226506,120092-68-4,120092684,"Manidipine 6300",Artedil,Iperten,"Manidipine (INN)","Manidipine (Manyper)",C35H38N4O6,Franidipine,"CV 4093",CHEMBL312176,MFCD00871291,SMR00350079
3,NCGC00167493-01,NCGC0016749301,NCGC00167493-04,NCGC0016749304,"Manidipine 6300 (INN)",Arted,T0193,T6577,S2481,"Manidipine dihydrochloride",Manidipine}

> <pdid>
PD001137

> <targets>
{"Calcium Channel"}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{4008}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 35  0  0  1  0            999 V2000
   13.2961    0.1084    0.0000 Na  0  3
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.7488   -2.7970    0.0000 C   0  0  1  0  0  0
    2.0479   -2.0470    0.0000 C   0  0
    3.0138   -2.3058    0.0000 O   0  0
    1.8122   -3.8510    0.0000 N   0  0
    3.2621   -3.4631    0.0000 C   0  0
    3.5209   -2.4972    0.0000 O   0  0
    4.3236   -4.5241    0.0000 C   0  0
    5.7734   -4.1362    0.0000 S   0  0
    6.8349   -5.1972    0.0000 C   0  0
    8.2847   -4.8093    0.0000 C   0  0  2  0  0  0
    9.3463   -5.8703    0.0000 C   0  0
   10.7953   -5.4826    0.0000 O   0  0
    8.9579   -7.3191    0.0000 O   0  0
    8.6731   -3.3604    0.0000 N   0  0
   -0.6994   -3.1785    0.0000 O   0  0
   -1.0886   -4.6271    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 S   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.5205    6.1100    0.0000 N   0  0
   -2.0570    7.5366    0.0000 N   0  0
   -0.5570    7.5366    0.0000 N   0  0
   -0.0935    6.1100    0.0000 N   0  0
   -3.9443    5.6380    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0031    0.0000 O   0  0
    3.8976    0.7554    0.0000 O   0  5
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  7  6  1  1
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9  2  1  0
  9 10  2  0
  8 11  1  1
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 17 21  1  1
  8 22  1  0
 22 23  1  0
  4 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  2  0
 27 31  1  0
  3 32  1  0
 32 33  2  0
 32 34  1  0
M  CHG  2   1   1  34  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12573

> <plate>
PLATE 021

> <well>
C3

> <supplier_cmpd_name>
Cefminox Sodium

> <ctcr_id>
11232

> <supplier_cmpd_id>
T3263

> <smiles>
[Na+].N12C(=C(CS[C@@H]1[C@@](C2=O)(NC(=O)CSC[C@H](C(=O)O)N)OC)CSc1n(nnn1)C)C(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"cefminox sodium",Meicelin,"Antibiotic MT-141","Antibiotic MT141",UNII-YNM4DBJ3N8,UNIIYNM4DBJ3N8,75498-96-3,75498963,YNM4DBJ3N8,"Cefminox (sodium)",Mt-141,Mt141,C16H20N7O7S3.Na,Alteporina,92636-39-0,
92636390,Tencef,"Cefminox sodium (JAN)","Cefminox,(S)",CHEBI:31371,8072AH,CCG-269966,CCG269966,H831,HY-128,HY128,T3263,"Cefminox Sodium"}

> <pdid>

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{23663397}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 13  0  0  0  0            999 V2000
   10.1894   -2.2554    0.0000 H   0  3
    7.6894   -2.2554    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12574

> <plate>
PLATE 021

> <well>
C4

> <supplier_cmpd_name>
Etilefrine hydrochloride

> <ctcr_id>
5745

> <supplier_cmpd_id>
T3264

> <smiles>
[H+].[Cl-].CCNCC(O)c1cccc(O)c1

> <pd_targets>
{GALR3}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Galanin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Galanin receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors"}

> <broad_targets>
{ADRA1A,ADRB1}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{RESTW101,"etilefrine hydrochloride",943-17-9,943179,"Etilefrine HCl",Effontil,"Etilefrin Hydrochloride",Funasol,Phetanol,Updormin,"Ethyl adrianol",534-87-2,534872,"3-(2-(ethylamino)-1-hydroxyethyl)ph
enol hydrochloride","3(2(ethylamino)1hydroxyethyl)phenol hydrochloride","Etilefrine (hydrochloride)","Etilefrine hydroc",Prestw-1017,"Etilefrine hydrochloride"}

> <pdid>
PD009075

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{164652,74764343,13668}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.0956    4.0166    0.0000 C   0  0
    0.4767    5.3830    0.0000 C   0  0
   -1.0140    5.2166    0.0000 C   0  0  2  0  0  0
   -1.9861    4.9820    0.0000 O   0  0
   -0.5491    6.6300    0.0000 C   0  0
    0.9239    6.9135    0.0000 C   0  0
   -1.5307    7.7642    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0  2  0  0  0
   -2.1132    4.3307    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.1651    0.2500    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2990   -1.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  0
 10 12  2  0
  8 13  1  0
 13  5  1  0
 13 14  1  1
 13 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18  4  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  3
 27  2  1  0
 27 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12575

> <plate>
PLATE 021

> <well>
C5

> <supplier_cmpd_name>
Fluoromethalone

> <ctcr_id>
3736

> <supplier_cmpd_id>
T3316

> <smiles>
C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)C[C@H](O)[C@]2(F)C4(C)C=CC(=O)C=C14

> <pd_targets>
{RORC,GAA,PGR,HIF1A,NR1I2,AR,NR3C1,HTT}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein","Nuclear receptor",Hydrolase,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1 g
roup F","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 3 grou
p C member 3","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","3.2.1.- Glycosidases","1F. Retinoic acid-related orphans","1I. Vitamin D receptor-like receptors","Steroid hormone receptors","3C. 3-Ketosteroid recepto
rs"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cellular responses to external stimuli","Metabolism of proteins","RNA Polymerase II Transcription","Diseases of metabolism","Cellular responses to stress","
Post-translational protein modification","Generic Transcription Pathway","Diseases of carbohydrate metabolism","Cellular response to hypoxia",SUMOylation,"Transcriptional regulation by RUNX3","Glycoge
n storage diseases","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX2","FOXO-mediated transcri
ption","Transcriptional Regulation by MECP2","RUNX3 Regulates Immune Response and Cell Migration","Glycogen storage disease type II (GAA)","SUMOylation of intracellular receptors","RUNX2 regulates bon
e development","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Regulation of MECP2 expression and activity","RUNX2 regulates osteoblast differentiation"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{Spectrum_001832,Spectrum001832,Spectrum-001832,"Spectrum 001832",Spectrum2_001266,Spectrum2001266,Spectrum2-001266,"Spectrum2 001266",Spectrum3_000433,Spectrum3000433,Spectrum3-000433,"Spectrum3 0004
33",Spectrum4_000556,Spectrum4000556,Spectrum4-000556,"Spectrum4 000556",Spectrum5_000716,Spectrum5000716,Spectrum5-000716,"Spectrum5 000716",BSPBio_002046,BSPBio002046,BSPBio-002046,"BSPBio 002046",K
BioGR_001251,KBioGR001251,KBioGR-001251,"KBioGR 001251",KBioSS_002337,KBioSS002337,KBioSS-002337,"KBioSS 002337",DivK1c_000019,DivK1c000019,DivK1c-000019,"DivK1c 000019",SPECTRUM1500304,SPBio_001232,S
PBio001232,SPBio-001232,"SPBio 001232",CHEMBL3039448,HMS500A21,KBio1_000019,KBio1000019,KBio1-000019,"KBio1 000019",KBio2_002334,KBio2002334,KBio2-002334,"KBio2 002334",KBio2_004902,KBio2004902,KBio2-
004902,"KBio2 004902",KBio2_0,KBio20,KBio2-0,"KBio2 0",T3316,1500304,Fluoromethalone,FLUOROMETHOLONE}

> <pdid>
PD002328

> <targets>
{}

> <classes>
{glucocorticoid,antiinflammatory}

> <pubchem_cids>
{5702058}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 45  0  0  0  0            999 V2000
   -3.6915   -7.4420    0.0000 C   0  0
   -2.6931   -6.3225    0.0000 O   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8805   -1.4410    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8525    1.3572    0.0000 C   0  0
   -8.8524    0.2390    0.0000 C   0  0
   -8.0978   -1.0574    0.0000 C   0  0
   -6.6317   -0.7404    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.1844   -9.7837    0.0000 C   0  0
    0.1863  -10.9034    0.0000 O   0  0
    2.6539  -10.0888    0.0000 N   0  0
    3.1253  -11.5137    0.0000 S   0  0
    1.6565  -11.2094    0.0000 O   0  0
    2.1272  -12.6334    0.0000 O   0  0
    4.5948  -11.8188    0.0000 C   0  0
    5.0650  -13.2432    0.0000 C   0  0
    6.5337  -13.5481    0.0000 C   0  0
    7.5321  -12.4287    0.0000 C   0  0
    7.0619  -11.0043    0.0000 C   0  0
    5.5932  -10.6994    0.0000 C   0  0
    5.1230   -9.2750    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 22  1  0
 17 27  1  0
 27 28  2  0
 28 10  1  0
 28 14  1  0
  5 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  2  0
 32 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 35  1  0
 40 41  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12576

> <plate>
PLATE 021

> <well>
C6

> <supplier_cmpd_name>
Zafirlukast

> <ctcr_id>
1572

> <supplier_cmpd_id>
T6736

> <smiles>
COc1cc(ccc1Cc2cn(C)c3ccc(NC(=O)OC4CCCC4)cc23)C(=O)N[S](=O)(=O)c5ccccc5C

> <pd_targets>
{CYSLTR1,MAPK14,PPARG,KMT2A,MEN1,POLB,ABCB11,CYSLTR2,NPSR1,RECQL,MAPT,RORC,MAPK3,MAPK1,SKA,CYP2C9,NR1I2,EPHX2,PLA2G4A,LTB4R2,LTB4R,SLC47A1,ABCC4,SLC10A1,TBXAS1,SLC47A2,PTGES,ABCC2,ADORA3,EGFR,SLC22A2}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Transcription factor","Epigenetic regulator",Transporter,"Other cytosolic protein","Family A G protein-coupled receptor",Kinase,"Nuclear receptor",Reader,"Primary active t
ransporter","Cytochrome P450",Protease,"Electrochemical transporter",Isomerase,"Small molecule receptor (family A GPCR)","Protein Kinase","Nuclear hormone receptor subfamily 1",Bromodomain,"ATP-bindin
g cassette","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Serine protease","SLC superfamily of solute carriers","Cytochrome P450 family 5","Lipid-like ligand receptor (family A GPCR)"
,"CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group C","ABCB subfamily","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 fa
mily 2C","Nuclear hormone receptor subfamily 1 group I","Serine protease SC clan","SLC47 family of multidrug and toxin extrusion transporters","ABCC subfamily","SLC10 family of sodium-bile acid co-tra
nsporters","Cytochrome P450 family 5A","Nucleotide-like receptor (family A GPCR)","TK protein kinase group","SLC22 family of organic cation and anion transporters","Leukotriene receptor","CMGC protein
 kinase MAPK family","Nuclear hormone receptor subfamily 1 group C member 3","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Nuclear hormone rece
ptor subfamily 1 group I member 2","Serine protease S33 family","Cytochrome P450 5A1","Adenosine receptor","Tyrosine protein kinase EGFR family","CMGC protein kinase p38 subfamily","CMGC protein kinas
e ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","ATP-binding cassette transporter family","Cytochrome P450",Hydrolases,"Glycerophosphol
ipid turnover","SLC superfamily of solute carriers","Eicosanoid turnover","Catalytic receptors","Leukotriene receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1C. Peroxisome proliferator-act
ivated receptors","ABCB subfamily","Neuropeptide S receptor","1F. Retinoic acid-related orphans","CYP2 family: drug metabolising subset","1I. Vitamin D receptor-like receptors","Phospholipase A<sub>2<
/sub>","SLC47 family of multidrug and toxin extrusion transporters","ABCC subfamily","SLC10 family of sodium-bile acid co-transporters",CYP5,"CYP7 and CYP8 families","Prostaglandin synthases","Adenosi
ne receptors","Receptor kinases","SLC22 family of organic cation and anion transporters","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","Organic cation transporters (OCT)","p3
8 subfamily","ERK subfamily","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{Disease,"Immune System","Gene expression (Transcription)","DNA Repair",Metabolism,"Neuronal System","Metabolism of proteins","Signal Transduction","Transport of small molecules",Hemostasis,"Infectiou
s disease","Innate Immune System","RNA Polymerase II Transcription","Base Excision Repair","Metabolism of lipids","Transmission across Chemical Synapses","Biological oxidations","Post-translational pr
otein modification","Signaling by GPCR","SLC-mediated transmembrane transport","Platelet activation","signaling and aggregation","Disorders of transmembrane transporters","Leishmania infection","Toll-
like Receptor Cascades","Generic Transcription Pathway","Resolution of Abasic Sites (AP sites)","Metabolism of steroids","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Fu
nctionalization of compounds",SUMOylation,"Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","GPCR ligand binding","Transport of bile salts and organic acids","me
tal ions and amine compounds","Response to elevated platelet cytosolic Ca2+","Fatty acid metabolism","ABC transporter disorders","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) 
Cascade","Transcriptional Regulation by MECP2","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Bile acid and bile salt metabolism","Activation of NMDA receptors and pos
tsynaptic events","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DHA-derived SPMs","G alpha (i) signa
lling events","Class A/1 (Rhodopsin-like receptors)","Platelet degranulation","Arachidonic acid metabolism","Defective ABCC2 causes DJS","G alpha (q) signalling events","Organic cation/anion/zwitterio
n transport","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","MECP2 regulates transcription factors","PCNA-Dependent Long Patch Base E
xcision Repair","Synthesis of bile acids and bile salts","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration",Xenobiotics,"SUMOylation of intracellular receptors
","Biosynthesis of maresins","Opioid Signalling","Eicosanoid ligand-binding receptors","Recycling of bile acids and salts",Eicosanoids,"Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Nucleot
ide-like (purinergic) receptors","Gastrin-CREB signalling pathway via PKC and MAPK","Organic cation transport","LTC4-CYSLTR mediated IL4 production","MAP kinase activation","Synthesis of bile acids an
d bile salts via 7alpha-hydroxycholesterol","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","G-protein mediated events","Leukotri
ene receptors","Adenosine P1 receptors","EGFR Transactivation by Gastrin","MAPK targets/ Nuclear events mediated by MAP kinases","PLC beta mediated events","Activation of the AP-1 family of transcript
ion factors","ERK/MAPK targets","Ca-dependent events","ERKs are inactivated","phospho-PLA2 pathway"}

> <broad_targets>
{CYSLTR1,CYSLTR2}

> <broad_moa>
{"leukotriene receptor antagonist"}

> <synonyms>
{RESTW136,zafirlukast,107753-78-6,107753786,Accolate,Olmoran,ICI-204219,ICI204219,Accoleit,"ICI 204219","ICI 204,219",C31H33N3O6S,UNII-XZ629S5L50,UNIIXZ629S5L50,"Zafirlukast (Accolate)",CHEMBL603,Aero
nix,CHEBI:10100,XZ629S5L50,MFCD00864775,NCGC00164547-01,NCGC0016454701,NCGC00164547-06,NCGC0016454706,Vanticon,DSSTox_,DSSTox,DSSTox-,T6736,SAM001246577,Prestw-1364,Zafirlukast,CPD000466316}

> <pdid>
PD002945

> <targets>
{Leukotriene Receptor}

> <classes>
{GPCR/G Protein}

> <pubchem_cids>
{5717}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
   12.9956   -4.4926    0.0000 C   0  0
   11.6977   -5.2444    0.0000 C   0  0
   10.3964   -4.4967    0.0000 O   0  0
    9.0977   -5.2490    0.0000 C   0  0
    9.1003   -6.7490    0.0000 O   0  0
    7.7964   -4.5012    0.0000 C   0  0
    6.4973   -5.2512    0.0000 C   0  0
    5.1983   -4.5012    0.0000 C   0  0
    5.1983   -3.0012    0.0000 C   0  0
    6.4973   -2.2512    0.0000 N   0  0
    7.7964   -3.0012    0.0000 C   0  0
    3.8985   -2.2508    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 S   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2817   -2.2191    0.0000 C   0  0
   -3.9144   -2.2193    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  3  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 17  1  0
 24 25  2  0
 25 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12577

> <plate>
PLATE 021

> <well>
C7

> <supplier_cmpd_name>
Tazarotene

> <ctcr_id>
3067

> <supplier_cmpd_id>
T6696

> <smiles>
CCOC(=O)c1ccc(nc1)C#Cc2ccc3SCCC(C)(C)c3c2

> <pd_targets>
{CYP3A4,RARB,KMT2A,RARG,RARA,RXRB}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Cytochrome P450","Nuclear receptor",Reader,"Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1",Bromodomain,"Nuclear hormone recepto
r subfamily 2","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group B","Nuclear hormone receptor subfamily 2 group B","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 gro
up B member 2","Nuclear hormone receptor subfamily 1 group B member 3","Nuclear hormone receptor subfamily 1 group B member 1","Nuclear hormone receptor subfamily 2 group B member 2"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Nuclear hormone receptors","Chromatin modifying enzymes","CYP3 family","1B. Retinoic acid receptors","2.1.1.43 Histone methyltransferases (HMTs)","2B. Retinoid X 
receptors"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of proteins","Metabolism of lipids","RNA Polymerase II Transcription","Post-translational protein modification","Biosynthesis of specialized p
roresolving mediators (SPMs)","Generic Transcription Pathway",SUMOylation,"Biosynthesis of DHA-derived SPMs","Nuclear Receptor transcription pathway","Transcriptional regulation by RUNX1","SUMO E3 lig
ases SUMOylate target proteins","Biosynthesis of maresins","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","SUMOylation of intracellular receptors","Biosynthesi
s of maresin-like SPMs"}

> <broad_targets>
{RARA,RARB,RARG,RXRB}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{tazarotene,118292-40-3,118292403,Tazorac,Zorac,"Ethyl 6-((4,4-dimethylthiochroman-6-yl)ethynyl)nicotinate","Ethyl 6((4,4dimethylthiochroman6yl)ethynyl)nicotinate",Avage,AGN-190168,AGN190168,Fabior,"A
GN 190168","Tazarotene (Avage)",UNII-81BDR9Y8PS,UNII81BDR9Y8PS,C21H21NO2S,81BDR9Y8PS,CHEMBL1657,CHEBI:32184,NCGC00167525-01,NCGC0016752501,"ethyl 6-((4","ethyl 6((4",4-,4,T6696,S1569,Tazarotene}

> <pdid>
PD009714

> <targets>
{Others,Autophagy,RAR/RXR}

> <classes>
{Others,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5381}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 49 53  0  0  0  0            999 V2000
    5.4906   -3.1470    0.0000 C   0  0
    3.9988   -3.3042    0.0000 C   0  0
    3.3879   -4.6751    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.0157   -3.6164    0.0000 N   0  0
    1.6281   -2.2462    0.0000 C   0  0
    3.1202   -2.0921    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    2.4258    1.2743    0.0000 C   0  0
    1.9623    2.7009    0.0000 C   0  0
    0.4623    2.7009    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  0
   -3.1255   -2.0835    0.0000 C   0  0
   -4.0102   -3.2959    0.0000 N   0  0
   -5.5026   -3.1369    0.0000 C   0  0
   -6.1103   -1.7655    0.0000 O   0  0
   -6.3873   -4.3492    0.0000 C   0  0
   -7.8796   -4.1902    0.0000 N   0  0
   -8.7643   -5.4026    0.0000 C   0  0
   -8.1566   -6.7740    0.0000 O   0  0
  -10.2567   -5.2435    0.0000 C   0  0
  -11.1427   -6.4540    0.0000 C   0  0
  -12.6339   -6.2920    0.0000 N   0  0
  -13.2392   -4.9196    0.0000 C   0  0
  -12.3534   -3.7091    0.0000 C   0  0
  -10.8621   -3.8711    0.0000 N   0  0
   -5.7793   -5.7213    0.0000 C   0  0
   -6.6614   -6.9346    0.0000 C   0  0
   -6.0518   -8.3052    0.0000 C   0  0
   -4.5601   -8.4626    0.0000 C   0  0
   -3.6779   -7.2494    0.0000 C   0  0
   -4.2875   -5.8788    0.0000 C   0  0
   -3.7364   -0.7126    0.0000 C   0  0
   -5.2281   -0.5554    0.0000 C   0  0
   -4.3463    0.6578    0.0000 C   0  0
   -2.8547    0.5009    0.0000 C   0  0
    1.2830   -6.2026    0.0000 C   0  0
   -0.2091   -6.3568    0.0000 O   0  0
    2.1626   -7.4186    0.0000 C   0  0
    3.6547   -7.2645    0.0000 O   0  0
    1.5502   -8.7888    0.0000 N   0  0
    2.4298  -10.0049    0.0000 C   0  0
    2.5330  -11.4227    0.0000 C   0  0
    3.7464  -10.5409    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  9  1  0
 13 14  1  0
 14 15  1  0
 15  8  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 22 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
 18 38  1  0
 38 39  1  0
 38 40  1  0
 38 41  1  0
  4 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 47  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12578

> <plate>
PLATE 021

> <well>
C8

> <supplier_cmpd_name>
Telaprevir

> <ctcr_id>
4301

> <supplier_cmpd_id>
T6190

> <smiles>
CCCC(NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)C(NC(=O)c3cnccn3)C4CCCCC4)C(C)(C)C)C(=O)C(=O)NC5CC5

> <pd_targets>
{CELA1,ELANE,CTSB,CTSV,CTSK,CTSS,PLG,CTSL,CMA1,CTSA,NS3,NS4A,NS3/4A,SLCO1B1,SLCO2B1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,Protease,"Electrochemical transporter","Serine protease","Cysteine protease","SLC superfamily of solute carriers","Serine protease PA clan","Cysteine proteas
e CA clan","Serine protease SC clan","SLC21/SLCO family of organic anion transporting polypeptides","Serine protease S1A subfamily","Cysteine protease C1A family","Serine protease S10 family","Serine 
protease S29 family","Serine protease S29 regulatory subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Peptidases and proteinases","SLC superfamily of solute carriers","PA: Serine (S) Peptidases","CA: Cysteine (C) Peptidases","SC: Serine (S) Peptidases","SLCO family of organic an
ion transporting polypeptides","S1: Chymotrypsin","C1: Papain","S10: Carboxypeptidase Y"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)",Hemostasis,Disease,"Extracellular matrix organization","Metabolism of proteins",Metabolism,"Transport of small molecules","Innate Immune System","RNA
 Polymerase II Transcription","Adaptive Immune System","Platelet activation","signaling and aggregation","Infectious disease","Degradation of the extracellular matrix","Post-translational protein modi
fication","Metabolism of lipids","SLC-mediated transmembrane transport","Complement cascade","Toll-like Receptor Cascades","Generic Transcription Pathway","Class I MHC mediated antigen processing & pr
esentation","Response to elevated platelet cytosolic Ca2+","SARS-CoV Infections","Activation of Matrix Metalloproteinases","Asparagine N-linked glycosylation","Metabolism of steroids","Transport of vi
tamins",nucleosides,"and related molecules","Regulation of Complement cascade","Trafficking and processing of endosomal TLR","Transcriptional regulation by RUNX1","Antigen processing-Cross presentatio
n","Platelet degranulation","SARS-CoV-1 Infection","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosaccharide","LLO) and transfer to a nascent protein","Bile acid and bile salt met
abolism","Transport of organic anions","RUNX1 regulates transcription of genes involved in differentiation of keratinocytes","Endosomal/Vacuolar pathway","Attachment and Entry","Synthesis of substrate
s in N-glycan biosythesis","Recycling of bile acids and salts","Sialic acid metabolism"}

> <broad_targets>
{CTSA,PGR}

> <broad_moa>
{"HCV inhibitor"}

> <synonyms>
{Telaprevir-(d4),Telaprevir(d4),SCHEMBL349033,BCP01919,LS-15379,LS15379,"VX950;VX-950;VX 950","VX950;VX950;VX 950",FT-0674831,FT0674831,T6190,S1538,Telaprevir,"Telaprevir (VX-950)"}

> <pdid>
PD009331

> <targets>
{"HCV Protease"}

> <classes>
{Proteases}

> <pubchem_cids>
{21889836}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 25  0  0  1  0            999 V2000
    0.1500   -2.8200    0.0000 O   0  0
    1.8400   -2.8200    0.0000 C   0  0  1  0  0  0
    2.6900   -1.3600    0.0000 C   0  0  1  0  0  0
    1.8400    0.1000    0.0000 C   0  0  2  0  0  0
    2.6900    1.5700    0.0000 C   0  0
    1.8400    3.0300    0.0000 C   0  0
    0.1500    3.0300    0.0000 C   0  0  2  0  0  0
   -0.6900    1.5700    0.0000 C   0  0  1  0  0  0
    0.1500    0.1000    0.0000 C   0  0  2  0  0  0
   -0.6900   -1.3600    0.0000 C   0  0  1  0  0  0
   -1.9100   -1.3600    0.0000 O   0  0
   -2.7600   -0.5000    0.0000 C   0  0  2  0  0  0
   -2.1000    0.1500    0.0000 O   0  0
   -1.1700    0.6900    0.0000 O   0  0
   -2.7600    0.7100    0.0000 C   0  0
   -1.9100    1.5700    0.0000 C   0  0
   -1.3725    0.0700    0.0000 C   0  0
   -0.6010    4.3285    0.0000 C   0  0
    4.1900   -1.3600    0.0000 C   0  0
    2.5846   -4.1210    0.0000 O   0  0
    1.8301   -5.4184    0.0000 C   0  0
    2.5752   -6.7203    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  9 10  1  0
 10  1  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
  9 14  1  6
 12 15  1  0
 15 16  1  0
  8 16  1  1
 12 17  1  6
  7 18  1  6
  3 19  1  1
  2 20  1  1
 20 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12579

> <plate>
PLATE 021

> <well>
C9

> <supplier_cmpd_name>
Arteether

> <ctcr_id>
11234

> <supplier_cmpd_id>
T3327

> <smiles>
O1[C@@H]([C@@H]([C@@H]2CC[C@H]([C@H]3[C@@]42[C@H]1O[C@](OO4)(CC3)C)C)C)OCC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Arteether,Artemotil,75887-54-6,75887546,Beta-Arteether,BetaArteether,SM-227,SM227,"beta-Dihydroartemisinin ethyl ether","betaDihydroartemisinin ethyl ether",Artecef,"E MAL",CHEMBL301267,GTPL9958,SCHE
MBL17156474,CHEBI:135335,BCP28298,C17H28O5,HY-B0770,HYB0770,ZINC8214360,BDBM50426305,MFCD00869355,s3889,CCG-267602,CCG267602,CS-55,CS55,T3327}

> <pdid>
PD000642

> <targets>
{CCL4,CCL5,CXCL10,CXCL9,Parasite}

> <classes>
{Autophagy,Immunology/Inflammation,GPCR/G Protein,Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{3000469}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  1  0            999 V2000
    8.9445    3.7607    0.0000 Na  0  3
    0.1194   -2.3933    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    2.2393   -0.8534    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0  2  0  0  0
   -0.8796    2.4866    0.0000 C   0  0  2  0  0  0
   -0.6422    3.9624    0.0000 N   0  0
    0.7599    4.4978    0.0000 C   0  0
    1.9236    3.5514    0.0000 O   0  0
    0.9982    5.9795    0.0000 C   0  0  2  0  0  0
    2.4003    6.5149    0.0000 N   0  0
    2.6386    7.9967    0.0000 C   0  0
    1.4749    8.9431    0.0000 O   0  0
    4.0407    8.5321    0.0000 N   0  0
    5.2752    7.7026    0.0000 C   0  0
    6.4445    8.6421    0.0000 C   0  0
    5.9123   10.0445    0.0000 N   0  0
    4.4140    9.9717    0.0000 C   0  0
    3.4676   11.1354    0.0000 O   0  0
   -0.1661    6.9264    0.0000 C   0  0
    0.0695    8.4079    0.0000 C   0  0
   -1.0956    9.3527    0.0000 C   0  0
   -2.4963    8.8161    0.0000 C   0  0
   -2.7320    7.3348    0.0000 C   0  0
   -1.5670    6.3899    0.0000 C   0  0
   -2.0931    1.6049    0.0000 C   0  0
   -3.5746    1.8395    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  5
   -3.1247   -2.0836    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 19 20  2  0
 11 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
  7 27  1  0
 27 28  2  0
 27 29  1  0
 29  6  1  0
 29 30  1  0
 30  3  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
M  CHG  2   1   1  32  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12580

> <plate>
PLATE 021

> <well>
C10

> <supplier_cmpd_name>
Azlocillin sodium

> <ctcr_id>
6023

> <supplier_cmpd_id>
T0049

> <smiles>
[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c4ccccc4)C(=O)N2C1C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AZLOCILLIN SODIUM","Azlocillin sodium salt",SPECTRUM1503101,HMS500A18,HMS1570F03,HMS1922E13,HMS2092J12,CCG-39300,CCG39300,1503101}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{23682222}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 13  0  0  0  0            999 V2000
   10.2999   -0.0085    0.0000 Na  0  3
    2.5971    4.5008    0.0000 N   0  0
    2.5986    3.0008    0.0000 C   0  0
    3.8985    2.2508    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 P   0  0
    7.7989    1.5002    0.0000 O   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7992    0.0004    0.0000 O   0  0
    3.8760   -0.7669    0.0000 P   0  0
    2.5777   -1.5181    0.0000 O   0  0
    2.5762   -0.0183    0.0000 O   0  5
    3.8773   -2.2669    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  2  0
  6 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  2  0
M  CHG  2   1   1  14  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12581

> <plate>
PLATE 021

> <well>
C11

> <supplier_cmpd_name>
Alendronate sodium hydrate

> <ctcr_id>
1078

> <supplier_cmpd_id>
T6373

> <smiles>
[Na+].NCCCC(O)([P](O)(O)=O)[P](O)([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW121,"ALENDRONATE SODIUM",129318-43-0,129318430,Fosamax,Binosto,Fosamac,Onclast,UNII-4988K7X26P,UNII4988K7X26P,"Sodium alendronate","MK 217","Alendronate sodium anhydrous","Alendronate, Sodium Sa
lt",MK-217,MK217,G-704650,G704650,"Onclast; Osteovan; Sodium alendronate",4988K7X26P,Alendr,T6373,Prestw-1210,"Alendronate sodium hydrate","Alendronate sodium"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16760285,58788844,62958}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.8896   -2.5354    0.0000 O   0  0
   -6.2433   -1.8893    0.0000 C   0  0
   -7.5587   -2.6066    0.0000 C   0  0
   -7.5962   -4.1069    0.0000 O   0  0
   -8.9138   -4.8255    0.0000 P   0  0
  -10.1939   -4.0436    0.0000 O   0  0
  -10.2311   -5.5430    0.0000 O   0  0
   -8.9513   -6.3250    0.0000 O   0  0
   -6.0471   -0.4022    0.0000 C   0  0
   -7.1349    0.6307    0.0000 O   0  0
   -4.5721   -0.1292    0.0000 C   0  0
   -3.9177    1.2205    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  2  1  0
 11  7  2  0
  8 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  2  0
 14 21  1  0
 21 22  1  0
 21 23  1  0
 23 12  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12582

> <plate>
PLATE 021

> <well>
D2

> <supplier_cmpd_name>
Fludarabine Phosphate

> <ctcr_id>
5380

> <supplier_cmpd_id>
T6501

> <smiles>
Nc1nc(F)nc2n(cnc12)C3OC(CO[P](O)(O)=O)C(O)C3O

> <pd_targets>
{CA5A,POLA1,POLA2,POLD1,POLD2,POLD3,POLD4,POLE,POLE2,POLE3,PRIM1,PRIM2,RRM1,RRM2,RRM2B}

> <pathway_gtopdb>
{Enzyme,Lyase,Transferase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases"}

> <pathway_reactome>
{Metabolism,"Reversible hydration of carbon dioxide"}

> <broad_targets>
{POLA1,POLD1,POLE,RRM1,RRM2,RRM2B}

> <broad_moa>
{"ribonucleotide reductase inhibitor"}

> <synonyms>
{fludara,FAMP,"9H-Purin-6-amine, 2-fluoro-9-(5-O-phosphono-.beta.-D-arabinofuranosyl)-","9HPurin6amine, 2fluoro9(5Ophosphono.beta.Darabinofuranosyl)","9H Purin 6 amine, 2 fluoro 9 (5 O phosphono .beta
. D arabinofuranosyl)",2-F-ara-AMP,2FaraAMP,2FaraAM,312887,"NSC 312887","Fludarabine phosphate"}

> <pdid>
PD000327

> <targets>
{}

> <classes>
{"Purine Antimetabolite"}

> <pubchem_cids>
{3368,118985277}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    6.4870   -5.2597    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -5.1984    1.4977    0.0000 O   0  0
   -6.4964    0.7459    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
    6.4963   -0.7535    0.0000 O   0  0
    6.4965    0.7465    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19  9  1  0
 16 20  1  0
 15 21  1  0
 21 22  1  0
 14 23  1  0
  4 24  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12583

> <plate>
PLATE 021

> <well>
D3

> <supplier_cmpd_name>
Eupatilin

> <ctcr_id>
11235

> <supplier_cmpd_id>
T3362

> <smiles>
COc1c(cc(cc1)c1cc(=O)c2c(c(c(cc2o1)O)OC)O)OC

> <pd_targets>
{OPRM1,OPRD1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Opioid receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Opioid receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","GPCR ligand binding","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","Opioid Signalling","Peptide ligand
-binding receptors","G-protein activation"}

> <broad_targets>
{}

> <broad_moa>
{"mucus protecting agent"}

> <synonyms>
{Eupatilin,22368-21-4,22368214,Euptailin,"5,7-Dihydroxy-3',4',6-trimethoxyflavone","5,7Dihydroxy3',4',6trimethoxyflavone",CHEBI:4932,UNII-4D58O05490,UNII4D58O05490,"2-(3,4-dimethoxyphenyl)-5,7-dihydro
xy-6-methoxychromen-4-one","2(3,4dimethoxyphenyl)5,7dihydroxy6methoxychromen4one",CHEMBL312750,4D58O05490,"NSC 122413",SCHEMBL1033509,"Eupatilin, >=98 (HPLC)",DTXSI,T3362}

> <pdid>
PD017172

> <targets>
{Autophagy,PPAR}

> <classes>
{Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5273755}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 58 59  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0  2  0  0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0  1  0  0  0
   -7.8029    2.9887    0.0000 O   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4007    1.4818    0.0000 C   0  0
  -11.6971    0.7273    0.0000 C   0  0
  -11.6919   -0.7727    0.0000 C   0  0
  -12.9883   -1.5272    0.0000 O   0  0
  -10.3903   -1.5182    0.0000 C   0  0
  -10.3820   -3.0190    0.0000 N   0  0
   -9.0786   -3.7630    0.0000 C   0  0
   -9.0703   -5.2630    0.0000 O   0  0
   -9.0939   -0.7637    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   20.6814   -3.0031    0.0000 C   0  0
   20.6835   -1.5031    0.0000 O   0  0
   19.3853   -0.7500    0.0000 C   0  0
   19.3853    0.7500    0.0000 C   0  0
   18.0862    1.5000    0.0000 C   0  0
   16.7872    0.7500    0.0000 C   0  0
   15.4859    1.4977    0.0000 C   0  0
   14.1872    0.7455    0.0000 C   0  0  2  0  0  0
   14.1898   -0.7545    0.0000 C   0  0
   12.8859    1.4932    0.0000 N   0  0
   11.5872    0.7409    0.0000 C   0  0
   10.2860    1.4887    0.0000 C   0  0  1  0  0  0
   10.2833    2.9887    0.0000 O   0  0
    8.9873    0.7364    0.0000 C   0  0
    7.6856    1.4818    0.0000 C   0  0
    6.3891    0.7273    0.0000 C   0  0
    6.3943   -0.7727    0.0000 C   0  0
    5.0979   -1.5272    0.0000 O   0  0
    7.6960   -1.5182    0.0000 C   0  0
    7.7042   -3.0190    0.0000 N   0  0
    9.0077   -3.7630    0.0000 C   0  0
    9.0159   -5.2630    0.0000 O   0  0
    8.9924   -0.7637    0.0000 C   0  0
   16.7872   -0.7500    0.0000 C   0  0
   18.0863   -1.5000    0.0000 C   0  0
   24.4835    0.7378    0.0000 O   0  0
   24.4835   -0.7622    0.0000 C   0  0
   23.1842   -1.5118    0.0000 O   0  0
   25.7835   -1.5122    0.0000 C   0  0
   27.0835   -0.7622    0.0000 C   0  0
   28.3835   -1.5122    0.0000 C   0  0
   28.3835   -3.0122    0.0000 O   0  0
   29.6827   -0.7626    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 19 23  2  0
 23 14  1  0
  6 24  1  0
 24 25  2  0
 25  3  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  6
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  6
 37 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  2  0
 44 48  2  0
 48 39  1  0
 31 49  1  0
 49 50  2  0
 50 28  1  0
 51 52  1  0
 52 53  2  0
 52 54  1  0
 54 55  2  0
 55 56  1  0
 56 57  1  0
 56 58  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12584

> <plate>
PLATE 021

> <well>
D4

> <supplier_cmpd_name>
Formoterol Hemifumarate

> <ctcr_id>
855

> <supplier_cmpd_id>
T6505

> <smiles>
COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1.COc3ccc(C[C@H](C)NC[C@@H](O)c4ccc(O)c(NC=O)c4)cc3.OC(=O)\C=C\C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{43229-80-7,43229807,"FORMOTEROL FUMARATE","Formoterol hemifumarate","(S,S)-formoterol fumarate","(S,S)formoterol fumarate","Formoterol (Fumarate)","YM 08316","BD 40A","Formoterol Fumarate,(S)",CHEMBL
4303430,CHEBI:63109,"ethyl)phenyl)formamide hemifumarate",HMS3267L,T6505,S2020,Prestw-1421,"Formoterol Hemifumarate","Formoterol fumarate"}

> <pdid>

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{9832292}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9027    5.2517    0.0000 C   0  0
   -5.2032    5.9990    0.0000 C   0  0
   -6.5007    5.2464    0.0000 C   0  0
   -7.8013    5.9937    0.0000 Cl  0  0
   -6.4977    3.7464    0.0000 N   0  0
   -5.1971    2.9990    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12585

> <plate>
PLATE 021

> <well>
D5

> <supplier_cmpd_name>
Sulfachloropyridazine

> <ctcr_id>
5450

> <supplier_cmpd_id>
T2184

> <smiles>
Nc1ccc(cc1)[S](=O)(=O)Nc2ccc(Cl)nn2

> <pd_targets>
{KDM4E,LMNA,NPSR1,RECD}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein","Membrane receptor",Eraser,"Family A G protein-coupled receptor","Lysine demethylase","Peptide receptor (family A GPCR)","Jumonji domain-containing","Sh
ort peptide receptor (family A GPCR)","Neuropeptide receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","G protein-coupled receptors","1.14.11.- Histone demethylases","Neuropeptide S receptor"}

> <pathway_reactome>
{"Cell Cycle",Disease,Mitotic,"Infectious disease","M Phase","Leishmania infection","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Mitotic Anaphase","Anti-inflammatory res
ponse favouring Leishmania parasite infection","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{Sulfachloropyridazine,sulfachlorpyridazine,80-32-0,80320,4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide,4aminoN(6chloropyridazin3yl)benzenesulfonamide,Sulphachlorpyridazine,Nefrosul,Sulfaclorop
iridazina,Durasulf,N1-(6-Chloro-3-pyridazinyl)sulfanilamide,N1(6Chloro3pyridazinyl)sulfanilamide,Sulfachlorpyridazinum,Sonily,T2184,1501142,Prestw-715,SULFACHLORPYRIDAZINE}

> <pdid>
PD001501

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{6634}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 49 51  0  0  1  0            999 V2000
    0.9284    2.6388    0.0000 C   0  0
    0.3778    1.2435    0.0000 O   0  0
    1.3120    0.0664    0.0000 C   0  0  1  0  0  0
    0.6266   -1.3227    0.0000 C   0  0  2  0  0  0
   -0.8733   -1.3102    0.0000 O   0  0
    1.2788   -2.7019    0.0000 C   0  0
    2.7500   -2.7990    0.0000 C   0  0
    3.5464   -1.5279    0.0000 O   0  0
    3.5029   -4.1227    0.0000 O   0  0
    4.8716   -3.6235    0.0000 C   0  0  2  0  0  0
    4.7822   -2.1262    0.0000 C   0  0
    6.3125   -3.9617    0.0000 C   0  0
    6.4644   -2.5142    0.0000 C   0  0
    7.6625   -1.6954    0.0000 C   0  0
    7.2546   -0.2810    0.0000 C   0  0
    8.0987    0.8979    0.0000 C   0  0
    7.2945    2.1476    0.0000 C   0  0  2  0  0  0
    7.8095    3.5564    0.0000 O   0  0
    5.8215    1.6949    0.0000 C   0  0  2  0  0  0
    5.5946    0.2122    0.0000 C   0  0
    4.5819    2.5465    0.0000 C   0  0
    3.1673    1.9311    0.0000 C   0  0  2  0  0  0
    2.0193    2.8997    0.0000 C   0  0
    2.2830    4.3772    0.0000 C   0  0
    1.1366    5.3445    0.0000 O   0  0
    2.8055    0.4292    0.0000 C   0  0  2  0  0  0
    2.9389   -1.0646    0.0000 O   0  0
    1.7116   -1.9284    0.0000 C   0  0  2  0  0  0
    0.2171   -1.7983    0.0000 O   0  0
   -0.6428   -3.0274    0.0000 C   0  0  2  0  0  0
   -2.1371   -2.8972    0.0000 C   0  0
   -0.0083   -4.3866    0.0000 C   0  0  1  0  0  0
   -0.8712   -5.6146    0.0000 O   0  0
   -2.3662   -5.4822    0.0000 C   0  0  1  0  0  0
   -3.2304   -6.7082    0.0000 C   0  0
   -4.7243   -6.5729    0.0000 C   0  0  1  0  0  0
   -6.2146   -6.4023    0.0000 C   0  0
   -4.0628   -7.9191    0.0000 O   0  0
   -5.3541   -5.2115    0.0000 C   0  0  1  0  0  0
   -6.8479   -5.0761    0.0000 O   0  0
   -4.4899   -3.9854    0.0000 C   0  0  2  0  0  0
   -5.1196   -2.6240    0.0000 C   0  0
   -2.9960   -4.1207    0.0000 O   0  0
    1.4860   -4.5168    0.0000 C   0  0  1  0  0  0
    2.3459   -3.2877    0.0000 C   0  0  1  0  0  0
    3.8403   -3.4179    0.0000 O   0  0
    2.1180   -5.8781    0.0000 N   0  0
    1.2564   -7.1059    0.0000 C   0  0
    3.6121   -6.0108    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  6
 19 21  1  0
 21 22  1  0
 22 23  1  1
 23 24  1  0
 24 25  2  0
 22 26  1  0
 26  3  1  0
 26 27  1  6
 28 27  1  1
 28 29  1  0
 29 30  1  0
 30 31  1  1
 30 32  1  0
 32 33  1  6
 34 33  1  1
 34 35  1  0
 35 36  1  0
 36 37  1  6
 36 38  1  0
 36 39  1  0
 39 40  1  1
 39 41  1  0
 41 42  1  6
 41 43  1  0
 43 34  1  0
 32 44  1  0
 44 45  1  0
 45 28  1  0
 45 46  1  6
 44 47  1  1
 47 48  1  0
 47 49  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12586

> <plate>
PLATE 021

> <well>
D6

> <supplier_cmpd_name>
Kitasamycin

> <ctcr_id>
11236

> <supplier_cmpd_id>
T3607

> <smiles>
CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Turimycin,"Leucomycin V",Leucomycin,1392-21-8,1392218,22875-15-6,22875156,39405-35-1,39405351,Selectomycin,Stereomycine,"Antibiotic A 6599",Syneptine,"Antibiotic JA-6599","Antibiotic JA6599",SCHEMBL5
035766,CHEBI:31753,ZINC87496415,AKOS015896458,"A 6599",C13103,Q6417876,T3607,Kitasamycin}

> <pdid>
PD065419

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{5282189}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 44 49  0  0  1  0            999 V2000
   -8.2964   -3.1881    0.0000 C   0  0
   -8.3049   -1.6881    0.0000 O   0  0
   -9.5921   -3.9455    0.0000 C   0  0
  -10.8963   -3.2030    0.0000 C   0  0
  -12.1920   -3.9604    0.0000 C   0  0
  -13.4967   -3.2201    0.0000 C   0  0
  -14.7901   -3.9797    0.0000 C   0  0
  -14.7790   -5.4797    0.0000 C   0  0
  -13.4744   -6.2200    0.0000 C   0  0
  -12.1810   -5.4604    0.0000 C   0  0
  -16.0724   -6.2393    0.0000 O   0  0
  -16.0939   -3.2363    0.0000 O   0  0
  -16.1029   -1.7363    0.0000 C   0  0
   -6.9921   -3.9307    0.0000 O   0  0
   -5.6963   -3.1734    0.0000 C   0  0  1  0  0  0
   -5.6963   -1.6754    0.0000 C   0  0
   -4.4151   -0.9264    0.0000 C   0  0
   -3.1340   -1.6754    0.0000 C   0  0  2  0  0  0
   -1.8528   -0.8870    0.0000 C   0  0  2  0  0  0
   -1.8331    0.5322    0.0000 C   0  0
   -0.5322    1.2812    0.0000 C   0  0
    0.7096    0.5322    0.0000 C   0  0  1  0  0  0
    0.7096   -0.9264    0.0000 C   0  0  2  0  0  0
   -0.5322   -1.6754    0.0000 C   0  0  2  0  0  0
   -0.5322   -3.1734    0.0000 C   0  0
   -1.8331   -3.9027    0.0000 C   0  0
   -3.1340   -3.1734    0.0000 C   0  0  1  0  0  0
   -4.4151   -3.9027    0.0000 C   0  0
   -3.0984   -4.6211    0.0000 C   0  0
   -5.7318   -4.6213    0.0000 C   0  0
    2.1287   -1.3994    0.0000 C   0  0
    3.0157    0.0000    0.0000 C   0  0
    2.1287    1.0052    0.0000 C   0  0  2  0  0  0
    2.5536    2.4440    0.0000 C   0  0  2  0  0  0
    1.5204    3.5314    0.0000 C   0  0
    4.0126    2.7957    0.0000 C   0  0
    4.4384    4.2348    0.0000 C   0  0
    5.8975    4.5865    0.0000 C   0  0
    6.3233    6.0257    0.0000 C   0  0
    7.7816    6.3772    0.0000 C   0  0
    5.2901    7.1131    0.0000 C   0  0
    0.8750   -2.4172    0.0000 C   0  0
    0.8750    2.0230    0.0000 C   0  0
   -3.1340    0.0394    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
  7 12  1  0
 12 13  1  0
  1 14  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
 18 17  1  6
 18 19  1  0
 19 20  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 24 25  1  6
 25 26  1  0
 27 26  1  1
 27 18  1  0
 27 28  1  0
 28 15  1  0
 28 29  1  0
 28 30  1  0
 23 31  1  0
 31 32  1  0
 33 32  1  1
 33 22  1  0
 33 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  3
 39 40  1  0
 39 41  1  0
 23 42  1  6
 22 43  1  1
 19 44  1  0
 44 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12587

> <plate>
PLATE 021

> <well>
D7

> <supplier_cmpd_name>
Gamma-Oryzanol

> <ctcr_id>
11237

> <supplier_cmpd_id>
T3606

> <smiles>
C(=O)(/C=C/c1cc(c(cc1)O)OC)O[C@H]1CC[C@]23[C@@]4(CC[C@]5([C@]([C@@H]4CC[C@H]2C1(C)C)(CC[C@@H]5[C@H](C)CCC=C(C)C)C)C)C3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AMMAORYZANO,gamma-Oryzanol,gammaOryzanol,"gamma Oryzanol","Cycloartenyl ferulate",Oliver,11042-64-1,11042641,HI-Z,HIZ,Gammariza,"Gamma oryzanol (JAN)",3-O-Ferulylcycloartenol,3OFerulylcycloartenol,UN
II-3PQR2YON9T,UNII3PQR2YON9T,"Cycloartenol ferulate",3PQR2YON9T,"Cycloartenol Trans-Ferulate","Cycloartenol TransFerulate","gamma Oryzanol (JAN)",T3606,Gamma-Oryzanol}

> <pdid>
PD014661

> <targets>
{"DNA methyltransferase (DNMT)"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{5282164}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 45  0  0  1  0            999 V2000
    1.1523   -5.2324    0.0000 C   0  0
   -0.3159   -5.5398    0.0000 C   0  0
   -1.0619   -4.2384    0.0000 C   0  0
   -2.5532   -4.0770    0.0000 O   0  0
   -0.0548   -3.1268    0.0000 N   0  0
    1.2947   -3.7520    0.0000 C   0  0  2  0  0  0
    2.5952   -3.0030    0.0000 C   0  0
    2.5963   -1.5030    0.0000 O   0  0
    3.8947   -3.7539    0.0000 N   0  0
    3.8936   -5.2546    0.0000 C   0  0
    5.1911   -6.0073    0.0000 C   0  0
    5.1880   -7.5073    0.0000 C   0  0
    3.8874   -8.2546    0.0000 C   0  0
    2.5899   -7.5020    0.0000 N   0  0
    2.5930   -6.0020    0.0000 C   0  0
    6.4855   -8.2600    0.0000 F   0  0
    5.1952   -3.0048    0.0000 C   0  0  1  0  0  0
    5.1963   -1.5041    0.0000 C   0  0
    3.8968   -0.7548    0.0000 C   0  0
    3.8958    0.7452    0.0000 C   0  0
    5.1943    1.4961    0.0000 C   0  0
    6.4939    0.7469    0.0000 C   0  0
    6.4948   -0.7531    0.0000 C   0  0
    7.7944   -1.5022    0.0000 Cl  0  0
    6.4947   -3.7557    0.0000 C   0  0
    6.4936   -5.2557    0.0000 O   0  0
    7.7952   -3.0067    0.0000 N   0  0
    9.0946   -3.7576    0.0000 C   0  0
   10.4998   -3.3470    0.0000 C   0  0
   10.8844   -4.7969    0.0000 C   0  0
    9.4346   -5.1815    0.0000 C   0  0
   12.1828   -4.0456    0.0000 F   0  0
   10.8759   -6.2968    0.0000 F   0  0
   -0.3535   -1.6561    0.0000 C   0  0
    0.6848   -0.5808    0.0000 N   0  0
    0.2704    0.8608    0.0000 C   0  0
   -1.1853    1.2227    0.0000 C   0  0
   -2.2266    0.1430    0.0000 C   0  0
   -1.8122   -1.2986    0.0000 C   0  0
   -3.6831    0.5052    0.0000 C   0  0
   -5.1387    0.8671    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  6
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 12 16  1  0
 17  9  1  1
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 17 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 28  1  0
 30 32  1  0
 30 33  1  0
  5 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
 38 40  1  0
 40 41  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12588

> <plate>
PLATE 021

> <well>
D8

> <supplier_cmpd_name>
Ivosidenib

> <ctcr_id>
11238

> <supplier_cmpd_id>
T3617

> <smiles>
C1CC(=O)N([C@@H]1C(=O)N(c1cc(cnc1)F)[C@@H](c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1nccc(c1)C#N

> <pd_targets>
{IDH1}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"1.1.1.42 Isocitrate dehydrogenases"}

> <pathway_reactome>
{Metabolism,"Metabolism of vitamins and cofactors","Metabolism of cofactors","NADPH regeneration"}

> <broad_targets>
{IDH1}

> <broad_moa>
{"isocitrate dehydrogenase inhibitor"}

> <synonyms>
{Ivosidenib,1448347-49-6,1448347496,AG120,AG-120,Tibsovo,UNII-Q2PCN8MAM6,UNIIQ2PCN8MAM6,Q2PCN8MAM6,"1448347-49-6 (Ivosidenib)","1448347496 (Ivosidenib)",RG120,ivosidenibum,1448346-63-1,1448346631,"Ivo
sidenib (INN)","Tibsovo (TN)","Ivosidenib (USAN)","Ivosidenib (WHO-DD)","Ivosidenib (WHODD)","Ivosidenib (USAN/INN)",T3617}

> <pdid>
PD046740

> <targets>
{IDH1,Isocitrate Dehydrogenase (IDH)}

> <classes>
{Metabolism,Metabolic Enzyme/Protease}

> <pubchem_cids>
{71657455}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 43  0  0  1  0            999 V2000
    9.2971    4.6579    0.0000 C   0  0
    8.0391    3.8409    0.0000 O   0  0
    8.1168    2.3421    0.0000 C   0  0
    9.4532    1.6608    0.0000 O   0  0
    6.8582    1.5246    0.0000 C   0  0
    6.9359    0.0258    0.0000 C   0  0  2  0  0  0
    5.5999    0.7078    0.0000 O   0  0
    8.2730   -0.6559    0.0000 C   0  0
    9.5324    0.1605    0.0000 C   0  0
   10.8695   -0.5212    0.0000 C   0  0
   12.1289    0.2951    0.0000 C   0  0
   13.3872    1.1116    0.0000 C   0  0
   12.0512    1.7931    0.0000 C   0  0
   13.4653   -0.3862    0.0000 O   0  0
    5.6765   -0.7905    0.0000 C   0  0
    5.7542   -2.2885    0.0000 O   0  0
    4.3394   -0.1088    0.0000 O   0  0
    3.0821   -0.9238    0.0000 C   0  0  1  0  0  0
    1.6852   -0.3846    0.0000 C   0  0  1  0  0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    3.5155    4.5031    0.0000 O   0  0
    2.8046    5.8240    0.0000 C   0  0
    1.3287    5.5562    0.0000 O   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
   -1.2172   -2.9891    0.0000 C   0  0
   -0.0039   -3.8711    0.0000 C   0  0
    1.2099   -2.9897    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0  2  0  0  0
    1.5613   -2.8152    0.0000 C   0  0
    3.0088   -2.4220    0.0000 C   0  0
    4.1745   -3.3632    0.0000 O   0  0
    3.9429   -4.8452    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  6 15  1  0
 15 16  2  0
 15 17  1  0
 18 17  1  6
 18 19  1  0
 19 20  1  6
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 22  2  0
 26 27  1  0
 27 28  2  0
 28 20  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 35 34  1  1
 35 19  1  0
 35 31  1  0
 35 36  1  0
 36 37  2  3
 37 18  1  0
 37 38  1  0
 38 39  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12589

> <plate>
PLATE 021

> <well>
D9

> <supplier_cmpd_name>
Homoharringtonine

> <ctcr_id>
4036

> <supplier_cmpd_id>
T3380

> <smiles>
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC

> <pd_targets>
{RPL3,HTT,RORC,LEF,CYP3A4}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor",Enzyme,"Nuclear receptor",Protease,"Cytochrome P450","Nuclear hormone receptor subfamily 1","Metallo protease","Cytochrome P450 family 3","Nuclear hormon
e receptor subfamily 1 group F","Metallo protease MAE clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M34 family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","1F. Retinoic acid-related orphans","CYP3 family"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","Signaling by ROBO receptors","Regulation of expression of SLITs and ROBOs","Gene expression (Transcription)",Disease,Metabolism,"
RNA Polymerase II Transcription","Infectious disease","Metabolism of lipids","Generic Transcription Pathway","Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediator
s (SPMs)","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Regulation of MECP2 expression and act
ivity","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{RPL3}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{homoharringtonine,"Omacetaxine mepesuccinate",Synribo,26833-87-4,26833874,Ceflatonin,Myelostat,CGX-635,CGX635,(-)-homoharringtonine,()homoharringtonine,Omapro,NSC-141633,NSC141633,UNII-6FG8041S5B,UNI
I6FG8041S5B,CHEBI:71019,C29H39NO9,"(2'R,3S,4S,5R)-(-)-homoharringtonine","(2'R,3S,4S,5R)()homoharringtonine",6FG8041S5B,NSC,T3380,758253,1416,SAM001246822,Homoharringtonine,CPD000469230}

> <pdid>
PD003333

> <targets>
{STAT3,STAT}

> <classes>
{Protein synthesis inhibitor,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{285033}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 79 78  0  0  1  0            999 V2000
    4.8896   -2.5354    0.0000 O   0  0
    3.8813   -1.4408    0.0000 C   0  0  2  0  0  0
    4.5721   -0.1292    0.0000 C   0  0  2  0  0  0
    3.9177    1.2205    0.0000 O   0  0
    6.0471   -0.4021    0.0000 C   0  0  2  0  0  0
    7.1349    0.6307    0.0000 O   0  0
    6.2433   -1.8892    0.0000 C   0  0  1  0  0  0
    7.5616   -2.6011    0.0000 C   0  0
    8.8393   -1.8151    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
   19.1354   -3.0628    0.0000 O   0  0
   19.1375   -1.5628    0.0000 C   0  0
   20.4379   -0.8150    0.0000 O   0  0
   17.8393   -0.8097    0.0000 C   0  0
   17.8393    0.6903    0.0000 C   0  0
   16.5403    1.4403    0.0000 C   0  0
   15.2412    0.6903    0.0000 C   0  0
   13.9399    1.4380    0.0000 N   0  0
   12.6413    0.6858    0.0000 C   0  0
   11.3407    1.4331    0.0000 O   0  0
   12.6439   -0.8142    0.0000 C   0  0
   15.2412   -0.8097    0.0000 C   0  0
   16.5403   -1.5597    0.0000 C   0  0
   22.9392   -1.9366    0.0000 C   0  0
   24.2385   -1.1870    0.0000 N   0  0
   24.2385    0.3130    0.0000 C   0  0
   25.5385   -1.9370    0.0000 C   0  0
   26.8385   -1.1870    0.0000 C   0  0
   26.8385    0.3130    0.0000 C   0  0
   28.1378   -1.9366    0.0000 O   0  0
   38.4339   -3.0628    0.0000 O   0  0
   38.4361   -1.5628    0.0000 C   0  0
   39.7364   -0.8150    0.0000 O   0  0
   37.1379   -0.8097    0.0000 C   0  0
   37.1379    0.6903    0.0000 C   0  0
   35.8388    1.4403    0.0000 C   0  0
   34.5398    0.6903    0.0000 C   0  0
   33.2385    1.4380    0.0000 N   0  0
   31.9398    0.6858    0.0000 C   0  0
   30.6392    1.4331    0.0000 O   0  0
   31.9424   -0.8142    0.0000 C   0  0
   34.5398   -0.8097    0.0000 C   0  0
   35.8388   -1.5597    0.0000 C   0  0
   42.2378   -1.9366    0.0000 C   0  0
   43.5371   -1.1870    0.0000 N   0  0
   43.5371    0.3130    0.0000 C   0  0
   44.8370   -1.9370    0.0000 C   0  0
   46.1370   -1.1870    0.0000 C   0  0
   46.1370    0.3130    0.0000 C   0  0
   47.4363   -1.9366    0.0000 O   0  0
   57.7325   -3.0628    0.0000 O   0  0
   57.7346   -1.5628    0.0000 C   0  0
   59.0349   -0.8150    0.0000 O   0  0
   56.4364   -0.8097    0.0000 C   0  0
   56.4364    0.6903    0.0000 C   0  0
   55.1373    1.4403    0.0000 C   0  0
   53.8383    0.6903    0.0000 C   0  0
   52.5370    1.4380    0.0000 N   0  0
   51.2383    0.6858    0.0000 C   0  0
   49.9377    1.4331    0.0000 O   0  0
   51.2409   -0.8142    0.0000 C   0  0
   53.8383   -0.8097    0.0000 C   0  0
   55.1374   -1.5597    0.0000 C   0  0
   61.5363   -1.9366    0.0000 C   0  0
   62.8356   -1.1870    0.0000 N   0  0
   62.8356    0.3130    0.0000 C   0  0
   64.1356   -1.9370    0.0000 C   0  0
   65.4356   -1.1870    0.0000 C   0  0
   65.4356    0.3130    0.0000 C   0  0
   66.7348   -1.9366    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  6
  5  7  1  0
  7  1  1  0
  7  8  1  1
  8  9  1  0
  2 10  1  1
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 11  2  0
 17 18  1  0
 18 19  2  0
 19 10  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 26 31  1  0
 31 32  2  0
 32 23  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 40 41  2  0
 41 42  1  0
 41 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  1  0
 48 49  2  0
 48 50  1  0
 46 51  1  0
 51 52  2  0
 52 43  1  0
 53 54  1  0
 54 55  1  0
 54 56  1  0
 56 57  1  0
 57 58  1  0
 57 59  1  0
 60 61  2  0
 61 62  1  0
 61 63  1  0
 63 64  2  0
 64 65  1  0
 65 66  2  0
 66 67  1  0
 67 68  1  0
 68 69  2  0
 68 70  1  0
 66 71  1  0
 71 72  2  0
 72 63  1  0
 73 74  1  0
 74 75  1  0
 74 76  1  0
 76 77  1  0
 77 78  1  0
 77 79  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12590

> <plate>
PLATE 021

> <well>
D10

> <supplier_cmpd_name>
Isoprinosine

> <ctcr_id>
11239

> <supplier_cmpd_id>
T3614

> <smiles>
O1[C@H]([C@H](O)[C@H](O)[C@H]1CO)n1c2nc[nH]c(=O)c2nc1.O=C(O)c1ccc(NC(=O)C)cc1.CN(C)CC(C)O.O=C(O)c1ccc(NC(=O)C)cc1.CN(C)CC(C)O.O=C(O)c1ccc(NC(=O)C)cc1.CN(C)CC(C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"INOSINE PRANOBEX",Isoprinosine,Inosiplex,Delimmun,Methisoprinol,Imunovir,Isoviral,Aviral,Viruxan,36703-88-5,36703885,UNII-W1SO0V223F,UNIIW1SO0V223F,"NP 113",NPT-10381,NPT10381,W1SO0V223F,Isoprinosin
,Isoprinosina,Immunovir,"Inosine pranobex (BAN:JAN)","EINECS 253-162-1","EINECS 2531621",NTP,T3614}

> <pdid>

> <targets>
{IL-2}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{135449284}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 29  0  0  0  0            999 V2000
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0031    0.0000 O   0  0
    3.8976    0.7554    0.0000 O   0  5
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    1.2948   -3.7516    0.0000 C   0  0
    6.3990   -1.5015    0.0000 O   0  0
    7.6982   -0.7519    0.0000 C   0  0
    8.9975   -1.5015    0.0000 N   0  0
    7.6982    0.7481    0.0000 N   0  0
   19.1955   -0.3765    0.0000 Ca  0  2
   15.3945   -1.5031    0.0000 O   0  0
   14.0963   -0.7500    0.0000 C   0  0
   14.0963    0.7500    0.0000 C   0  0
   15.3945    1.5031    0.0000 C   0  0
   15.3924    3.0031    0.0000 O   0  0
   16.6949    0.7554    0.0000 O   0  5
   12.7973    1.5000    0.0000 C   0  0
   11.4982    0.7500    0.0000 C   0  0
   11.4982   -0.7500    0.0000 C   0  0
   12.7973   -1.5000    0.0000 C   0  0
   15.3924   -3.0039    0.0000 C   0  0
   16.6899   -3.7566    0.0000 O   0  0
   14.0920   -3.7516    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
  1 11  1  0
 11 12  2  0
 11 13  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 21 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 20  1  0
 19 29  1  0
 29 30  2  0
 29 31  1  0
M  CHG  3   6  -1  18   2  24  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12591

> <plate>
PLATE 021

> <well>
D11

> <supplier_cmpd_name>
Carbasalate Calcium

> <ctcr_id>
11240

> <supplier_cmpd_id>
T3608

> <smiles>
O(c1c(C(=O)[O-])cccc1)C(=O)C.O=C(N)N.[Ca+2].O(c1c(C(=O)[O-])cccc1)C(=O)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Carbasalate calcium",5749-67-7,5749677,"CARBASPIRIN CALCIUM",UNII-N667F17JP1,UNIIN667F17JP1,"Carbaspirin calcium (USAN)","Benzoic acid, 2-(acetyloxy)-, calcium salt, compd. with urea (1:1)","Benzoic
 acid, 2(acetyloxy), calcium salt, compd. with urea (1:1)",N667F17JP1,Alcacyl,"Carbasalate calcium (INN)",Calpirinsan,Rheomin,T3608,Carbasalate Calcium}

> <pdid>

> <targets>
{"Platelet aggregation"}

> <classes>
{Others}

> <pubchem_cids>
{21975}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 12  0  0  0  0            999 V2000
   15.2999    1.5088    0.0000 Li  0  3
   12.7999    1.5088    0.0000 Li  0  3
   10.2999    1.5088    0.0000 Li  0  3
    3.9000    2.2500    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.5986   -1.5008    0.0000 C   0  0
    3.8971   -2.2516    0.0000 O   0  5
    1.2993   -2.2504    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  5
    7.7992    0.0004    0.0000 O   0  0
    2.5761    1.5169    0.0000 C   0  0
    1.2762    0.7683    0.0000 O   0  5
    2.5773    3.0169    0.0000 O   0  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 14 16  2  0
M  CHG  6   1   1   2   1   3   1   8  -1  12  -1  15  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12592

> <plate>
PLATE 021

> <well>
E2

> <supplier_cmpd_name>
Gastrodenol

> <ctcr_id>
6617

> <supplier_cmpd_id>
T3605

> <smiles>
[Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Lithium citrate","Trilithium citrate",919-16-4,919164,"Citric acid trilithium salt","Lithium citrate anhydrous","CITRIC ACID, TRILITHIUM SALT","Lithium citrate tribasic tetrahydrate",1,2,"3-Propanet
ricarboxylic acid","3Propanetricarboxylic acid",2-hydroxy-,2hydroxy,"trilithium sal",T0256,T3605,1504269,Gastrodenol,"LITHIUM CITRATE"}

> <pdid>
PD009021

> <targets>
{}

> <classes>
{antidepressant}

> <pubchem_cids>
{13520,5129076}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  0  0            999 V2000
   -0.5529  -10.3163    0.0000 C   0  0
    0.0576   -8.9462    0.0000 N   0  0
    1.5502   -8.7888    0.0000 C   0  0
    2.1626   -7.4186    0.0000 N   0  0
    1.2830   -6.2026    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.0157   -3.6164    0.0000 S   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.0031    2.7742    0.0000 C   0  0
   -1.3040    3.5228    0.0000 N   0  0
   -1.3071    5.0228    0.0000 C   0  0
   -2.6017    2.7705    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
    2.4298  -10.0049    0.0000 C   0  0
    1.8174  -11.3750    0.0000 N   0  3
    0.3254  -11.5292    0.0000 O   0  5
    2.6966  -12.5904    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 11 16  2  0
 16 17  1  0
 17  9  2  0
  3 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2  19   1  20  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12593

> <plate>
PLATE 021

> <well>
E3

> <supplier_cmpd_name>
Ranitidin

> <ctcr_id>
5883

> <supplier_cmpd_id>
T3610

> <smiles>
CNC(/NCCSCc1oc(CN(C)C)cc1)=C\[N+]([O-])=O

> <pd_targets>
{CA2,CA1,HRH2,RAD52,BLM,MAPT,AMPC,NFKB1,TSHR,ATP4A,ATP4B,HIF1A,KMT2A,MEN1,LMNA,CHRM1,ACHE,HSD17B10,SLC47A1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Other cytosolic protein",Transporter,"Transcription factor","Epigenetic regulator",Lyase,"Family A G protein-coupled receptor",Hydrolase,"Primary a
ctive transporter",Reader,Oxidoreductase,"Electrochemical transporter","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","P-type ATPase",Bromodomain,"SLC superfamily of solu
te carriers","Monoamine receptor","Glycohormone receptor","Hydrogen potassium ATPase","SLC47 family of multidrug and toxin extrusion transporters","Histamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Carbonic anhydrases","G protein-coupled receptors","Acetylcholine turnover","SLC superfamily of solute carriers","Histamine receptors","Glycoprotein hormone receptors"
,"Acetylcholine receptors (muscarinic)","SLC47 family of multidrug and toxin extrusion transporters"}

> <pathway_reactome>
{"Transport of small molecules","Immune System",Disease,"DNA Repair","Neuronal System","Cellular responses to external stimuli","Cell Cycle","Signal Transduction",Metabolism,"O2/CO2 exchange in erythr
ocytes","Cytokine Signaling in Immune system","Infectious disease","DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Cellular responses to stress",Mitotic,"Signaling by GPCR","
Metabolism of lipids","Metabolism of amino acids and derivatives","SLC-mediated transmembrane transport","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins","Leishmani
a infection","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","M Phase","GPCR ligand binding","Phospholipid metabolism","Bran
ched-chain amino acid catabolism","Transport of bile salts and organic acids","metal ions and amine compounds","Interleukin-12 family signaling","Leishmania parasite growth and survival","HDR through 
Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Interleukin-1 family signaling","Oxygen-dependent proline hydroxylation of Hypo
xia-inducible Factor Alpha","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Glycerophospholipid biosynthesis","Interleukin-12 signaling","Anti-inflammatory response favouring 
Leishmania parasite infection","HDR through Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events","Interleukin-1 signaling","Mitotic Anapha
se","Amine ligand-binding receptors","Synthesis of PC","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","ADORA2B mediated anti-inflammatory cytokines production","H
omologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors
","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ranitidine,"66357-35-5 (free base)","66357355 (free base)",AH-19065,AH19065,C13H22N4O3S,NCGC00015876-07,NCGC0001587607,DSSTox_CID_25191,DSSToxCID25191,DSSTox-CID-25191,"DSSTox CID 25191",DSSTox_RID_8
0738,DSSToxRID80738,DSSTox-RID-80738,"DSSTox RID 80738",DSSTox_GSID_45191,DSSToxGSID45191,DSSTox-GSID-45191,"DSSTox GSID 45191","Ranitidine (USAN:BAN:INN)",RND,"Ranitidine (TN)",CAS-66357-35-5,CAS6635
7355,"Ranitidine (USAN/INN)",Gavilast,SR-01000075288,SR01000075288,Ranit,T3610,1501151,Ranitidin,RANITIDINE}

> <pdid>
PD009680

> <targets>
{}

> <classes>
{"H2 antihistamine"}

> <pubchem_cids>
{3001055}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    4.1697    0.3850    0.0000 C   0  0
    3.1510   -0.7161    0.0000 N   0  0
    3.5956   -2.1486    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -3.1510   -0.7161    0.0000 C   0  0
   -3.5956   -2.1487    0.0000 O   0  0
   -4.1703    0.3855    0.0000 C   0  0
   -5.6339    0.0569    0.0000 C   0  0
   -6.6503    1.1600    0.0000 C   0  0
   -6.2033    2.5918    0.0000 C   0  0
   -7.2180    3.6976    0.0000 N   0  0
   -6.7687    5.1296    0.0000 C   0  0
   -5.3046    5.4558    0.0000 O   0  0
   -7.7835    6.2353    0.0000 C   0  0
   -9.2471    5.9067    0.0000 C   0  0
  -10.2635    7.0098    0.0000 C   0  0
   -9.8164    8.4416    0.0000 C   0  0
   -8.3529    8.7703    0.0000 C   0  0
   -7.3364    7.6672    0.0000 C   0  0
   -5.8729    7.9960    0.0000 C   0  0
   -4.7397    2.9205    0.0000 C   0  0
   -3.7233    1.8175    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 14 25  1  0
 25 26  2  0
 26 11  1  0
  8 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32  4  1  0
 32 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12594

> <plate>
PLATE 021

> <well>
E4

> <supplier_cmpd_name>
Mozavaptan

> <ctcr_id>
5090

> <supplier_cmpd_id>
T6288

> <smiles>
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c4ccccc14

> <pd_targets>
{OXTR,AVPR1A,AVPR2,AVPR1B}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Vasopressin and oxytocin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Vasopressin and oxytocin receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by GPCR","Infectious disease","GPCR ligand binding","Leishmania infection","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","P
eptide ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Vasopressin-like receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{AVPR1A,AVPR1B,AVPR2}

> <broad_moa>
{"vasopressin receptor antagonist"}

> <synonyms>
{Mozavaptan,137975-06-5,137975065,Opc-31260,Opc31260,"Opc 31260","Mozavaptan free base",CHEMBL420762,OPC31260,"137975-06-5 (free base)","137975065 (free base)","Mozavaptan (INN)",C27H29N3O2,DSSTox_CID
_31430,DSSToxCID31430,DSSTox-CID-31430,"DSSTox CID 31430",DSSTox_RID_97316,DSSToxRID97316,DSSTox-RID-97316,"DSSTox RID 97316",DSSTox_GSID_57641,DSSToxGSID57641,DSSTox-GSID-57641,"DSSTox GSID 57641",cc
-155,cc155,GTPL2197,SCHEMBL1649322,DTXSID8057641,BDBM35,T6288,S2920}

> <pdid>
PD046836

> <targets>
{Others,"Vasopressin Receptor"}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{119369}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 43  0  0  0  0            999 V2000
   -3.9323   -9.7235    0.0000 C   0  0
   -2.6374  -10.4807    0.0000 O   0  0
   -1.3331   -9.7383    0.0000 C   0  0
   -1.3269   -8.2383    0.0000 C   0  0
   -0.0248   -7.4935    0.0000 C   0  0
   -0.0156   -5.9927    0.0000 N   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 F   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1781   -0.0305    0.0000 C   0  0
   -3.8619    2.2496    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.6011   -3.0008    0.0000 C   0  0
   -3.9020   -3.7494    0.0000 O   0  0
   -3.9050   -5.2502    0.0000 P   0  0
   -2.6073   -6.0025    0.0000 O   0  0
   -3.9074   -6.7502    0.0000 O   0  0
   -5.2051   -5.9984    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2935   -3.7495    0.0000 N   0  0
    1.2712   -8.2490    0.0000 C   0  0
    1.2650   -9.7490    0.0000 C   0  0
    2.5632  -10.5020    0.0000 O   0  0
    3.8643   -9.7555    0.0000 C   0  0
   -0.0371  -10.4936    0.0000 C   0  0
   -0.0464  -11.9944    0.0000 O   0  0
   -1.3495  -12.7372    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  2  0
 24 31  1  0
 31 17  1  0
 31 32  2  0
 32 14  1  0
 12 33  2  0
 33  7  1  0
  5 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 35 38  2  0
 38  3  1  0
 38 39  1  0
 39 40  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12595

> <plate>
PLATE 021

> <well>
E5

> <supplier_cmpd_name>
Fostamatinib

> <ctcr_id>
848

> <supplier_cmpd_id>
T6115

> <smiles>
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(CO[P](O)(O)=O)c4n3)n2)cc(OC)c1OC

> <pd_targets>
{SYK,KDR,ADORA3,VMAT2,FAAH,SLC29A1,UGT1A1,PDE5A,ALOX5,CTSS,CTSL,ABL1,CDPK1,PKNB,RPS6KA6,TYK2,COQ8A,JAK1,MET,NIM1K,STK26,PRKACA,STK24,STK3,TEC,STK33,STK35,STK36,STK38,STK38L,STK39,TAOK1,TAOK2,TAOK3,TBK
1,TEK,TESK1,TGFBR1,TGFBR2,TIE1,TLK1,TLK2,TNIK,TNK1,TNK2,TNNI3K,TSSK1B,TTK,TXK,TYRO3,ULK1,ULK2,ULK3,WEE1,YES1,MAP3K19,MAP3K20,ZAP70,AAK1,ABL2,ACVR1,ACVR1B,COQ8B,ALK,ANKK1,AURKA,AURKB,AURKC,AXL,BLK,BMP2
K,BMPR1B,BMPR2,BMX,BRAF,BTK,CAMK1,CAMK1D,CAMK1G,CAMK2A,CAMK2B,CAMK2D,CAMK2G,CAMKK1,CAMKK2,CASK,CSN3,CDK1,CDC42BPG,CDK4,CDKL1,CDKL2,CHEK1,CHEK2,CIT,CLK1,CLK2,CLK3,CLK4,CSF1R,CSK,CSNK1A1,CSNK2A1,CSNK2A2
,DAPK1,DAPK2,DAPK3,DCLK1,DCLK2,DCLK3,DDR1,DDR2,DYRK1A,DYRK1B,EGFR,EIF2AK1,EIF2AK2,EIF2AK4,EPHA1,EPHA2,EPHA3,EPHA4,EPHA5,EPHA6,EPHA7,EPHA8,EPHB1,EPHB2,EPHB4,EPHB6,ERBB2,ERBB4,ERN1,FER,FES,FGFR1,FGFR2,F
GFR3,FGR,FLT1,FLT3,FLT4,MTOR,FRK,FYN,GAK,GSK3A,GSK3B,HCK,HIPK2,HIPK3,CILK1,IKBKB,IKBKE,INSR,INSRR,IRAK1,IRAK3,IRAK4,ITK,JAK2,JAK3,SIK3,KIT,LATS1,LCK,LIMK1,LIMK2,LRRK2,LTK,LYN,MAP2K2,MAP2K3,MAP2K5,MAP2
K6,MAP3K1,MAP3K10,MAP3K11,MAP3K12,MAP3K13,MAP3K15,MAP3K2,MAP3K3,MAP3K4,MAP3K6,MAP3K9,MAP4K1,MAP4K2,MAP4K3,MAP4K4,MAP4K5,MAPK10,MAPK13,MAPK14,MAPK15,MAPK4,MAPK7,MAPK9,MAPKAPK5,MARK1,MARK2,MARK3,MARK4,C
LASP1,MAST1,MATK,MELK,MERTK,MINK1,MKNK1,MKNK2,MST1R,MUSK,MYLK,MYLK2,MYLK3,MYLK4,MYO3A,NEK1,NEK11,NEK2,NEK3,NEK4,NEK5,NEK9,NTRK1,NTRK2,NTRK3,NUAK1,NUAK2,OXSR1,PAK1,PAK2,PAK3,PAK4,PAK6,PAK5,CDK16,CDK17,
PDGFRA,PDGFRB,PDPK1,CDK15,PHKG1,PI4KB,PIK3C2B,PIK3C2G,PIK3CD,PIK3CG,PIM1,PIM3,PIP4K2B,PIP4K2C,PKMYT1,PKN1,PKN2,PLK1,PLK2,PLK3,PLK4,PRKAA1,PRKAA2,PRKAB1,PRKAB2,PRKAG1,PRKAG2,PRKAG3,PRKACB,PRKCD,PRKCE,P
RKCG,PRKCI,PRKCQ,PRKD1,PRKG2,PRPF4B,PTK2,PTK2B,PTK6,RAF1,RET,RIOK1,RIOK2,RIOK3,RIPK1,RIPK2,RIPK4,ROCK2,ROS1,RPS6KA1,RPS6KA3,SBK1,SBK3,SGK3,SIK1,SIK2,SLK,SNRK,SRC,SRMS,STK10,STK16,STK17A,STK17B,STK32A}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Transporter,"Secreted protein","Unclassified protein",Kinase,"Family A G protein-coupled receptor",Hydrolase,"Electrochemical transporter",Transferase,Phosphodiesterase,Oxi
doreductase,Protease,"Protein Kinase","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Phosphodiesterase 5","Cysteine protease","TK protein kinase group","Nucleotide-lik
e receptor (family A GPCR)","SLC28 and SLC29 families of nucleoside transporters","Phosphodiesterase 5A","Cysteine protease CA clan","AGC protein kinase group","Atypical protein kinase group","CAMK pr
otein kinase group","STE protein kinase group","Other protein kinase group","TKL protein kinase group","CMGC protein kinase group","CK1 protein kinase group","Tyrosine protein kinase Syk family","Tyro
sine protein kinase VEGFR family","Adenosine receptor","SLC29 Facilitative nucleoside transporter family","Cysteine protease C1A family","Tyrosine protein kinase Abl family","AGC protein kinase RSK fa
mily","Tyrosine protein kinase JakA family","Tyrosine protein kinase Met family","CAMK protein kinase CAMK1 family","STE protein kinase STE20 family","AGC protein kinase PKA family","Tyrosine protein 
kinase Tec family","CAMK protein kinase unique family","Other protein kinase NKF4 family","Other protein kinase ULK family","AGC protein kinase NDR family","Other protein kinase IKK family","Tyrosine 
protein kinase Tie family","TKL protein kinase LISK family","TKL protein kinase STKR family","Other protein kinase TLK family","Tyrosine protein kinase Ack family","TKL protein kinase MLK family","CAM
K protein kinase TSSK family","Other protein kinase TTK family","Tyrosine protein kinase Axl family","Other protein kinase WEE family","Tyrosine protein kinase Src family","STE protein kinase STE11 fa
mily","Other protein kinase NAK family","Atypical protein kinase ABC1 family","TKL protein kinase RIPK family","Other protein kinase AUR family","TKL protein kinase RAF family","CAMK protein kinase CA
MK2 family","Other protein kinase CAMKK family","CMGC protein kinase CDK family","AGC protein kinase DMPK family","CMGC protein kinase CDKL family","CAMK protein kinase RAD53 family","CMGC protein kin
ase CLK family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Csk family","CK1 protein kinase CK1 family","Other protein kinase CK2 family","CAMK protein kinase DAPK family","CAMK pr
otein kinase DCAMK1 family","Tyrosine protein kinase DDR family","CMGC protein kinase DYRK family","Tyrosine protein kinase EGFR family","Other protein kinase PEK family","Tyrosine protein kinase Eph 
family","Tyrosine protein kinase Fer family","Tyrosine protein kinase FGFR family","Atypical protein kinase PIKK family","CMGC protein kinase GSK family","CMGC protein kinase RCK family","Tyrosine pro
tein kinase InsR family","TKL protein kinase IRAK family","TKL protein kinase LRRK family","Tyrosine protein kinase Alk family","STE protein kinase STE7 family","CMGC protein kinase MAPK family","CAMK
 protein kinase MAPKAPK family","AGC protein kinase MAST family","Tyrosine protein kinase Musk family","CAMK protein kinase MLCK family","Other protein kinase NEK family","Tyrosine protein kinase Trk 
family","AGC protein kinase PDK1 subfamily","CAMK protein kinase PHk family","CAMK protein kinase PIM family","AGC protein kinase PKN family","Other protein kinase PLK family","AGC protein kinase PKC 
family","CAMK protein kinase PKD family","AGC protein kinase PKG family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Ret family","Atypical protein kinase RIO family","Tyrosine protei
n kinase Sev family","Other protein kinase NKF1 family","AGC protein kinase SGK family","AGC protein kinase YANK family","AGC protein kinase RSK subfamily","CAMK protein kinase NIM1 subfamily","STE pr
otein kinase YSK subfamily","STE protein kinase MST subfamily","STE protein kinase FRAY subfamily","STE protein kinase TAO subfamily","TKL protein kinase TESK subfamily","TKL protein kinase STKR Type 
1 subfamily","TKL protein kinase STKR Type 2 subfamily","STE protein kinase MSN subfamily","TKL protein kinase HH498 subfamily","TKL protein kinase MLK subfamily","TKL protein kinase STKR1","Atypical 
protein kinase ABC1-A subfamily","Other protein kinase Meta subfamily","CMGC protein kinase CDC2 subfamily","AGC protein kinase GEK subfamily","CAMK protein kinase CHK1 subfamily","AGC protein kinase 
CRIK subfamily","CMGC protein kinase Dyrk1 subfamily","Other protein kinase HRI","Other protein kinase PKR","Other protein kinase GCN2 subfamily","Atypical protein kinase FRAP subfamily","Tyrosine pro
tein kinase SrcA","CMGC protein kinase HIPK subfamily","CMGC protein kinase MAK","CAMK protein kinase QIK subfamily","TKL protein kinase LIMK subfamily","TKL protein kinase LZK subfamily","STE protein
 kinase ASK","STE protein kinase MEKK2","STE protein kinase KHS subfamily","CMGC protein kinase JNK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase ERK3","CMGC protein kinase ERK5"
,"CAMK protein kinase MAPKAPK subfamily","CAMK protein kinase MARK subfamily","CAMK protein kinase MELK subfamily","CAMK protein kinase MNK subfamily","STE protein kinase NinaC subfamily","Other prote
in kinase Nek11","Other protein kinase Nek1","CAMK protein kinase NuaK subfamily","STE protein kinase PAKA subfamily","STE protein kinase PAKB subfamily","CMGC protein kinase TAIRE subfamily","CMGC pr
otein kinase PCTAIRE","CMGC protein kinase PFTAIRE","Other protein kinase PLK2","CAMK protein kinase AMPK subfamily","AGC protein kinase PKC delta subfamily","AGC protein kinase PKC eta subfamily","AG
C protein kinase PKC alpha subfamily","AGC protein kinase PKC iota subfamily","Atypical protein kinase RIO1 subfamily","Atypical protein kinase RIO2 subfamily","Atypical protein kinase RIO3 subfamily"
,"AGC protein kinase ROCK subfamily","STE protein kinase SLK subfamily","Tyrosine protein kinase Srm"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","G protein-coupled receptors","Endocannabinoid turnover","SLC superfamily of solute carriers","UDP glucuronosyltransferases (UGT)","Cyclic nucleot
ide turnover/signalling","Eicosanoid turnover","Peptidases and proteinases","Kinases (EC 2.7.x.x)","Receptor kinases","Adenosine receptors","<i>N</i>-Acylethanolamine turnover","SLC28 and SLC29 famili
es of nucleoside transporters",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)",Lipoxygenases,"CA: Cysteine (C) Peptidases","AGC: Containing PKA",PKG,"PKC families",Atypical,"CAMK: Calcium/calmodul
in-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","Lipid modifying kinases","TK:
 Tyrosine kinase","SLC29 family","C1: Papain","RSK family","ABC1 family","CAMK-like (CAMKL) family","STE20 family","Protein kinase A (PKA) family","CAMK-unique family","Other protein kinases","NDR fam
ily","TKL: Tyrosine kinase-like","Testis specific kinase (TSSK) family","CAMK1 family","CAMK2 family","CASK family","Cyclin-dependent kinase (CDK) family","DMPK family","Cyclin-dependent kinase-like (
CDKL) family","CLK family","Casein kinase 1 (CK1) family","Death-associated kinase (DAPK) family","DCAMKL family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Phosph
atidyl inositol 3' kinase-related kinases (PIKK) family","Glycogen synthase kinase (GSK) family","RCK family","STE7 family","STE11 family","Mitogen-activated protein kinases (MAP kinases)","MAPK-Activ
ated Protein Kinase (MAPKAPK) family","MAST family","Myosin Light Chain Kinase (MLCK) family","PDK1 family","Phosphorylase kinase (PHK) family","1-phosphatidylinositol 4-kinase family","Phosphatidylin
ositol-4-phosphate 3-kinase family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","PIM family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Protein kinase N (P
KN) family","Protein kinase C (PKC) family","Protein kinase D (PKD) family","Protein kinase G (PKG) family","RIO family","SGK family","YANK family","Non-receptor tyrosine kinases (nRTKs)","Receptor ty
rosine kinases (RTKs)","RSK subfamily","ABC1-B subfamily","NIM1 subfamily","YSK subfamily","MST subfamily","NKF4 family","Unc-51-like kinase (ULK) family","FRAY subfamily","TAO subfamily","IKK family"
,"LIM domain kinase (LISK) family","Receptor serine/threonine kinase (RSTK) family","Tousled-like kinase (TLK) family","MSN subfamily","Mixed Lineage Kinase (MLK) family","TTK family","WEE family","ST
E20 subfamily","NAK family","Receptor interacting protein kinase (RIPK) family","Aurora kinase (Aur) family","Numb-associated kinase (NAK) family","RAF family","CAMKK family","CDK1 subfamily","GEK sub
family","CDK4 subfamily","CHK1 subfamily","Other DMPK family kinases","Casein kinase 2 (CK2) family","Dyrk1 subfamily","PEK family","IRE family","FRAP subfamily","GSK subfamily","HIPK subfamily","Inte
rleukin-1 receptor-associated kinase (IRAK) family","QIK subfamily","Leucine-rich repeat kinase (LRRK) family","KHS subfamily","JNK subfamily","p38 subfamily","Erk7 subfamily","ERK subfamily","MAPKAPK
 subfamily","MARK subfamily","MELK subfamily","MKN subfamily","NinaC subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","NuaK subfamily","PAKA subfamily","PAKB subfamily","TAIRE 
subfamily","Polo-like kinase (PLK) family","AMPK subfamily","Delta subfamily","Eta subfamily","Alpha subfamily","Iota subfamily","PRP4 subfamily","RIO1 subfamily","RIO2 subfamily","RIO3 subfamily","Rh
o kinase","NKF1 family","SLK subfamily","SNRK subfamily","Syk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Abl family","Janus kinase (JakA) family","Type X RTKs: 
HGF (hepatocyte growth factor) receptor family","Tec family","Type XII RTKs: TIE family of angiopoietin receptors","TESK subfamily","Type I receptor serine/threonine kinases","Type II receptor serine/
threonine kinases","Ack family","HH498 subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Src family","MLK subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor f
amily","Meta subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Csk family","Type XVI RTKs: DDR (collagen receptor) family","Type I RTKs: ErbB (epidermal growth factor) receptor family
","Other PEK family kinases","GCN2 subfamily","Type XIII RTKs: Ephrin receptor family","Fer family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type II RTKs: Insulin receptor family
","LIMK subfamily","LZK subfamily","Type IX RTKs: MuSK","Type VII RTKs: Neurotrophin receptor/Trk family","Fak family","Type XIV RTKs: RET","Type XVII RTKs: ROS receptors"}

> <pathway_reactome>
{Disease,"Signal Transduction",Metabolism,"Transport of small molecules",Hemostasis,"Immune System","Neuronal System","Developmental Biology","Programmed Cell Death","Cell Cycle","Cell-Cell communicat
ion","Cellular responses to external stimuli",Autophagy,"Vesicle-mediated transport","Gene expression (Transcription)","DNA Repair","Extracellular matrix organization","Metabolism of proteins","Organe
lle biogenesis and maintenance","Metabolism of RNA","Circadian Clock","Infectious disease","Signaling by Receptor Tyrosine Kinases","Signaling by GPCR","Metabolism of lipids","SLC-mediated transmembra
ne transport","Diseases of metabolism","Platelet homeostasis","Adaptive Immune System","Transmission across Chemical Synapses","Cytokine Signaling in Immune system","Nervous system development",Apopto
sis,Mitotic,"Signaling by Hippo","Innate Immune System","MAPK family signaling cascades","Cell junction organization","Diseases of signal transduction by growth factor receptors and second messengers"
,"Cellular responses to stress",Macroautophagy,"Signaling by Hedgehog","Cell Cycle Checkpoints","Membrane Trafficking","Signaling by NODAL","RNA Polymerase II Transcription","Signaling by TGFB family 
members","Miscellaneous transport and binding events","DNA Double-Strand Break Repair","Signaling by Rho GTPases","Non-integrin membrane-ECM interactions","Unfolded Protein Response (UPR)","Intracellu
lar signaling by second messengers","Signaling by Non-Receptor Tyrosine Kinases","Cilium Assembly","Cell surface interactions at the vascular wall","ECM proteoglycans","Metabolism of carbohydrates","D
eath Receptor Signalling","rRNA processing","Ion channel transport","Leishmania infection","Signaling by VEGF","GPCR ligand binding","Fatty acid metabolism","Transport of vitamins",nucleosides,"and re
lated molecules","Metabolic disorders of biological oxidation enzymes","Nitric oxide stimulates guanylate cyclase","Biosynthesis of specialized proresolving mediators (SPMs)","Class I MHC mediated ant
igen processing & presentation","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Interferon Signaling","Axon guidance","Apoptotic execution phase","Mitotic G2-G
2/M phases","Signaling by Interleukins","M Phase","Toll-like Receptor Cascades","MAPK1/MAPK3 signaling","Cell-extracellular matrix interactions","Signaling by TGF-beta Receptor Complex in Cancer","Cel
lular Senescence","Fc epsilon receptor (FCERI) signaling","Selective autophagy","Hedgehog 'on' state","G2/M Checkpoints","TCR signaling","Clathrin-mediated endocytosis","Regulation of signaling by NOD
AL","Generic Transcription Pathway","Signaling by BMP","Phospholipid metabolism","Signaling by NTRKs","Regulation of mitotic cell cycle","Mitotic G1 phase and G1/S transition","Homology Directed Repai
r","RHO GTPase Effectors","Oncogenic MAPK signaling","Signaling by WNT in cancer","Caspase activation via extrinsic apoptotic signalling pathway","GPCR downstream signalling","Response of EIF2AK1 (HRI
) to heme deficiency","Influenza Infection","Response of EIF2AK4 (GCN2) to amino acid deficiency","IRE1alpha activates chaperones","Signaling by SCF-KIT","Signaling by FGFR in disease","Signaling by I
nsulin receptor","PIP3 activates AKT signaling","HIV Infection","trans-Golgi Network Vesicle Budding","Signaling by KIT in disease","Signaling by PTK6","MAPK6/MAPK4 signaling","Anchoring of the basal 
body to the plasma membrane","Signaling by ERBB2","Signaling by FGFR","Signaling by MST1","Signaling by PDGFR in disease","Glycogen metabolism","FLT3 signaling in disease","DAG and IP3 signaling","Fcg
amma receptor (FCGR) dependent phagocytosis","p75 NTR receptor-mediated signalling","Sphingolipid metabolism","rRNA processing in the nucleus and cytosol","Stimuli-sensing channels","Neutrophil degran
ulation","Leishmania parasite growth and survival","VEGFA-VEGFR2 Pathway","Class A/1 (Rhodopsin-like receptors)","Arachidonic acid metabolism","Transport of nucleosides and free purine and pyrimidine 
bases across the plasma membrane","Defective UGT1A1 causes hyperbilirubinemia","cGMP effects","Biosynthesis of DPA-derived SPMs","Antigen processing-Cross presentation","SARS-CoV-1 Infection","Parasit
e infection","Activation of NMDA receptors and postsynaptic events","Interferon alpha/beta signaling","Antiviral mechanism by IFN-stimulated genes","Semaphorin interactions","Apoptotic cleavage of cel
lular proteins","G2/M Transition",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Mitotic Metaphase and Anaphase","Toll Like Receptor 4 (TLR4) Cascade","RAF/MAP kinase cascade","Regulation of cyto
skeletal remodeling and cell spreading by IPP complex components","Loss of Function of SMAD2/3 in Cancer","Oxidative Stress Induced Senescence","FCERI mediated Ca+2 mobilization",Mitophagy,"G2/M DNA d
amage checkpoint","Generation of second messenger molecules","Cargo recognition for clathrin-mediated endocytosis","Signaling by ROBO receptors","Transcriptional Regulation by TP53","Transcriptional r
egulation by RUNX1","PI Metabolism","Signaling by NTRK1 (TRKA)","APC/C-mediated degradation of cell cycle proteins","G1 Phase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (S
SA)","RHO GTPases activate CIT","Transcriptional Regulation by VENTX","Signaling by RAS mutants","Signaling by AMER1 mutants","Caspase activation via Dependence Receptors in the absence of ligand","G0
 and Early G1","G alpha (q) signalling events","NS1 Mediated Effects on Host Pathways","EPH-Ephrin signaling","Signaling by FGFR1 in disease","Signaling by FGFR2 in disease","Signaling by FGFR3 in dis
ease","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","PTEN Regulation","Host Interactions of HIV factors","Golgi Associated Vesicle Biogenesis","Negative regulation of the P
I3K/AKT network","Toll Like Receptor 5 (TLR5) Cascade","Toll Like Receptor 2 (TLR2) Cascade","Interleukin-2 family signaling","Drug resistance of KIT mutants","PTK6 promotes HIF1A stabilization","Inte
rleukin-1 family signaling","Downregulation of ERBB2 signaling","Signaling by FGFR4","RHO GTPases activate PAKs","Mitotic Prophase","Signaling by NTRK3 (TRKC)","Drug resistance of PDGFR mutants","Glyc
ogen breakdown (glycogenolysis)","Signaling by FLT3 ITD and TKD mutants","RHO GTPases activate PKNs","CaM pathway","Role of phospholipids in phagocytosis","Glutamate binding","activation of AMPA recep
tors and synaptic plasticity","p75NTR signals via NF-kB","G alpha (i) signalling events","Sphingolipid de novo biosynthesis","RET signaling","Major pathway of rRNA processing in the nucleolus and cyto
sol","PTK6 Down-Regulation","Anti-inflammatory response favouring Leishmania parasite infection","VEGFR2 mediated cell proliferation","Nucleotide-like (purinergic) receptors","Biosynthesis of DPAn-3 S
PMs","Endosomal/Vacuolar pathway","Attachment and Entry","Leishmania phagocytosis","Post NMDA receptor activation events","Regulation of IFNA signaling","ISG15 antiviral mechanism","Sema4D in semaphor
in signaling","Centrosome maturation","Mitotic Anaphase","MyD88-independent TLR4 cascade","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Receptor Mediated Mitophagy","Chk1/Chk2(Cds1) mediated inac
tivation of Cyclin B:Cdk1 complex","Role of ABL in ROBO-SLIT signaling","Regulation of TP53 Activity","RUNX1 regulates transcription of genes involved in BCR signaling","Synthesis of PIPs at the plasm
a membrane","Signalling to ERKs","Assembly and cell surface presentation of NMDA receptors","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Cyclin D associated events i
n G1","HDR through Homologous Recombination (HRR)","Signaling downstream of RAS mutants","Truncations of AMER1 destabilize the destruction complex","Gastrin-CREB signalling pathway via PKC and MAPK","
Inhibition of PKR","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","CRMPs in Sema3A signaling","FGFR1 mutant receptor activation","FGFR2 mutant receptor activation","Signaling b
y FGFR3 point mutants in cancer","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated signalling","Regulation of PTEN stability and activity","The role of Nef in HIV-1 replication and 
disease pathogenesis","SARS-CoV-1 Genome Replication and Transcription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MyD88 cascade initiated on plasma membrane","Toll Like Receptor TLR6:TLR2 Casc
ade","Interleukin-15 signaling","Dasatinib-resistant KIT mutants","Signalling to ERK5","Interleukin-1 signaling","Negative regulation of FGFR4 signaling","Nuclear Envelope Breakdown","Activation of TR
KA receptors","Activated NTRK3 signals through PI3K","Ephrin signaling","Activation of RAC1","Imatinib-resistant PDGFR mutants","Synthesis of PIPs at the Golgi membrane","Interleukin receptor SHC sign
aling","STAT5 activation downstream of FLT3 ITD mutants","Cyclin A/B1/B2 associated events during G2/M transition","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KL
K2 and KLK3","Calmodulin induced events","Trafficking of AMPA receptors","p75NTR recruits signalling complexes","Visual phototransduction","RAS processing","Interleukin-2 signaling","Negative regulati
on of MAPK pathway","FCGR3A-mediated IL10 synthesis","Adenosine P1 receptors","Biosynthesis of DPAn-3-derived 13-series resolvins","FCGR3A-mediated phagocytosis","CREB1 phosphorylation through NMDA re
ceptor-mediated activation of RAS signaling","Sema4D mediated inhibition of cell attachment and migration","Loss of proteins required for interphase microtubule organization from the centrosome","Sepa
ration of Sister Chromatids","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of TP53 Activity through Phosphorylation","Prolonged ERK activation events","Activation of RAC1 downstream of NMDARs","A
ctivation of AMPK downstream of NMDARs","APC/C:Cdc20 mediated degradation of mitotic proteins","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","EGFR Transa
ctivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Long-term potentiation","Signaling by activated point mutants of FGFR1","Activated point mutants of FGFR2","FGFR3 mutant
 receptor activation","PI3K Cascade","Nef and signal transduction","Replication of the SARS-CoV-1 genome","MAP kinase activation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Nef-mediates 
down modulation of cell surface receptors by recruiting them to clathrin adapters","Regulation of TP53 Activity through Acetylation","Signalling to RAS","Spry regulation of FGF signaling","Activation 
of NIMA Kinases NEK9",NEK6,NEK7,"NGF-independant TRKA activation","CD163 mediating an anti-inflammatory response","PKA-mediated phosphorylation of CREB","Trafficking of GluR2-containing AMPA receptors
","The phototransduction cascade","Negative feedback regulation of MAPK pathway","RSK activation","Loss of Nlp from mitotic centrosomes","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","ARMS-me
diated activation","Ras activation upon Ca2+ influx through NMDA receptor","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Presynaptic phase 
of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Signaling by activated point mutants of FGFR3","IKK complex recruitment mediated by RIP1","activated TAK1 mediates p38 
MAPK activation","Nef Mediated CD4 Down-regulation","Frs2-mediated activation","PI5P Regulates TP53 Acetylation","MAPK targets/ Nuclear events mediated by MAP kinases","p38MAPK events","PKA activation
",Inactivation,"recovery and regulation of the phototransduction cascade","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Activation of the AP-1 family of transcription factors","ERK/MAPK targ
ets","APC-Cdc20 mediated degradation of Nek2A","CREB phosphorylation","ERKs are inactivated"}

> <broad_targets>
{SYK}

> <broad_moa>
{"SYK inhibitor"}

> <synonyms>
{Fostamatinib,901119-35-5,901119355,"Fostamatinib (R788)",R788,Tavalisse,UNII-SQ8A3S5101,UNIISQ8A3S5101,Fostamatinib(R788),"R-788 Free acid","R788 Free acid","R 788","R788 FREE ACID","R-935788 Free ac
id","R935788 Free acid",R-788,"R935788 FREE ACID",SQ8A3S5101,R7935788,Fostamatinib/R788,"R788 compound",Fostama,T6115,S2625}

> <pdid>
PD010914

> <targets>
{Syk,FLT3}

> <classes>
{Angiogenesis,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{11671467}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    6.9868   -0.4543    0.0000 O   0  0
    5.6877    0.2956    0.0000 C   0  0
    5.3046   -1.1546    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    4.2375    0.6788    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
   -1.2946   -3.7547    0.0000 C   0  0
   -2.5943   -3.0056    0.0000 C   0  0
   -3.8928   -3.7565    0.0000 C   0  0
   -3.8918   -5.2565    0.0000 C   0  0
   -5.1904   -6.0073    0.0000 I   0  0
   -2.5923   -6.0056    0.0000 C   0  0
   -1.2937   -5.2548    0.0000 C   0  0
    0.0058   -6.0039    0.0000 F   0  0
    5.6777    1.7931    0.0000 C   0  0  2  0  0  0
    4.3736    2.5343    0.0000 C   0  0
    4.3635    4.0343    0.0000 C   0  0
    5.6575    4.7930    0.0000 C   0  0
    6.9616    4.0518    0.0000 C   0  0
    6.9716    2.5518    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  2  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
 15  8  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 23 24  1  0
 25  2  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12596

> <plate>
PLATE 021

> <well>
E6

> <supplier_cmpd_name>
Cobimetinib

> <ctcr_id>
8366

> <supplier_cmpd_id>
T3623

> <smiles>
OC1(CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F)[C@@H]4CCCCN4

> <pd_targets>
{MAP2K2,MAP2K1,MAP2K7,BRAF}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","TKL protein kinase group","STE protein kinase STE7 family","TKL protein kinase RAF family"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases","STE7 family","TKL: Tyrosine kinase-like","RAF f
amily"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by NTRK1 (TRKA)","Toll Like Recepto
r 5 (TLR5) Cascade","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Prolonged ERK activation events","MAP kinase activation","Frs2-mediated activation","JNK (c-Jun kinases) phosphor
ylation and  activation mediated by activated human TAK1","ARMS-mediated activation"}

> <broad_targets>
{MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Cobimetinib,934660-93-2,934660932,GDC-0973,GDC0973,XL518,Cotellic,Xl-518,Xl518,"GDC 0973",RG7420,"RG 7420",UNII-ER29L26N1X,UNIIER29L26N1X,"XL 518","Cobimetinib (GDC-0973, RG7420)","Cobimetinib (GDC09
73, RG7420)",ER29L26N1X,C21H21F3IN3O2,CHEMBL2146883,EUI,"Cobimetinib Butyrate",934660-94-3,934660943,"Cobimetinib (USAN:INN)",T3623,768068}

> <pdid>
PD009336

> <targets>
{MEK1}

> <classes>
{}

> <pubchem_cids>
{16222096}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 O   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -3.8805    1.4409    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    0.0093   -6.0025    0.0000 C   0  0
    2.6078   -5.9988    0.0000 C   0  0
    2.6109   -7.4996    0.0000 C   0  0
    3.9117   -8.2481    0.0000 C   0  0
    5.2095   -7.4959    0.0000 O   0  0
    3.9148   -9.7490    0.0000 O   0  0
    5.2157  -10.4975    0.0000 C   0  0
    5.2188  -11.9983    0.0000 C   0  0
    6.5196  -12.7469    0.0000 N   0  0
    6.5249  -14.2469    0.0000 C   0  0
    7.8265  -14.9924    0.0000 C   0  0
    9.1229  -14.2379    0.0000 O   0  0
    9.1177  -12.7379    0.0000 C   0  0
    7.8161  -11.9924    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  6  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  3  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12597

> <plate>
PLATE 021

> <well>
E7

> <supplier_cmpd_name>
Mycophenolate Mofetil

> <ctcr_id>
1425

> <supplier_cmpd_id>
T6293

> <smiles>
COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCC(=O)OCCN3CCOCC3

> <pd_targets>
{ABCB11,ABCC4,IMPDH1,IMPDH2,PTS,ALDH1A1,LMNA,HPGD}

> <pathway_gtopdb>
{Transporter,Enzyme,"Other nuclear protein","Primary active transporter",Oxidoreductase,"ATP-binding cassette","ABCB subfamily","ABCC subfamily"}

> <pathway_chembl>
{Transporters,Enzymes,"ATP-binding cassette transporter family","1.-.-.- Oxidoreductases","Eicosanoid turnover","ABCB subfamily","ABCC subfamily","Prostaglandin synthases"}

> <pathway_reactome>
{Metabolism,Hemostasis,Disease,"Cell Cycle","Metabolism of lipids","Platelet activation","signaling and aggregation","Infectious disease","Metabolism of vitamins and cofactors","Biological oxidations"
,Mitotic,"Metabolism of steroids","Response to elevated platelet cytosolic Ca2+","SARS-CoV Infections","Metabolism of cofactors","Phase I - Functionalization of compounds","M Phase","Biosynthesis of s
pecialized proresolving mediators (SPMs)","Bile acid and bile salt metabolism","Platelet degranulation","Potential therapeutics for SARS","Tetrahydrobiopterin (BH4) synthesis",recycling,"salvage and r
egulation","Ethanol oxidation","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Synthesis of bile acids and bile salts","Mitotic Anaphase","Biosynthesis of D-series resolvins","Syn
thesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{IMPDH1,IMPDH2}

> <broad_moa>
{"dehydrogenase inhibitor","inositol monophosphatase inhibitor"}

> <synonyms>
{C23H31NO7,NCGC00159459-02,NCGC0015945902,ACMC-20msyz,ACMC20msyz,CHEMBL3210645,HMS3654P16,BCP12786,BCP27678,ANW-53823,ANW53823,AKOS030228217,"Mycophenolate Mofetil-d4 (deuterated)","Mycophenolate Mofe
tild4 (deuterated)",MCULE-4341497570,MCULE4341497570,AK-98658,AK98658,H944,DB-062658,DB062658,FT-0631127,FT0631127,FT-0652331,FT0652331,FT-0672560,FT0672560,Q27165305,CellCept;RS-61443;R,CellCept;RS61
443;R,T6293,T0245,S1501,"Mycophenolate Mofetil","Mycophenolate mofetil"}

> <pdid>
PD000743

> <targets>
{Dehydrogenase}

> <classes>
{Metabolism}

> <pubchem_cids>
{4271}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
   -8.9814   -2.9992    0.0000 C   0  0
   -7.5416   -3.4196    0.0000 O   0  0
   -7.1846   -4.8774    0.0000 C   0  0
   -8.2701   -5.9126    0.0000 C   0  0
   -7.9164   -7.3703    0.0000 C   0  0
   -9.0046   -8.4038    0.0000 N   0  0
   -8.6534   -9.8621    0.0000 C   0  0
  -10.4441   -7.9791    0.0000 C   0  0
  -11.5323   -9.0126    0.0000 C   0  0
  -12.9718   -8.5878    0.0000 N   0  0
  -14.0594   -9.6208    0.0000 C   0  0
  -13.3230   -7.1295    0.0000 C   0  0
   -6.4771   -7.7928    0.0000 C   0  0
   -6.1201   -9.2506    0.0000 N   0  0
   -4.6795   -9.6712    0.0000 C   0  0
   -3.5958   -8.6341    0.0000 O   0  0
   -4.3225  -11.1290    0.0000 C   0  0
   -2.8827  -11.5494    0.0000 C   0  0
   -5.3916   -6.7576    0.0000 C   0  0
   -5.7452   -5.2998    0.0000 C   0  0
   -4.6570   -4.2663    0.0000 N   0  0
   -3.2175   -4.6910    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 N   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8805   -1.4410    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  5 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 13 19  1  0
 19 20  2  0
 20  3  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 28  1  0
 37 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12598

> <plate>
PLATE 021

> <well>
E8

> <supplier_cmpd_name>
Osimertinib mesylate

> <ctcr_id>
8367

> <supplier_cmpd_id>
T3634

> <smiles>
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3cn(C)c4ccccc34

> <pd_targets>
{EGFR,INSR,KCNH2,GSC2,CTSC,ERBB2,ERBB3,ERBB4,REP,ALK,EML4}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel",Transferase,Protease,"Protein Kinase","Potassium channels","Cysteine protease","TK protein kinase group","Voltage-gated potassium channel","Cys
teine protease CA clan","TKL protein kinase group","Tyrosine protein kinase EGFR family","Tyrosine protein kinase InsR family","Cysteine protease C1A family","TKL protein kinase STKR family","TKL prot
ein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Other protein targets","Catalytic receptors","Voltage-gated ion channels","Peptidases and proteinases","Anti-infective targets","Receptor kinases","Potassium channel
s","CA: Cysteine (C) Peptidases","Viral protein targets","TK: Tyrosine kinase","Voltage-gated potassium channels","C1: Papain","Coronavirus (CoV) proteins","Receptor tyrosine kinases (RTKs)","Type I R
TKs: ErbB (epidermal growth factor) receptor family","Type II RTKs: Insulin receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Metabolism of proteins",Disease,"Signaling by GPCR","Intracellular signaling by second messengers","Cardiac conduction","Post-translational protein modific
ation","Infectious disease","GPCR downstream signalling","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation","Asparagine N-linked glycosylation","SARS-CoV Infections","G alpha (q) signalli
ng events","Negative regulation of the PI3K/AKT network","Transport to the Golgi and subsequent modification","SARS-CoV-2 Infection","Gastrin-CREB signalling pathway via PKC and MAPK",PI5P,"PP2A and I
ER3 Regulate PI3K/AKT Signaling","ER to Golgi Anterograde Transport","SARS-CoV-2 Genome Replication and Transcription","EGFR Transactivation by Gastrin","Cargo concentration in the ER","Replication of
 the SARS-CoV-2 genome"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{AZD-9291,AZD9291,1421373-65-0,1421373650,Mereletinib,"AZD 9291",Tagrisso,UNII-3C06JJ0Z2O,UNII3C06JJ0Z2O,"Osimertinib free base",3C06JJ0Z2O,"1421373-65-0 (free base)","1421373650 (free base)","Merelet
inib (INN)","Osimertinib (USAN)",osimertinibum,Tube720,"Osimertinib; AZD 9291",Osimertinib;,T3634,T2490,779217,"Osimertinib mesylate",Osimertinib}

> <pdid>
PD009249

> <targets>
{EGFR}

> <classes>
{JAK/STAT Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{71496458}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  1  0            999 V2000
    5.1020   -6.1216    0.0000 C   0  0
    3.8914   -5.2577    0.0000 N   0  0
    2.6749   -6.1134    0.0000 C   0  0
    3.1336   -7.5415    0.0000 C   0  0
    4.6336   -7.5466    0.0000 C   0  0
    3.8935   -3.7569    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    1.2956   -3.7547    0.0000 N   0  0
    1.2952   -5.2556    0.0000 C   0  0
    2.1612   -5.7555    0.0000 O   0  0
   -0.0043   -6.0064    0.0000 C   0  0
   -0.0047   -7.5072    0.0000 C   0  0
   -1.3042   -8.2581    0.0000 C   0  0
   -1.3047   -9.7589    0.0000 C   0  0
   -2.6042  -10.5098    0.0000 C   0  0
   -2.6046  -12.0106    0.0000 C   0  0
   -3.9034  -12.7610    0.0000 C   0  0
    2.5973   -1.5030    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  2  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
  7 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  2  0
 26 27  1  0
 27 28  2  0
 28 19  1  0
 18 29  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12599

> <plate>
PLATE 021

> <well>
E9

> <supplier_cmpd_name>
Eliglustat

> <ctcr_id>
11241

> <supplier_cmpd_id>
T3663

> <smiles>
C1N(CCC1)C[C@@H](NC(=O)CCCCCCC)[C@@H](c1cc2OCCOc2cc1)O

> <pd_targets>
{UGCG}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Ceramide turnover","Ceramide glucosyltransferase"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Sphingolipid metabolism","Glycosphingolipid metabolism"}

> <broad_targets>
{UGCG}

> <broad_moa>
{"glucosylceramidase inhibitor"}

> <synonyms>
{ELIGLUSTAT,491833-29-5,491833295,"Genz 99067",Genz-99067,Genz99067,GENZ-112638,GENZ112638,UNII-DR40J4WA67,UNIIDR40J4WA67,"Eliglustat free base",DR40J4WA67,CHEBI:82752,"491833-29-5 (free base)","49183
3295 (free base)",MFCD19443735,"Eliglustat (USAN:INN)","Eliglustat (USAN/INN)",Eliglustat(Genz-99067),Eliglustat(Genz99067),Eliglustat;,T4049,T3663,"Genz-123346 free base",Eliglustat}

> <pdid>
PD009396

> <targets>
{"glucosylceramide synthase"}

> <classes>
{Metabolism}

> <pubchem_cids>
{23652731}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 26  0  0  0  0            999 V2000
    7.6894    1.8724    0.0000 Cl  0  0
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3039    3.7494    0.0000 N   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6078    5.9988    0.0000 C   0  0
    2.6109    7.4996    0.0000 N   0  0
    3.9117    8.2482    0.0000 C   0  0
    3.9148    9.7482    0.0000 C   0  0
    1.3140    8.2550    0.0000 C   0  0
    1.3187    9.7549    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
  9 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 20  1  0
 25 26  2  0
 26  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12600

> <plate>
PLATE 021

> <well>
E10

> <supplier_cmpd_name>
Dibucaine hydrochloride

> <ctcr_id>
1757

> <supplier_cmpd_id>
T0364L

> <smiles>
Cl.CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1

> <pd_targets>
{CYP2D6,KDM4E,ABCB11,HPGD,SCN1A,SCN2A,SCN3A,LMNA,ALDH1A1,GAA,EIF4G1,CYP1A2,HTT,RORC,ALOX15,SCN10A,SCN5A,CALM1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transporter,"Ion channel","Other nuclear protein","Unclassified protein","Transcription factor","Cytochrome P450",Eraser,"Primary active transporter","Voltage-gated ion 
channel",Oxidoreductase,Hydrolase,"Nuclear receptor","Cytochrome P450 family 2","Lysine demethylase","ATP-binding cassette","Voltage-gated sodium channel","Cytochrome P450 family 1","Nuclear hormone r
eceptor subfamily 1","Cytochrome P450 family 2D","Jumonji domain-containing","ABCB subfamily","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 2D6","Cytochro
me P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Ion channels","Cytochrome P450","Chromatin modifying enzymes","ATP-binding cassette transporter family","Eicosanoid turnover","3.2.1.- Glycosidases","Nuclear hormone r
eceptors","Voltage-gated ion channels","CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","ABCB subfamily","Prostaglandin synthases","CYP1 family","1F. Retinoic acid-related orph
ans",Lipoxygenases,"Voltage-gated sodium channels"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Metabolism of proteins","Gene expression (Transcription)","Developmental Biology","Neuronal System","Biological oxidations","Metabolism of lipids",Mitotic,"Diseases o
f metabolism",Translation,"RNA Polymerase II Transcription","Nervous system development","Transmission across Chemical Synapses","Phase I - Functionalization of compounds","Metabolism of steroids","Bi
osynthesis of specialized proresolving mediators (SPMs)","M Phase","Diseases of carbohydrate metabolism","Eukaryotic Translation Initiation","Generic Transcription Pathway","Axon guidance","Neurotrans
mitter receptors and postsynaptic signal transmission","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Ana
phase","Ethanol oxidation","Glycogen storage diseases","Cap-dependent Translation Initiation","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived S
PMs","L1CAM interactions","Activation of NMDA receptors and postsynaptic events",Xenobiotics,"Synthesis of bile acids and bile salts","Biosynthesis of D-series resolvins","Mitotic Anaphase","Glycogen 
storage disease type II (GAA)","Activation of the mRNA upon binding of the cap-binding complex and eIFs","and subsequent binding to 43S","Regulation of MECP2 expression and activity","RUNX3 Regulates 
Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Interaction between L1 and Ankyrins","Post NMDA receptor activation events","CYP2E1 reactions","Synthesis of bile acids and bile salt
s via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Translation initiation complex formation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of DPAn-
3-derived protectins and resolvins","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Initiation of Nuclear Envelope (NE) Reformation","Ras activation upon Ca2+ influ
x through NMDA receptor"}

> <broad_targets>
{CALM1,SCN10A,SCN5A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{"Dibucaine hydrochloride",61-12-1,61121,"Dibucaine HCl","Cinchocaine hydrochloride","Dibucaine (hydrochloride)","Cinchocaine HCL","Cincaine chloride","Dibucaine (Cinchocaine) HCl",UNII-Z97702A5DG,UNI
IZ97702A5DG,MLS000028429,Z97702A5DG,2-butoxy-N-(2-,2butoxyN(2,T0364L,1500236,"DIBUCAINE HYDROCHLORIDE"}

> <pdid>
PD009977

> <targets>
{}

> <classes>
{"anesthetic (local)"}

> <pubchem_cids>
{657388,521951,6078}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 14  0  0  1  0            999 V2000
   14.1999    0.3750    0.0000 Na  0  3
    2.6000   -1.5000    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3011   -0.7502    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0  1  0  0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 N   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   10.3999   -1.5000    0.0000 O   0  5
   11.6992    0.7496    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
M  CHG  2   1   1  15  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12601

> <plate>
PLATE 021

> <well>
E11

> <supplier_cmpd_name>
D-Pantothenic acid sodium salt

> <ctcr_id>
263

> <supplier_cmpd_id>
T3602

> <smiles>
[Na+].CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"SODIUM PANTOTHENATE",867-81-2,867812,"Sodium D-pantothenate","Sodium Dpantothenate","D-Pantothenic acid sodium","DPantothenic acid sodium","Sodium (R)-3-(2,4-dihydroxy-3,3-dimethylbutanamido)propano
ate","Sodium (R)3(2,4dihydroxy3,3dimethylbutanamido)propanoate","D-Pantothenic Acid Sodium Salt","DPantothenic Acid Sodium Salt",UNII-OES0R93F0C,UNIIOES0R93F0C,"D-Pantothenic acid (sodium)","DPantothe
nic acid (sodium)",T3551,T3602,1505715,"Calcium pantothenate","D-Pantothenic acid sodium salt","PANTOTHENIC ACID(d) Na salt"}

> <pdid>

> <targets>
{}

> <classes>
{"vitamin B5"}

> <pubchem_cids>
{23679004}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 38  0  0  1  0            999 V2000
    4.5251   -7.2514    0.0000 P   0  0  1  0  0  0
    5.4122   -6.0418    0.0000 O   0  0
    3.9196   -5.8781    0.0000 O   0  0
    4.8054   -4.6666    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0  1  0  0  0
    2.7343   -2.9815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0  2  0  0  0
    3.9511   -0.8815    0.0000 C   0  0  2  0  0  0
    2.8177    0.1010    0.0000 F   0  0
    4.9531   -1.9978    0.0000 C   0  0  2  0  0  0
    6.4451   -1.8434    0.0000 O   0  0
    5.3823   -0.4323    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    3.6392   -8.4629    0.0000 O   0  0
    2.1469   -8.3023    0.0000 C   0  0
    1.2597   -9.5119    0.0000 C   0  0
   -0.2313   -9.3484    0.0000 C   0  0
   -0.8353   -7.9754    0.0000 C   0  0
    0.0518   -6.7658    0.0000 C   0  0
    1.5429   -6.9293    0.0000 C   0  0
    6.0168   -7.4163    0.0000 N   0  0
    6.6207   -8.7902    0.0000 C   0  0  2  0  0  0
    8.1125   -8.9551    0.0000 C   0  0
    9.0003   -7.7461    0.0000 O   0  0
    8.7164  -10.3291    0.0000 O   0  0
   10.2082  -10.4940    0.0000 C   0  0
   10.8118  -11.8672    0.0000 C   0  0
   11.0960   -9.2849    0.0000 C   0  0
    5.7329   -9.9993    0.0000 C   0  0
  1  2  2  0
  1  3  1  1
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10  5  1  0
 10 11  1  6
  8 12  1  0
  7 13  1  1
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 13  1  0
 19 20  2  0
  1 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
  1 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 29 36  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12602

> <plate>
PLATE 021

> <well>
F2

> <supplier_cmpd_name>
Sofosbuvir

> <ctcr_id>
11242

> <supplier_cmpd_id>
T6676

> <smiles>
[P@@](=O)(OC[C@H]1O[C@H]([C@](F)([C@@H]1O)C)n1ccc(=O)[nH]c1=O)(Oc1ccccc1)N[C@H](C(=O)OC(C)C)C

> <pd_targets>
{NS5B,CYP3A4,CYP2C9}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transferase,"Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 3A4","Cytoch
rome P450 2C9"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Disease,Metabolism,"Infectious disease","Metabolism of lipids","Biological oxidations","SARS-CoV Infections","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization o
f compounds","Potential therapeutics for SARS","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Biosynthesis of maresins",Xenobiotics,"Biosynthesis of maresin-like SP
Ms","CYP2E1 reactions"}

> <broad_targets>
{}

> <broad_moa>
{antiviral}

> <synonyms>
{SOFOSBUVIR,PSI-7977,PSI7977,SOVALDI,1190307-88-0,1190307880,GS-7977,GS7977,"PSI 7977",UNII-WJ6CA3ZU8B,UNIIWJ6CA3ZU8B,WJ6CA3ZU8B,CHEBI:85083,"Sofosbuvir (USAN:INN)",C22H29FN3O9P,Hepcinat,Hepcvir,Resof
,SoviHep,"HSDB 8226","Sovaldi (TN)","Sofosbuvir (PSI-7977, GS-7977)","Sofosbuvir (PSI7977, GS7977)",S,T6676,Sofosbuvir}

> <pdid>
PD010569

> <targets>
{HCV}

> <classes>
{Microbiology&Virology,Proteases/Proteasome,Anti-infection}

> <pubchem_cids>
{45375808}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 55 62  0  0  1  0            999 V2000
   -0.0620    2.1425    0.0000 N   0  0
   -1.3568    2.9014    0.0000 S   0  0
   -2.6605    2.1595    0.0000 O   0  0
   -1.3664    1.4014    0.0000 O   0  0
   -1.3480    4.4022    0.0000 C   0  0
   -0.5909    5.6052    0.0000 C   0  0
   -2.0908    5.6141    0.0000 C   0  0
   -0.0709    0.6417    0.0000 C   0  0
   -1.3746   -0.1002    0.0000 O   0  0
    1.2091   -0.1065    0.0000 C   0  0  2  0  0  0
    2.3338   -1.0695    0.0000 C   0  0  1  0  0  0
    0.8386   -1.4995    0.0000 C   0  0
    2.4634   -2.5317    0.0000 C   0  0
    3.8640   -3.0459    0.0000 C   0  0
    4.9892   -2.0184    0.0000 C   0  0
    6.4362   -2.3949    0.0000 C   0  0
    7.5710   -1.3794    0.0000 C   0  0
    7.4730    0.1480    0.0000 C   0  0
    6.2088    0.9831    0.0000 C   0  0
    6.3341    2.5089    0.0000 C   0  0  2  0  0  0
    7.6985    3.1343    0.0000 N   0  0
    8.9229    2.2664    0.0000 C   0  0
    8.7830    0.7729    0.0000 O   0  0
   10.2872    2.8918    0.0000 C   0  0
   11.5122    2.0261    0.0000 C   0  0
   12.8744    2.6540    0.0000 N   0  0
   13.0117    4.1477    0.0000 C   0  0
   11.7868    5.0135    0.0000 C   0  0
   10.4246    4.3856    0.0000 N   0  0
   14.3740    4.7756    0.0000 C   0  0
    5.1082    3.4029    0.0000 C   0  0
    5.2484    4.8963    0.0000 O   0  0
    3.7664    2.7664    0.0000 N   0  0
    2.4705    3.5524    0.0000 C   0  0  2  0  0  0
    1.4304    2.5054    0.0000 C   0  0
   -0.0403    2.8003    0.0000 O   0  0
    1.9843    1.1435    0.0000 N   0  0
    2.8276    5.0166    0.0000 C   0  0
    4.3223    5.1418    0.0000 C   0  0  1  0  0  0
    5.0960    6.4248    0.0000 O   0  0
    4.3714    7.7391    0.0000 C   0  0
    2.8716    7.7656    0.0000 N   0  0
    2.1446    9.0777    0.0000 C   0  0
    2.9175   10.3633    0.0000 C   0  0
    2.1905   11.6754    0.0000 C   0  0
    0.6908   11.7019    0.0000 C   0  0
   -0.0821   10.4163    0.0000 C   0  0
    0.6449    9.1042    0.0000 C   0  0
    4.4172   10.3368    0.0000 C   0  0
    5.1442    9.0247    0.0000 C   0  0
    6.6439    8.9982    0.0000 C   0  0
    7.4168   10.2838    0.0000 C   0  0
    6.6898   11.5959    0.0000 C   0  0
    5.1901   11.6224    0.0000 C   0  0
    4.9033    3.7589    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  5  1  0
  1  8  1  0
  8  9  2  0
 10  8  1  6
 10 11  1  0
 11 12  1  1
 12 10  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  1
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 30  1  0
 20 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 10  1  0
 34 38  1  6
 38 39  1  0
 39 40  1  1
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 44 49  1  0
 49 50  2  0
 50 41  1  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 49  1  0
 39 55  1  0
 55 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12603

> <plate>
PLATE 021

> <well>
F3

> <supplier_cmpd_name>
Paritaprevir

> <ctcr_id>
11243

> <supplier_cmpd_id>
T3226

> <smiles>
N(S(=O)(=O)C1CC1)C(=O)[C@]12[C@@H](C1)/C=C\CCCCC[C@H](NC(=O)c1cnc(cn1)C)C(=O)N1[C@H](C(=O)N2)C[C@@H](Oc2nc3c(cccc3)c3c2cccc3)C1

> <pd_targets>
{NS3,NS4A,NS3/4A}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease PA clan","Serine protease S29 family","Serine protease S29 regulatory subfamily"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"HCV inhibitor"}

> <synonyms>
{Paritaprevir,Veruprevir,ABT-450,ABT450,1216941-48-8,1216941488,UNII-OU2YM37K86,UNIIOU2YM37K86,OU2YM37K86,Paritaprevir(ABT-450),Paritaprevir(ABT450),"Veruprevir anhydrous","ABT 450","Veruprevir (INN)"
,"Paritaprevir (USAN:INN)",1221573-85-8,1221573858,"veruprevir (deprecated INN)",SCHEMBL3069964,CHEMB,T3226}

> <pdid>
PD007169

> <targets>
{"HCV NS3/4A"}

> <classes>
{Microbiology&Virology,Proteases/Proteasome}

> <pubchem_cids>
{45110509}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -7.7988    1.4819    0.0000 O   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 O   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1821   -3.0099    0.0000 N   0  3
   -6.4772   -3.7666    0.0000 O   0  5
   -3.8794   -3.7535    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 10  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
M  CHG  2  18   1  19  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12604

> <plate>
PLATE 021

> <well>
F4

> <supplier_cmpd_name>
Tolcapone

> <ctcr_id>
6409

> <supplier_cmpd_id>
T6708

> <smiles>
Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O

> <pd_targets>
{COMT,ABCB11,LSS,TTR,GPR35,ABCC4,KLF10,ABCC3}

> <pathway_gtopdb>
{Enzyme,Transporter,"Secreted protein","Membrane receptor","Unclassified protein",Transferase,"Primary active transporter",Isomerase,"Family A G protein-coupled receptor","ATP-binding cassette","Small
 molecule receptor (family A GPCR)","ABCB subfamily","Carboxylic acid receptor","ABCC subfamily","Kynurenic acid receptor"}

> <pathway_chembl>
{Enzymes,Transporters,"Other protein targets",Receptors,"Catecholamine turnover","ATP-binding cassette transporter family","Lanosterol biosynthesis pathway",Transthyretin,"G protein-coupled receptors"
,"ABCB subfamily","Orphan and other 7TM receptors","ABCC subfamily","Class A Orphans"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Signal Transduction",Hemostasis,"Transmission across Chemical Synapses","Metabolism of lipids","Signaling by GPCR","Platelet activation","signaling and aggregation","Neu
rotransmitter clearance","Metabolism of steroids","GPCR downstream signalling","GPCR ligand binding","Response to elevated platelet cytosolic Ca2+","Dopamine clearance from the synaptic cleft","Bile a
cid and bile salt metabolism","Regulation of cholesterol biosynthesis by SREBP (SREBF)","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","Platelet degranulation","Enzymatic degra
dation of dopamine by COMT","Synthesis of bile acids and bile salts","Activation of gene expression by SREBF (SREBP)","Visual phototransduction","Recycling of bile acids and salts","Synthesis of bile 
acids and bile salts via 7alpha-hydroxycholesterol","The canonical retinoid cycle in rods (twilight vision)"}

> <broad_targets>
{COMT}

> <broad_moa>
{"catechol O methyltransferase inhibitor"}

> <synonyms>
{Tolcapone,134308-13-7,134308137,Tasmar,"Ro 40-7592","Ro 407592","(3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone","(3,4Dihydroxy5nitrophenyl)(4methylphenyl)methanone","3,4-Dihydroxy-4'-methyl-
5-nitrobenzophenone","3,4Dihydroxy4'methyl5nitrobenzophenone","(3,4-dihydroxy-5-nitrophenyl)(p-tolyl)methanone","(3,4dihydroxy5nitrophenyl)(ptolyl)methanone",Ro-40-7592,Ro407592,(3,4-dihydroxy-5-nitro
phenyl)-(4-methy,4dihydroxy5nitrophenyl)(4methy,T6708,S4021}

> <pdid>
PD010101

> <targets>
{Transferase}

> <classes>
{Metabolism}

> <pubchem_cids>
{4659569}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1047    0.0031    0.0000 C   0  0
   -5.8533    1.3039    0.0000 C   0  0
   -7.3541    1.3070    0.0000 C   0  0
   -8.1041    2.6061    0.0000 C   0  0
   -9.6041    2.6061    0.0000 C   0  0
  -10.3542    1.3071    0.0000 C   0  0
  -11.8550    1.3102    0.0000 O   0  0
  -12.6031    2.6104    0.0000 C   0  0
   -9.6042    0.0080    0.0000 C   0  0
  -10.3520   -1.2932    0.0000 O   0  0
   -9.6002   -2.5912    0.0000 C   0  0
   -8.1042    0.0080    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1882   -2.6402    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 14  1  0
 11 24  1  0
 24 25  1  0
 24 26  1  0
 26  9  2  0
 26 27  1  0
 27  3  1  0
 27 28  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12605

> <plate>
PLATE 021

> <well>
F5

> <supplier_cmpd_name>
Istradefylline

> <ctcr_id>
5773

> <supplier_cmpd_id>
T6552

> <smiles>
CCN1C(=O)N(CC)c2nc(C=Cc3ccc(OC)c(OC)c3)n(C)c2C1=O

> <pd_targets>
{MAOB,ADORA1,ADORA2A,ADORA2B,CYP2C9,ADORA3}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Oxidoreductase,"Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Nucleotide-like receptor (famil
y A GPCR)","Cytochrome P450 family 2C","Adenosine receptor","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,Receptors,"Catecholamine turnover","G protein-coupled receptors","Cytochrome P450","Adenosine receptors","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Metabolism,"Signal Transduction",Disease,"Biological oxidations","Signaling by GPCR","Infectious disease","Phase I - Functionalization of compounds","GPCR ligand binding","Leishmania infection","Amin
e Oxidase reactions","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Biogenic amines are oxidatively deaminated to alde
hydes by MAOA and MAOB","Nucleotide-like (purinergic) receptors","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Adenosine P1 receptors","ADORA2B mediated anti-inflam
matory cytokines production","CYP2E1 reactions"}

> <broad_targets>
{ADORA1,ADORA2A,ADORA2B,ADORA3}

> <broad_moa>
{"adenosine receptor antagonist"}

> <synonyms>
{NCGC00253737-01,NCGC0025373701,CHEMBL3188058,HMS3656B10,FT-0686956,FT0686956,FT-0774885,FT0774885,"1,3-diethyl-8-(3,4-dimethoxystyryl)-7-methylxanthine","1,3diethyl8(3,4dimethoxystyryl)7methylxanthin
e","8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-diethyl-7-methylpurine-2,6-dione","8(2(3,4dimethoxyphenyl)ethenyl)1,3diethyl7methylpurine2,6dione",T6552,S2790,Istradefylline}

> <pdid>
PD003634

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{198792}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0  1  0  0  0
   -1.2149    3.8587    0.0000 O   0  0
   -0.7536    5.2860    0.0000 C   0  0  1  0  0  0
   -1.6387    6.4949    0.0000 C   0  0
   -3.1300    6.3336    0.0000 O   0  0
    0.7463    5.2884    0.0000 C   0  0  2  0  0  0
    1.6261    6.5033    0.0000 O   0  0
    1.2121    3.8625    0.0000 C   0  0  1  0  0  0
    2.6367    3.3928    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  7 10  1  0
 10 11  1  6
 10 12  1  0
 12  5  1  0
 12 13  1  1
  4 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17  2  1  0
 17 18  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12606

> <plate>
PLATE 021

> <well>
F6

> <supplier_cmpd_name>
Clevudine

> <ctcr_id>
7537

> <supplier_cmpd_id>
T6446

> <smiles>
CC1=CN([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)C(=O)NC1=O

> <pd_targets>
{P,TK1}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G1 phase and G1/S transition","G1/S Transition","G1/S-Specific Transcription"}

> <broad_targets>
{}

> <broad_moa>
{"DNA polymerase inhibitor"}

> <synonyms>
{D03537,2'-Fluoro-5-methyl-.beta.-L-arabinofuranosyluracil,2'Fluoro5methyl.beta.Larabinofuranosyluracil,Q1100864,Clevudine,163252-36-6,163252366,L-FMAU,LFMAU,Levovir,UNII-IN51MVP5F1,UNIIIN51MVP5F1,"Cl
evudine (Levovir)",IN51MVP5F1,1-(2-Deoxy-2-fluoro-beta-L-arabinofuranosyl)thymine,1(2Deoxy2fluorobetaLarabinofuranosyl)thymine,2'-Fluoro-5-methyl-beta-L-arabinofuranosylur,2'Fluoro5methylbetaLarabinof
uranosylur,S3001}

> <pdid>
PD012672

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{73115}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 39  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -9.0976    3.7432    0.0000 Cl  0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -3.8964   -0.7553    0.0000 C   0  0
   -5.1931   -1.5094    0.0000 C   0  0
   -5.1885   -3.0094    0.0000 C   0  0
   -3.8871   -3.7554    0.0000 C   0  0
   -2.5904   -3.0014    0.0000 C   0  0
   -2.5951   -1.5014    0.0000 N   0  0
   11.5868   -3.3835    0.0000 O   0  0
   11.5872   -1.8835    0.0000 S   0  0
   12.8867   -1.1343    0.0000 O   0  0
   12.8859   -2.6341    0.0000 O   0  0
   10.2875   -1.1331    0.0000 C   0  0
   10.2875    0.3669    0.0000 C   0  0
    8.9884    1.1169    0.0000 C   0  0
    7.6894    0.3669    0.0000 C   0  0
    7.6894   -1.1331    0.0000 C   0  0
    8.9884   -1.8831    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 14 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 28 29  1  0
 29 30  2  0
 29 31  2  0
 29 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12607

> <plate>
PLATE 021

> <well>
F7

> <supplier_cmpd_name>
Bepotastine Besilate

> <ctcr_id>
4888

> <supplier_cmpd_id>
T6405

> <smiles>
OC(=O)CCCN1CCC(CC1)OC(c2ccc(Cl)cc2)c3ccccn3.OS(=O)(=O)c4ccccc4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1415692-17-9,1415692179,BepotastineBesilate,HMS3651P14,BCP25978,CS-M3588,CSM3588,AK322015,LS-15188,LS15188,FT-0655883,FT0655883,FT-0701238,FT0701238,A813441,T6405,S3037,"Bepotastine Besilate"}

> <pdid>

> <targets>
{"Histamine Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{53394973}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  1  0            999 V2000
    8.9990   -3.3752    0.0000 Cl  0  0
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3039   -3.7494    0.0000 N   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6060   -6.0003    0.0000 C   0  0
    3.9051   -5.2503    0.0000 C   0  0
    2.6061   -7.5003    0.0000 C   0  0
    1.3071   -8.2503    0.0000 C   0  0
    0.0080   -7.5003    0.0000 C   0  0
    0.0080   -6.0003    0.0000 C   0  0
   -1.2911   -5.2504    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
 11 12  1  6
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12608

> <plate>
PLATE 021

> <well>
F8

> <supplier_cmpd_name>
Levobupivacaine HCl

> <ctcr_id>
11188

> <supplier_cmpd_id>
T6566

> <smiles>
Cl.CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C

> <pd_targets>
{KCNH2,IMPA1,CYP3A4,CYP2D6,CYP1A2,TSHR,SCN4A,SCN10A,KCND3,KCNA5,SCN1A,SCN2A,SCN3A,SCN5A,KCNK9,KCNK3,PTGER1}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Membrane receptor","Voltage-gated ion channel",Hydrolase,"Cytochrome P450","Family A G protein-coupled receptor","Potassium channels","Cytochrome P450 family 3","Cytochrome P450
 family 2","Cytochrome P450 family 1","Peptide receptor (family A GPCR)","Voltage-gated sodium channel","Voltage-gated potassium channel","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytoc
hrome P450 family 1A","Glycohormone receptor","Cytochrome P450 3A4","Cytochrome P450 2D6","Cytochrome P450 1A1","Small molecule receptor (family A GPCR)","Two-pore domain potassium channel","Lipid-lik
e ligand receptor (family A GPCR)","Prostanoid receptor"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Voltage-gated ion channels","Inositol phosphate turnover","Cytochrome P450","G protein-coupled receptors","Potassium channels","Inositol monophosphatase","CYP3 famil
y","CYP2 family: drug metabolising subset","CYP1 family","Glycoprotein hormone receptors","Voltage-gated sodium channels","Voltage-gated potassium channels","Prostanoid receptors","Two P domain potass
ium channels"}

> <pathway_reactome>
{"Muscle contraction",Metabolism,Disease,"Developmental Biology","Cardiac conduction","Inositol phosphate metabolism","Metabolism of lipids","Biological oxidations","Infectious disease","Nervous syste
m development","Phase 3 - rapid repolarisation","Synthesis of IP2",IP,"and Ins in the cytosol","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","L
eishmania infection","Axon guidance","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","L1CAM interactions","Biosynthesis of m
aresins",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Interaction between L1 and Ankyrins","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Aromatic amines 
can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Neuronal System","Signal Transduction","Potassium Channels","Signaling by GPCR","Phase 1 - 
inactivation of fast Na+ channels","Voltage gated Potassium channels","Tandem pore domain potassium channels","GPCR ligand binding","TWIK-releated acid-sensitive K+ channel (TASK)","Class A/1 (Rhodops
in-like receptors)","Eicosanoid ligand-binding receptors","Prostanoid ligand receptors"}

> <broad_targets>
{KCNA5,SCN10A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{EVOBUPIVACAIN,"Levobupivacaine HCl","Levobupivacaine hydrochloride",27262-48-2,27262482,Chirocaine,UNII-J998RDZ51I,UNIIJ998RDZ51I,"(S)-1-Butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochlo
ride","(S)1ButylN(2,6dimethylphenyl)piperidine2carboxamide hydrochloride","Levobupivacaine (hydrochloride)","(S)-(-)-Bupivacaine hydrochloride","(S)()Bupivacaine hydrochloride",(}

> <pdid>
PD009597

> <targets>
{"Sodium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{117965}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
   10.0003   -1.0989    0.0000 C   0  0
    8.7088   -1.8618    0.0000 C   0  0
    7.4166   -2.6251    0.0000 C   0  0
    7.4315   -4.1250    0.0000 C   0  0
    6.1400   -4.8880    0.0000 C   0  0
    4.8336   -4.1509    0.0000 C   0  0
    4.8185   -2.6510    0.0000 C   0  0
    3.5128   -1.9110    0.0000 N   0  0
    3.5000   -0.4100    0.0000 C   0  0
    4.7900    0.3300    0.0000 N   0  0
    4.7900    1.8300    0.0000 C   0  0
    3.5000    2.5700    0.0000 N   0  0
    2.1900    1.8300    0.0000 C   0  0
    0.8900    2.5700    0.0000 C   0  0
   -0.3800    1.8300    0.0000 C   0  0
   -1.8300    2.2000    0.0000 O   0  0
   -2.1500    3.7200    0.0000 C   0  0
   -3.6500    3.7400    0.0000 C   0  0
   -3.8600    2.2500    0.0000 O   0  0
   -5.4200    1.8000    0.0000 C   0  0
   -5.4000    0.1900    0.0000 C   0  0
   -3.7500   -0.1100    0.0000 O   0  0
   -3.6400   -1.6200    0.0000 C   0  0
   -2.0200   -1.5900    0.0000 C   0  0
   -1.8000    0.0000    0.0000 O   0  0
   -0.3800    0.3300    0.0000 C   0  0
    0.8900   -0.4100    0.0000 C   0  0
    2.1900    0.3300    0.0000 C   0  0
    6.1101   -1.8881    0.0000 C   0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 15  2  0
 26 27  1  0
 27 28  2  0
 28  9  1  0
 28 13  1  0
  7 29  2  0
 29  3  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12609

> <plate>
PLATE 021

> <well>
F9

> <supplier_cmpd_name>
Icotinib

> <ctcr_id>
5539

> <supplier_cmpd_id>
T6153

> <smiles>
C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1

> <pd_targets>
{EGFR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase EGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (q) signalling events","Gastrin-CREB signalling pathway via PKC and MAPK","EGFR Transactivation by Gastrin"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{Icotinib,610798-31-7,610798317,Conmana,BPI-2009,BPI2009,UNII-9G6U5L461Q,UNII9G6U5L461Q,CHEMBL2087361,9G6U5L461Q,Lcotinib,Icotinib(Lcotinib),"icotinib,BPI-2009H","icotinib,BPI2009H",GTPL7641,SCHEMBL58
43603,DTXSID20209952,EX-A306,EXA306,HMS3651F12,4-((3-ethynylphenyl)amino)-6,4((3ethynylphenyl)amino)6,7-benzo-12-crown-4-qui,7benzo12crown4qui,T6153,S2922}

> <pdid>
PD010514

> <targets>
{EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{22024915}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
   -7.0985   -5.3933    0.0000 Cl  0  0
   -5.6304   -5.7009    0.0000 C   0  0
   -5.1627   -7.1261    0.0000 C   0  0
   -3.6946   -7.4337    0.0000 C   0  0
   -2.6940   -6.3161    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.7622   -9.1698    0.0000 N   0  0
   -1.4360  -10.6208    0.0000 C   0  0
   -2.7351  -11.3706    0.0000 C   0  0
   -3.8497  -10.3667    0.0000 N   0  0
   -3.2393   -8.9965    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.1618   -4.8908    0.0000 C   0  0
   -2.1614   -3.7731    0.0000 Cl  0  0
   -4.6300   -4.5832    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
  6 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 15  1  0
 24 18  1  0
  5 25  1  0
 25 26  1  0
 25 27  2  0
 27  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12610

> <plate>
PLATE 021

> <well>
F10

> <supplier_cmpd_name>
Sertaconazole nitrate

> <ctcr_id>
7397

> <supplier_cmpd_id>
T6665

> <smiles>
Clc1ccc(C(Cn2ccnc2)OCc3csc4c(Cl)cccc34)c(Cl)c1

> <pd_targets>
{IDO1,L3MBTL1,HSP90AA1,ERG11,CYP2C19,CYP2C9,LMNA,CYP2D6,CYP3A4,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein",Oxidoreductase,Reader,"Cytochrome P450","Methyl-lysine/arginine binding protein","Cytochrome P450 family 51","MBT domain","Cytochrome P450 fami
ly 51A","Cytochrome P450 51A1","Other nuclear protein","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochr
ome P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 2C19","Cytochrome P450 2C9","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Other protein targets","1.13.11.- Dioxygenases","Heat shock proteins","Cytochrome P450","CYP2 family: drug metabolising subset","CYP3 family","CYP1 family"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Cell Cycle","Metabolism of amino acids and derivatives","RNA Polymerase II Transcription",Mitotic,"Tryptophan catabolism","Generic Transcription Pathway"
,"Mitotic G2-G2/M phases","Transcriptional Regulation by TP53","G2/M Transition","Regulation of TP53 Activity","Centrosome maturation","Regulation of TP53 Activity through Methylation","Loss of protei
ns required for interphase microtubule organization from the centrosome","Loss of Nlp from mitotic centrosomes","Biological oxidations","Metabolism of lipids","Phase I - Functionalization of compounds
","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs",Xenobiotics,"
Mitotic Anaphase","Biosynthesis of maresins","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2
","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{Sertaconazole,99592-32-2,99592322,"Sertaconazol (Spanish)","Sertaconazolum (Latin)",FI-7045,FI7045,Ertaczo,Demofix,CHEBI:83682,Sertaconazol,Sertaconazolum,"Sertaconazole (INN)","Sertaconazole (INN:BA
N)","BRN 5385663",SR-05000001439,SR05000001439,1795786-36-5,1795786365,Se,S3161,"Sertaconazole nitrate"}

> <pdid>
PD009774

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{65863}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 67 74  0  0  1  0            999 V2000
   -9.8785   -1.2799    0.0000 C   0  0
  -10.6159    0.0263    0.0000 C   0  0
   -9.8539    1.3170    0.0000 C   0  0
   -8.7906    1.7767    0.0000 C   0  0
   -7.6213    2.8080    0.0000 C   0  0  1  0  0  0
   -9.3949    5.3852    0.0000 C   0  0
   -9.0562    3.7760    0.0000 N   0  0
   -9.9666    2.2821    0.0000 C   0  0
   -7.2598    3.9925    0.0000 C   0  0
   -6.3969    4.7752    0.0000 C   0  0
   -5.0847    4.7896    0.0000 C   0  0
   -4.4469    5.9968    0.0000 N   0  0
   -5.4807    6.7939    0.0000 C   0  0
   -5.3783    7.9659    0.0000 C   0  0
   -6.4350    8.5643    0.0000 C   0  0
   -7.7902    7.7717    0.0000 C   0  0
   -7.7896    6.6020    0.0000 C   0  0
   -6.6978    6.0821    0.0000 C   0  0
   -4.6571    3.9977    0.0000 C   0  0  1  0  0  0
   -5.4925    3.1494    0.0000 C   0  0
   -3.4221    4.8504    0.0000 C   0  0
   -2.0670    4.2072    0.0000 O   0  0
   -3.5421    6.3465    0.0000 O   0  0
   -2.3077    7.1987    0.0000 C   0  0
   -4.0318    2.6323    0.0000 C   0  0
   -2.5657    2.5157    0.0000 C   0  0
   -1.9493    1.1329    0.0000 C   0  0
   -2.7823    0.0000    0.0000 C   0  0
   -4.2817    0.1000    0.0000 C   0  0
   -4.8982    1.4328    0.0000 C   0  0
   -6.3927    1.5708    0.0000 O   0  0
   -7.2597    0.3467    0.0000 C   0  0
   -1.9493   -1.2495    0.0000 N   0  0
   -2.4335   -2.6692    0.0000 C   0  0
   -0.5665   -0.7830    0.0000 C   0  0  1  0  0  0
    0.6997   -1.5161    0.0000 C   0  0  2  0  0  0
   -0.6257   -2.2184    0.0000 O   0  0
    2.0326   -0.7830    0.0000 C   0  0  2  0  0  0
    3.3301   -1.5369    0.0000 O   0  0
    3.3273   -3.0377    0.0000 C   0  0
    2.4602   -3.5358    0.0000 C   0  0
    4.6244   -3.7910    0.0000 O   0  0
    2.0326    0.6831    0.0000 C   0  0  2  0  0  0
    3.3312   -0.0685    0.0000 C   0  0
    4.1981    0.4300    0.0000 C   0  0
    3.2821    1.3995    0.0000 C   0  0
    3.2821    2.8989    0.0000 C   0  0
    1.5328    3.8485    0.0000 C   0  0
    0.4165    2.8656    0.0000 N   0  0
   -1.0329    3.0488    0.0000 C   0  0
   -1.6660    1.6994    0.0000 C   0  0
   -0.5665    0.6997    0.0000 C   0  0  2  0  0  0
    0.7331    1.4328    0.0000 C   0  0  2  0  0  0
    1.9918   -2.2373    0.0000 C   0  0
    1.9807   -3.2373    0.0000 O   0  0
    3.3001   -1.5018    0.0000 O   0  0
    4.5909   -2.2657    0.0000 C   0  0
   11.0251    4.2614    0.0000 O   0  0
   11.0251    2.7614    0.0000 C   0  0
    9.7251    2.0114    0.0000 C   0  0
    9.7251    0.5114    0.0000 O   0  0
    8.4251    2.7614    0.0000 C   0  0
    8.4251    4.2614    0.0000 O   0  0
    7.1258    2.0119    0.0000 O   0  0
   12.3251    2.0114    0.0000 C   0  0
   12.3251    0.5114    0.0000 O   0  0
   13.6244    2.7610    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 10  1  0
 18 13  1  0
 11 19  1  0
 19 20  1  0
 20  5  1  0
 19 21  1  6
 21 22  2  0
 21 23  1  0
 23 24  1  0
 19 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 30 31  1  0
 31 32  1  0
 28 33  1  0
 33 34  1  0
 35 33  1  6
 35 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  1
 39 40  1  0
 40 41  1  0
 40 42  2  0
 38 43  1  0
 43 44  1  6
 44 45  1  0
 43 46  1  0
 46 47  2  3
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 52 51  1  1
 52 27  1  0
 52 35  1  0
 52 53  1  0
 53 43  1  0
 53 49  1  1
 36 54  1  0
 54 55  2  0
 54 56  1  0
 56 57  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 60 62  1  0
 62 63  1  0
 62 64  2  0
 59 65  1  0
 65 66  1  0
 65 67  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12611

> <plate>
PLATE 021

> <well>
F11

> <supplier_cmpd_name>
Vinorelbine Tartrate

> <ctcr_id>
1173

> <supplier_cmpd_id>
T6213

> <smiles>
CCC1=C[C@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC.OC(C(O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"VINORELBINE BITATRATE",MLS001401463,HMS2051D08,CCG-101008,CCG101008,NC00258,SMR000469210,AB01274128-01,AB0127412801,T6213,SAM001246780,"Vinorelbine Tartrate",CPD000469210}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23581803}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    2.7248   -1.2135    0.0000 B   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
    3.1882   -2.6401    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  2  1  0
  7 10  1  0
  1 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12612

> <plate>
PLATE 021

> <well>
G2

> <supplier_cmpd_name>
Tavaborole

> <ctcr_id>
11244

> <supplier_cmpd_id>
T3349

> <smiles>
B1(c2c(CO1)cc(cc2)F)O

> <pd_targets>
{CDC60,CA2,CA1}

> <pathway_gtopdb>
{Enzyme,Ligase,Lyase}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases"}

> <pathway_reactome>
{"Transport of small molecules","Immune System","O2/CO2 exchange in erythrocytes","Cytokine Signaling in Immune system","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleuk
ins","Interleukin-12 family signaling","Interleukin-12 signaling","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation"}

> <broad_targets>
{}

> <broad_moa>
{"leucyl-tRNA synthetase inhibitor"}

> <synonyms>
{Tavaborole,174671-46-6,174671466,"174671 46 6",AN-2690,AN2690,"AN 2690","5-FLUOROBENZO(C)(1,2)OXABOROL-1(3H)-OL","5FLUOROBENZO(C)(1,2)OXABOROL1(3H)OL","5 FLUOROBENZO(C)(1,2)OXABOROL 1(3H) OL","2,1-Be
nzoxaborole, 5-fluoro-1,3-dihydro-1-hydroxy-","2,1Benzoxaborole, 5fluoro1,3dihydro1hydroxy",T4040,T3349,AN2718}

> <pdid>
PD009394

> <targets>
{Antifungal,Fungal}

> <classes>
{Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{11499245}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 52 55  0  0  1  0            999 V2000
  -16.8936  -28.1182    0.0000 C   0  0
  -15.5967  -27.3644    0.0000 O   0  0
  -15.6002  -25.8636    0.0000 C   0  0
  -14.3026  -25.1094    0.0000 C   0  0
  -14.3060  -23.6086    0.0000 O   0  0
  -13.0084  -22.8544    0.0000 C   0  0
  -13.0119  -21.3535    0.0000 C   0  0
  -11.7143  -20.5994    0.0000 O   0  0
  -11.7177  -19.0985    0.0000 C   0  0
  -10.4202  -18.3443    0.0000 C   0  0
  -10.4236  -16.8435    0.0000 O   0  0
   -9.1260  -16.0893    0.0000 C   0  0
   -9.1294  -14.5885    0.0000 C   0  0
   -7.8319  -13.8343    0.0000 O   0  0
   -7.8353  -12.3335    0.0000 C   0  0
   -6.5377  -11.5793    0.0000 C   0  0
   -6.5411  -10.0785    0.0000 O   0  0
   -5.2436   -9.3243    0.0000 C   0  0
   -5.2470   -7.8235    0.0000 C   0  0
   -3.9494   -7.0693    0.0000 O   0  0
   -3.9529   -5.5685    0.0000 C   0  0
   -2.6553   -4.8143    0.0000 C   0  0
   -2.6587   -3.3134    0.0000 O   0  0
   -1.3618   -2.5589    0.0000 C   0  0  1  0  0  0
    0.0000   -3.2772    0.0000 C   0  0
    1.0774   -2.5589    0.0000 C   0  0
    1.0774   -1.1373    0.0000 C   0  0  1  0  0  0
    2.3045   -0.4040    0.0000 C   0  0  1  0  0  0
    2.3045    0.9727    0.0000 C   0  0
    1.0625    1.6760    0.0000 C   0  0
    0.0000    0.9727    0.0000 C   0  0
    0.0000   -0.4040    0.0000 C   0  0  1  0  0  0
   -1.3618   -1.1223    0.0000 C   0  0  1  0  0  0
   -2.5589    0.2394    0.0000 O   0  0
   -1.3618    1.6760    0.0000 C   0  0
   -1.3618    3.0827    0.0000 C   0  0
    0.0000    3.7710    0.0000 C   0  0
    1.0625    3.0827    0.0000 C   0  0
   -2.6395    3.8685    0.0000 O   0  0
    0.0000   -1.9005    0.0000 C   0  0
    3.2622   -1.9005    0.0000 C   0  0
    3.2622   -1.0625    0.0000 N   0  0
    4.6577   -0.4958    0.0000 C   0  0
    5.8415   -1.4184    0.0000 C   0  0
    7.2320   -0.8558    0.0000 C   0  0
    2.3821   -1.8775    0.0000 O   0  0
   11.0327  -11.7499    0.0000 C   0  0
    9.7334  -12.4995    0.0000 O   0  0
   12.3327  -12.4999    0.0000 C   0  0
   13.6320  -11.7503    0.0000 O   0  0
   12.3327  -13.9999    0.0000 O   0  0
   11.0327  -10.2499    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 24 23  1  6
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 27  1  0
 32 33  1  0
 33 24  1  0
 33 34  1  6
 34 35  1  0
 35 31  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 30  1  0
 36 39  1  0
 32 40  1  1
 40 41  1  0
 41 42  1  0
 42 28  1  0
 42 43  1  0
 43 44  1  0
 44 45  2  0
 27 46  1  1
 47 48  2  0
 47 49  1  0
 49 50  2  0
 49 51  1  0
 47 52  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12613

> <plate>
PLATE 021

> <well>
G3

> <supplier_cmpd_name>
Naloxegol oxalate

> <ctcr_id>
11245

> <supplier_cmpd_id>
T3355

> <smiles>
COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@]2([C@H]3Cc4c5[C@]2([C@H]1Oc5c(cc4)O)CCN3CC=C)O.C(=O)(C(=O)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Naloxegol oxalate",1354744-91-4,1354744914,"1354744 91 4","Naloxegol (oxalate)",UNII-65I14TNM33,UNII65I14TNM33,"UNII 65I14TNM33","NKTR-118 oxalate","NKTR118 oxalate","NKTR 118 oxalate","Naloxegol ox
alate (USAN)","AZ13337019 oxalate",6,T3355}

> <pdid>

> <targets>
{CYP3A}

> <classes>
{Metabolism}

> <pubchem_cids>
{56959086}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 24  0  0  0  0            999 V2000
   14.1698   -8.6406    0.0000 Br  0  5
   11.6676  -18.7804    0.0000 C   0  0
   11.6698  -17.2804    0.0000 C   0  0
   10.3716  -16.5273    0.0000 C   0  0
   10.3737  -15.0265    0.0000 C   0  0
    9.0755  -14.2734    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  3
    2.5909   -6.0056    0.0000 C   0  0
    3.8883   -6.7578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  CHG  2   1  -1  14   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12614

> <plate>
PLATE 021

> <well>
G4

> <supplier_cmpd_name>
Domiphen Bromide

> <ctcr_id>
4320

> <supplier_cmpd_id>
T6477

> <smiles>
[Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1

> <pd_targets>
{ALDH1A1,MAPK1,CYP3A4,LMNA,HIF1A,HTT,FFP}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Unclassified protein",Oxidoreductase,Kinase,"Cytochrome P450",Protease,Transferase,"Protein Kinase","Cytochrome P450 family 3","Cysteine proteas
e","CMGC protein kinase group","Cytochrome P450 family 3A","Cysteine protease CA clan","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Cysteine protease C1A family","CMGC protein kinase ERK1"
}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Cytochrome P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Cell Cycle","Cellular responses to external stimuli","Gene expression (Transcription)","Biological oxidations","Innate Immune System","Metabolism of lipids",Mitotic,"Cellu
lar responses to stress","RNA Polymerase II Transcription","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase
","Cellular response to hypoxia","Generic Transcription Pathway","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Oxygen-d
ependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by MECP2","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Mitotic Anaphase","Regu
lation of MECP2 expression and activity","MAP kinase activation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","MAPK targets/ Nuclear events mediated by MAP kinases","Initiati
on of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"domiphen bromide",538-71-6,538716,"Domiphen (bromide)","Phenododecinium bromide","1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide","1Dodecanaminium, N,NdimethylN(2phenoxyethyl), bromide"
,"N,N-dimethyl-N-(2-phenoxyethyl)dodecan-1-aminium bromide","N,NdimethylN(2phenoxyethyl)dodecan1aminium bromide",UNII-R4CY19YS7C,UNIIR4CY19YS7C,MFCD00011769,R4CY19YS7C,Bradasol,Fung,T6477,S4186,"Domip
hen Bromide"}

> <pdid>
PD013949

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{10866}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 25  0  0  0  0            999 V2000
   10.1943   -2.7559    0.0000 H   0  3
    7.6943   -2.7559    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 S   0  0
    5.1937   -3.0093    0.0000 O   0  0
    5.1912   -4.5090    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.6234   -3.0602    0.0000 C   0  0
   -4.9781   -4.5176    0.0000 C   0  0
   -3.8933   -5.5536    0.0000 N   0  0
   -4.2480   -7.0110    0.0000 C   0  0
   -2.4537   -5.1320    0.0000 C   0  0
   -2.0990   -3.6745    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 17  1  0
 16 24  1  0
 24 13  1  0
 24 25  2  0
 25 10  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12615

> <plate>
PLATE 021

> <well>
G5

> <supplier_cmpd_name>
Naratriptan

> <ctcr_id>
1837

> <supplier_cmpd_id>
T6602

> <smiles>
[H+].[Cl-].CN[S](=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1

> <pd_targets>
{HTR1B,HTR1D,HTR1F,HTR1A,HTR1E}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Serotonin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Serotonin receptors"}

> <broad_targets>
{HTR1A,HTR1B,HTR1D,HTR1E,HTR1F}

> <broad_moa>
{"serotonin receptor agonist"}

> <synonyms>
{"NARATRIPTAN HYDROCHLORIDE",143388-64-1,143388641,Amerge,"Naratriptan HCl",Naramig,GR-85548A,GR85548A,"GR 85548A","Naratriptan (hydrochloride)",UNII-10X8X4P12Z,UNII10X8X4P12Z,"GR-85548A hydrochloride
","GR85548A hydrochloride",10X8X4P12Z,MFCD08141821,DSSTox_CID_28990,DSSToxCID28990,DSSTox-CID-28990,"DSSTox CID 28990",DSSTox_RID_83255,DSSToxRID83255,DSSTox-RID-83255,"DSSTox RID 83255",DSSTox_GSID_4
9064,DSSToxGSID49064,DSSTox-GSID-49064,"DSSTox GSID 49064",CHEBI:,T6602,S1488,S1506,Naratriptan,Naratriptan,"Perindopril Erbumine"}

> <pdid>
PD009622

> <targets>
{"5-HT Receptor",RAAS}

> <classes>
{"Endocrinology & Hormones","Neuronal Signaling"}

> <pubchem_cids>
{60875,25137850}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

111106  0  0  0  0            999 V2000
   30.7296    1.8728    0.0000 Na  0  3
   28.2296    1.8728    0.0000 Na  0  3
   25.7296    1.8728    0.0000 Na  0  3
   23.2296    1.8728    0.0000 Na  0  3
   20.7296    1.8728    0.0000 Na  0  3
   -3.9602   -0.6996    0.0000 C   0  0
   -2.5496   -1.2097    0.0000 C   0  0
   -1.4013   -0.2433    0.0000 C   0  0
   -1.6643    1.2334    0.0000 C   0  0
    0.0000   -0.7500    0.0000 C   0  0
    1.3000   -2.2500    0.0000 N   0  0
    1.3000   -3.7500    0.0000 C   0  0
    0.0011   -4.5002    0.0000 O   0  0
    2.6000   -4.5000    0.0000 C   0  0
    2.6031   -6.0008    0.0000 C   0  0
    3.9039   -6.7494    0.0000 C   0  0
    3.9070   -8.2502    0.0000 N   0  0
    5.2078   -8.9988    0.0000 C   0  0
    5.2109  -10.4996    0.0000 S   0  0
    3.9132  -11.2519    0.0000 O   0  5
    6.5110  -11.2477    0.0000 O   0  0
    5.2133  -11.9996    0.0000 O   0  0
    3.9000   -3.7500    0.0000 N   0  0
    5.2000   -4.5000    0.0000 C   0  0
    5.2000   -6.0000    0.0000 O   0  0
    6.5000   -3.7500    0.0000 C   0  0
    7.8000   -4.5000    0.0000 C   0  0
    9.1000   -3.7500    0.0000 C   0  0
    9.1000   -2.2500    0.0000 N   0  0
   10.4000   -1.5000    0.0000 C   0  0
   11.6989   -2.2502    0.0000 O   0  0
   10.4000    0.0000    0.0000 C   0  0
    9.1000    0.7500    0.0000 N   0  0
    9.1000    2.2500    0.0000 C   0  0
   10.3989    3.0002    0.0000 O   0  0
    7.8000    3.0000    0.0000 C   0  0
    6.3214    2.7424    0.0000 C   0  0
    6.3174    1.2416    0.0000 C   0  0
    5.0161    0.4938    0.0000 N   0  0
    5.0121   -1.0070    0.0000 C   0  0
    3.7108   -1.7547    0.0000 S   0  0
    2.4136   -1.0017    0.0000 O   0  5
    3.7068   -3.2547    0.0000 O   0  0
    2.4099   -2.5015    0.0000 O   0  0
    7.8000    4.5000    0.0000 N   0  0
    6.5000    5.2500    0.0000 C   0  0
    6.5000    6.7500    0.0000 O   0  0
    5.2000    4.5000    0.0000 C   0  0
    3.8987    3.7523    0.0000 C   0  0
    2.9356    4.9033    0.0000 C   0  0
    3.4501    6.3132    0.0000 N   0  0
    2.4870    7.4643    0.0000 C   0  0
    3.0014    8.8742    0.0000 S   0  0
    4.4789    9.1331    0.0000 O   0  5
    2.0389   10.0247    0.0000 O   0  0
    3.5162   10.2831    0.0000 O   0  0
    3.9000    5.2500    0.0000 N   0  0
    2.6000    4.5000    0.0000 C   0  0
    1.3011    5.2502    0.0000 O   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    2.2500    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.7054    0.2257    0.0000 O   0  0
    3.8982    2.2469    0.0000 C   0  0
    5.1985    2.9946    0.0000 C   0  0
    3.3829    0.8373    0.0000 C   0  0
    4.3447   -0.3137    0.0000 C   0  0
   11.3623    1.1517    0.0000 C   0  0
   12.8400    0.8938    0.0000 C   0  0
   10.8473    2.5605    0.0000 O   0  0
    7.0162   -2.3407    0.0000 N   0  0
    8.4946   -2.0822    0.0000 C   0  0
    9.4568   -3.2330    0.0000 O   0  0
    9.0108   -0.6730    0.0000 C   0  0
    7.7139    0.0824    0.0000 C   0  0
    7.7187    1.5832    0.0000 C   0  0
    9.0203    2.3303    0.0000 N   0  0
    9.0251    3.8311    0.0000 C   0  0
   10.3267    4.5783    0.0000 S   0  0
   11.6280    5.3243    0.0000 O   0  5
   10.3315    6.0782    0.0000 O   0  0
   11.6236    3.8246    0.0000 O   0  0
   10.3116    0.0756    0.0000 N   0  0
   11.6108   -0.6758    0.0000 C   0  0
   11.6091   -2.1758    0.0000 O   0  0
   13.0892   -0.4173    0.0000 C   0  0
   13.6054    0.9919    0.0000 N   0  0
   15.0838    1.2504    0.0000 C   0  0
   16.0460    0.0997    0.0000 O   0  0
   15.6000    2.6597    0.0000 C   0  0
   14.6397    3.8130    0.0000 C   0  0
   15.1574    5.2217    0.0000 C   0  0
   14.1971    6.3751    0.0000 N   0  0
   14.7149    7.7838    0.0000 C   0  0
   13.7545    8.9371    0.0000 S   0  0
   12.7942   10.0894    0.0000 O   0  5
   14.2720   10.3450    0.0000 O   0  0
   12.2764    8.6818    0.0000 O   0  0
   17.0784    2.9182    0.0000 N   0  0
   17.5946    4.3274    0.0000 C   0  0
   16.6324    5.4782    0.0000 O   0  0
   19.0730    4.5860    0.0000 C   0  0
   19.5892    5.9952    0.0000 C   0  0
   21.0676    6.2537    0.0000 C   0  0
   21.5838    7.6630    0.0000 C   0  0
   23.0622    7.9215    0.0000 C   0  0
   23.5782    9.3300    0.0000 C   0  0
   24.0244    6.7707    0.0000 C   0  0
   14.0543   -1.5667    0.0000 C   0  0
   13.5412   -2.9763    0.0000 C   0  0
   15.5316   -1.3067    0.0000 O   0  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
 14 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  2  0
 41 44  2  0
 36 45  1  0
 45 46  1  0
 46 47  2  0
 46 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 53 55  2  0
 53 56  2  0
 48 57  1  0
 57 58  1  0
 58 59  2  0
 58 60  1  0
 60 61  1  0
 61 62  1  0
 62 10  1  0
 62 63  2  0
 60 64  1  0
 64 65  1  0
 64 66  1  0
 66 67  1  0
 32 68  1  0
 68 69  1  0
 68 70  1  0
 26 71  1  0
 71 72  1  0
 72 73  2  0
 72 74  1  0
 74 75  1  0
 75 76  1  0
 76 77  1  0
 77 78  1  0
 78 79  1  0
 79 80  1  0
 79 81  2  0
 79 82  2  0
 74 83  1  0
 83 84  1  0
 84 85  2  0
 84 86  1  0
 86 87  1  0
 87 88  1  0
 88 89  2  0
 88 90  1  0
 90 91  1  0
 91 92  1  0
 92 93  1  0
 93 94  1  0
 94 95  1  0
 95 96  1  0
 95 97  2  0
 95 98  2  0
 90 99  1  0
 99100  1  0
100101  2  0
100102  1  0
102103  1  0
103104  1  0
104105  1  0
105106  1  0
106107  1  0
106108  1  0
 86109  1  0
109110  1  0
109111  1  0
M  CHG  8   1   1   2   1   3   1   4   1   5   1  20  -1  42  -1  54  -1
M  CHG  2  80  -1  96  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12616

> <plate>
PLATE 021

> <well>
G6

> <supplier_cmpd_name>
Colistimethate Sodium

> <ctcr_id>
2930

> <supplier_cmpd_id>
T3501

> <smiles>
[Na+].[Na+].[Na+].[Na+].[Na+].CCC(C)C1NC(=O)C(CCNC[S]([O-])(=O)=O)NC(=O)C(CCNC(=O)C(NC(=O)C(CCNC[S]([O-])(=O)=O)NC(=O)C(CCNC[S]([O-])(=O)=O)NC(=O)C(NC1=O)C(C)CC)C(C)O)NC(=O)C(CCNC[S]([O-])(=O)=O)NC(=O
)C(NC(=O)C(CCNC[S]([O-])(=O)=O)NC(=O)CCCCC(C)C)C(C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SPECTRUM1500206,HMS501I10,HMS1920A10,HMS2091G18,CCG-39757,CCG39757,NCGC00094630-02,NCGC0009463002,"(Brit.J.Pharmacol.Chemother. 23:552 (1964))",1500206,"COLISTIMETHATE SODIUM"}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5702027}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 38  0  0  1  0            999 V2000
    2.2091   -3.8998    0.0000 C   0  0
    0.7091   -3.8999    0.0000 C   0  0  2  0  0  0
   -0.0407   -5.2000    0.0000 C   0  0
   -1.5408   -5.2028    0.0000 C   0  0
   -2.2885   -6.5031    0.0000 C   0  0
   -1.5362   -7.8008    0.0000 C   0  0
   -0.0362   -7.7982    0.0000 C   0  0
    0.7115   -6.4978    0.0000 C   0  0
    0.7166   -9.0966    0.0000 C   0  0
   -0.0303  -10.3974    0.0000 F   0  0
    2.2166   -9.0934    0.0000 F   0  0
    1.4695  -10.3939    0.0000 F   0  0
   -3.7893   -6.5058    0.0000 C   0  0
   -4.5424   -5.2086    0.0000 F   0  0
   -4.5366   -7.8064    0.0000 F   0  0
   -5.2893   -6.5092    0.0000 F   0  0
   -0.0410   -2.6000    0.0000 O   0  0
    0.7089   -1.2999    0.0000 C   0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0
   -0.7540    1.2970    0.0000 C   0  0
   -2.2621    1.2970    0.0000 C   0  0
   -3.0162    0.0000    0.0000 C   0  0  1  0  0  0
   -3.8909    1.2065    0.0000 C   0  0
   -5.3236    0.7390    0.0000 C   0  0
   -5.3236   -0.7540    0.0000 C   0  0
   -6.5334   -1.6407    0.0000 O   0  0
   -3.8909   -1.2065    0.0000 N   0  0
   -2.2621   -1.2970    0.0000 C   0  0
   -0.7540   -1.2970    0.0000 N   0  0
    0.7092    1.3002    0.0000 C   0  0
    2.2088    1.3365    0.0000 C   0  0
    2.9270    2.6534    0.0000 C   0  0
    2.1458    3.9338    0.0000 C   0  0
    0.6462    3.8975    0.0000 C   0  0
   -0.0721    2.5806    0.0000 C   0  0
    5.4270   -3.2321    0.0000 Cl  0  0
  2  1  1  6
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
  5 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
  2 17  1  0
 17 18  1  0
 19 18  1  6
 19 20  1  0
 20 21  1  0
 22 21  1  6
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 22  1  0
 22 28  1  0
 28 29  1  0
 29 19  1  0
 19 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12617

> <plate>
PLATE 021

> <well>
G7

> <supplier_cmpd_name>
Rolapitant hydrochloride

> <ctcr_id>
11247

> <supplier_cmpd_id>
T3724

> <smiles>
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)c1ccccc1.Cl

> <pd_targets>
{TACR1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Neurokinin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Tachykinin receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors","Tachykinin receptors bind tachykinins"}

> <broad_targets>
{}

> <broad_moa>
{"neurokinin receptor antagonist"}

> <synonyms>
{"Rolapitant hydrochloride","Rolapitant HCl",UNII-J7Z9DBN8J0,UNIIJ7Z9DBN8J0,"Rolapitant hydrochloride anhydrous",858102-79-1,858102791,J7Z9DBN8J0,"914462-92-3 (HCl)","914462923 (HCl)",rolapitant.HCl,"
rolapitant monohydrochloride",CHEBI:90912,DTXSID40235091,"rolapitant hyd",T3724}

> <pdid>
PD009271

> <targets>
{NK1}

> <classes>
{Neuroscience}

> <pubchem_cids>
{71587824}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 28  0  0  1  0            999 V2000
   12.7120    0.6826    0.0000 C   0  0
   11.2194    0.8311    0.0000 C   0  0
   10.3432   -0.3874    0.0000 C   0  0
    8.8523   -0.2390    0.0000 C   0  0  2  0  0  0
    7.8525   -1.3573    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0  2  0  0  0
    6.6317    0.7404    0.0000 N   0  0
    5.5076    1.7335    0.0000 C   0  0
    8.0978    1.0574    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0  2  0  0  0
    2.6060   -2.9986    0.0000 C   0  0
    1.3096   -3.7531    0.0000 C   0  0
    3.9075   -3.7444    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0031    3.0008    0.0000 S   0  0
    1.3032    3.7490    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9  4  1  0
  6 10  1  1
 10 11  2  0
 10 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  0
 14 16  1  0
 13 17  1  0
 17 18  1  6
 18 19  1  0
 19 20  1  1
 20 21  1  0
 19 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  6
 24 26  1  0
 26 17  1  0
 26 27  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12618

> <plate>
PLATE 021

> <well>
G8

> <supplier_cmpd_name>
Clindamycin

> <ctcr_id>
7242

> <supplier_cmpd_id>
T6447

> <smiles>
CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H](C(C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O

> <pd_targets>
{AMPC,L3MBTL1,ALDH1A1,RPLA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Hydrolase,Reader,Oxidoreductase,"Methyl-lysine/arginine binding protein","MBT domain"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Biological oxidations","Generic Transcription Pathway","Phase I - Functionalization of compounds","Transcriptional Regu
lation by TP53","Ethanol oxidation","Regulation of TP53 Activity","Regulation of TP53 Activity through Methylation"}

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{clindamycin,SCHEMBL22364342,s2830,NCGC00386172-02,NCGC0038617202,AB01274742-01,AB0127474201,AB01274742_02,AB0127474202,AB01274742-02,"AB01274742 02",AB01274742_03,AB0127474203,AB01274742-03,"AB012747
42 03","Clindamycin, Antibiotic for Culture Media Use Only",W-107799,W107799,S2830,"Clindamycin HCl",Clindamycin}

> <pdid>
PD009752

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{53245639}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 36  0  0  1  0            999 V2000
    5.0987    4.5037    0.0000 Ca  0  2
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -6.4971    0.7455    0.0000 N   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -9.0975    0.7432    0.0000 C   0  0
  -10.3965    1.4932    0.0000 C   0  0
  -10.3966    2.9932    0.0000 C   0  0
   -9.0976    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
  -11.6948    3.7462    0.0000 C   0  0
  -12.9951    2.9985    0.0000 O   0  0
  -11.6927    5.2471    0.0000 N   0  0
  -12.9910    6.0001    0.0000 C   0  0  1  0  0  0
  -12.9889    7.5009    0.0000 C   0  0
  -14.2871    8.2540    0.0000 C   0  0
  -14.2850    9.7548    0.0000 C   0  0
  -12.9847   10.5026    0.0000 O   0  5
  -15.5825   10.5074    0.0000 O   0  0
  -14.2935    5.2546    0.0000 C   0  0
  -14.2987    3.7546    0.0000 O   0  5
  -15.5902    6.0087    0.0000 O   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.6012    3.0008    0.0000 C   0  0
   -3.9013    3.7490    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 23 22  1  6
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 23 29  1  0
 29 30  1  0
 29 31  2  0
 11 32  1  0
 32  7  1  0
 32 33  1  0
 33 34  2  0
  8 35  1  0
 35  3  1  0
M  CHG  3   1   2  27  -1  30  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12619

> <plate>
PLATE 021

> <well>
G9

> <supplier_cmpd_name>
Calcium Levofolinate

> <ctcr_id>
2448

> <supplier_cmpd_id>
T6431

> <smiles>
[Ca++].NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW73,"calcium folinate",1492-18-8,1492188,AKOS015960758,T6431,T0148L,T0148,1500364,Prestw-738,"Calcium Levofolinate","Folinic Acid Calcium Salt Pentahydrate","Calcium folinate","LEUCOVORIN CALCIUM
","Folinic acid calcium salt"}

> <pdid>

> <targets>
{}

> <classes>
{antianemic,"antidote to folic acid antagonists"}

> <pubchem_cids>
{15150,78759347,443893}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 O   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
    1.2982   -3.7531    0.0000 C   0  0  2  0  0  0
    1.2961   -5.2539    0.0000 C   0  0
    2.5943   -6.0070    0.0000 N   0  0
    2.5922   -7.5078    0.0000 C   0  0
    3.8904   -8.2609    0.0000 C   0  0
    3.8882   -9.7617    0.0000 C   0  0
    5.1847  -10.5163    0.0000 C   0  0
    5.1795  -12.0163    0.0000 C   0  0
    3.8778  -12.7618    0.0000 C   0  0
    2.5814  -12.0073    0.0000 C   0  0
    2.5866  -10.5073    0.0000 C   0  0
    3.8696  -14.2626    0.0000 O   0  0
    2.5669  -15.0063    0.0000 C   0  0
    1.2918   -8.2556    0.0000 C   0  0
    1.2943   -6.7558    0.0000 C   0  0
    2.5986   -3.0053    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  1  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 10 12  1  0
  8 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 21 24  1  0
 24 25  1  0
 16 26  1  0
 16 27  1  0
 13 28  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12620

> <plate>
PLATE 021

> <well>
G10

> <supplier_cmpd_name>
Olodaterol

> <ctcr_id>
11248

> <supplier_cmpd_id>
T3457

> <smiles>
O1CC(=O)Nc2c1c(cc(c2)O)[C@H](CNC(Cc1ccc(cc1)OC)(C)C)O

> <pd_targets>
{ADRB2,ADRB1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{OLODATEROL,868049-49-4,868049494,"Olodaterol Free Base",BI-1744,BI1744,"BI 1744",UNII-VD2YSN1AFD,UNIIVD2YSN1AFD,VD2YSN1AFD,CHEBI:82700,"868049-49-4 (free base)","868049494 (free base)","Striverdi res
pimat (TN)",Striverdi,"BI-1744 CL","BI1744 CL","Olodaterol (USAN:INN)","BI 1744(Olodaterol;Striverdi Respimat)",T3457,Olodaterol}

> <pdid>
PD016253

> <targets>
{¦Â2-adrenoceptor}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{11504295}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5536   -4.4230    0.0000 C   0  0
   -4.0444   -4.5346    0.0000 C   0  0
   -4.6946   -5.8864    0.0000 C   0  0
   -3.8489   -7.1253    0.0000 C   0  0
   -2.3532   -7.0124    0.0000 C   0  0
   -1.7031   -5.6606    0.0000 C   0  0
   -4.4994   -8.4778    0.0000 C   0  0
   -5.9950   -8.5931    0.0000 C   0  0
   -6.6430   -9.9460    0.0000 C   0  0
   -5.7954  -11.1835    0.0000 C   0  0
   -4.2998  -11.0683    0.0000 N   0  0
   -3.6518   -9.7155    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12  4  1  0
 12  8  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12621

> <plate>
PLATE 021

> <well>
G11

> <supplier_cmpd_name>
Niraparib

> <ctcr_id>
6303

> <supplier_cmpd_id>
T3231

> <smiles>
NC(=O)c1cccc2cn(nc12)c3ccc(cc3)C4CCCNC4

> <pd_targets>
{TNKS,PARP1,PARP10,PARP4,PARP2,PARP3,TNKS2,PARP12,PARP14,PARP15}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{"Signal Transduction",Disease,"DNA Repair","Intracellular signaling by second messengers","Infectious disease","Base Excision Repair","PIP3 activates AKT signaling","Influenza Infection","SARS-CoV In
fections","Resolution of Abasic Sites (AP sites)","PTEN Regulation","Influenza Viral RNA Transcription and Replication","SARS-CoV-1 Infection","Resolution of AP sites via the multiple-nucleotide patch
 replacement pathway","Regulation of PTEN stability and activity","vRNA Synthesis","Translation of structural proteins","POLB-Dependent Long Patch Base Excision Repair","Maturation of nucleoprotein"}

> <broad_targets>
{PARP1}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{"K4827 (NIRAPARIB",1038915-75-1,1038915751,"MK-4827 Racemate","MK4827 Racemate",2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide,2(4(piperidin3yl)phenyl)2Hindazole7carboxamide,2-(4-piperidin-3-
ylphenyl)indazole-7-carboxamide,2(4piperidin3ylphenyl)indazole7carboxamide,CHEMBL1098298,"Niraparib Racemate;MK4827 Racemate;MK 4827 Racemate","MK-4827 (R-enantiomer)","MK4827 (Renantiomer)",MK-,MK,T3
231,S2741,Niraparib,"MK-4827 (Niraparib)"}

> <pdid>
PD012925

> <targets>
{PARP}

> <classes>
{}

> <pubchem_cids>
{24958198}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    3.2120   -5.3685    0.0000 C   0  0
    1.9985   -6.2502    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.0157   -3.6164    0.0000 C   0  0
   -0.4771   -3.7707    0.0000 C   0  0
   -1.7562   -3.1504    0.0000 C   0  0
   -1.6001   -4.6423    0.0000 C   0  0
    1.6281   -2.2462    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 O   0  0
    5.7127   -3.2367    0.0000 O   0  0
    7.0120   -2.4871    0.0000 P   0  0
    8.3113   -3.2367    0.0000 O   0  0
    7.0120   -0.9871    0.0000 O   0  0
    7.0120   -3.9871    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  1  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  5  1  0
  4  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  9  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12622

> <plate>
PLATE 021

> <well>
H2

> <supplier_cmpd_name>
Rilmenidine Phosphate

> <ctcr_id>
11249

> <supplier_cmpd_id>
T6641

> <smiles>
C1CC1C(C1CC1)NC1=NCCO1.OP(=O)(O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Rilmenidine phosphate",85409-38-7,85409387,"Rilmenidine dihydrogen phosphate","Rilmenidine (Phosphate)",UNII-59QD64Q32M,UNII59QD64Q32M,"S 3341-3","S 33413",59QD64Q32M,"N-(dicyclopropylmethyl)-4,5-di
hydro-1,3-oxazol-2-amine;phosphoric acid","N(dicyclopropylmethyl)4,5dihydro1,3oxazol2amine;phosphoric acid",2-Oxazolamine,2Oxazolamine,N-(dicyc,N(dicyc,T6641,"Rilmenidine Phosphate"}

> <pdid>

> <targets>
{"I(1) imidazoline receptor"}

> <classes>
{Others}

> <pubchem_cids>
{198614}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 26  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.6003    1.4978    0.0000 C   0  0
    3.8990    0.7455    0.0000 C   0  0
    5.1996    1.4928    0.0000 C   0  0
    3.8964   -0.7545    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4974   -3.7478    0.0000 O   0  0
   -7.7954   -2.9959    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8940   -5.2509    0.0000 O   0  0
   -2.5939   -5.9990    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -2.2500    0.0000 H   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  1
  4  5  1  0
  5  6  1  0
  5  7  1  0
  3  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  2  3
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  2  3
 21 12  1  0
 21 22  1  0
 22  9  1  0
 22 23  1  1
 22 24  1  0
 24  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12623

> <plate>
PLATE 021

> <well>
H3

> <supplier_cmpd_name>
TETRABENAZINE

> <ctcr_id>
11046

> <supplier_cmpd_id>
T3534

> <smiles>
O=C1[C@H](CC(C)C)CN2CCC3=CC(OC)=C(OC)C=C3[C@@]2([H])C1

> <pd_targets>
{KDM4E,TSHR,HSD17B10,SLC18A2,ALDH1A1,MAPK1,MAPT,HPGD,SLC18A1,POLB,SCN1A,SCN2A,SCN3A,MTOR,DRD2}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor",Enzyme,Transporter,"Other cytosolic protein","Ion channel",Eraser,"Family A G protein-coupled receptor",Oxidoreductase,"Electrochemical transporter",Kinase,
"Voltage-gated ion channel","Lysine demethylase","Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Protein Kinase","Voltage-gated sodium channel","Small molecule receptor (famil
y A GPCR)","Jumonji domain-containing","Glycohormone receptor","SLC18 family of vesicular amine transporters","CMGC protein kinase group","Atypical protein kinase group","Monoamine receptor","CMGC pro
tein kinase MAPK family","Atypical protein kinase PIKK family","Dopamine receptor","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","G protein-coupled receptors","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)","Eicosanoid turnover","1.14.11.- Histone demethy
lases","Glycoprotein hormone receptors","SLC18 family of vesicular amine transporters","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Prostaglandin synthases",Atypical,"Dopamine receptors","Mitogen-
activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Disease,Metabolism,"Neuronal System","Immune System","Transport of small molecules","DNA Repair","Gene expression (Transcription)","Signal Transduction","Infectious disease","Metabolism of amino acid
s and derivatives","Transmission across Chemical Synapses","Biological oxidations","Innate Immune System","Metabolism of lipids","SLC-mediated transmembrane transport","Base Excision Repair","RNA Poly
merase II Transcription","Signaling by GPCR","Leishmania infection","Branched-chain amino acid catabolism","Neurotransmitter release cycle","Phase I - Functionalization of compounds","Toll-like Recept
or Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Transport of bile salts and organic acids","metal ions and a
mine compounds","Resolution of Abasic Sites (AP sites)","Generic Transcription Pathway","GPCR ligand binding","Leishmania parasite growth and survival","Dopamine Neurotransmitter Release Cycle","Ethan
ol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Na+/Cl- dependent neurotransmitter transporters","Resolut
ion of AP sites via the multiple-nucleotide patch replacement pathway","Transcriptional Regulation by TP53","Class A/1 (Rhodopsin-like receptors)","Anti-inflammatory response favouring Leishmania para
site infection","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","PCNA-Dependent Long Patch Base Excision Repair","Regulation of
 TP53 Activity","Amine ligand-binding receptors","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Activation of AMPK downstream of NMDARs","Regulation of TP53 Express
ion and Degradation","Dopamine receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{SLC18A1,SLC18A2}

> <broad_moa>
{"vesicular monoamine transporter inhibitor"}

> <synonyms>
{(+)-Tetrabenazine,(+)Tetrabenazine,1026016-83-0,1026016830,"(3R,11Br)-Tetrabenazine","(3R,11Br)Tetrabenazine",UNII-69ENL3U6BF,UNII69ENL3U6BF,69ENL3U6BF,CHEMBL61636,CHEBI:64029,"(+)-Ro 1-9569","(+)Ro 
19569","Tetrabenazine, (+)-","Tetrabenazine, (+)",(+)-Tbz,(+)Tbz,"(3R,11bR)-Tbz","(3R,11bR)Tbz","Tetrabenazine R,R-form (MI)","Tetrabenazine R,Rform (MI)","Tetrabenazine ((+)-)","Tetrabenazine ((+))",
ZINC751,SCHEMBL340,T3534,T0719,TETRABENAZINE,Tetrabenazine}

> <pdid>
PD000461

> <targets>
{D2,"Synaptic vesicular amine transporter"}

> <classes>
{"GPCR/G Protein",Others,Neuroscience}

> <pubchem_cids>
{667453}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  1  0            999 V2000
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 P   0  0
    5.1873   -7.5109    0.0000 O   0  0
    6.4897   -5.2632    0.0000 O   0  0
    6.4873   -6.7630    0.0000 O   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
    1.2925   -3.7494    0.0000 C   0  0
   -0.0041   -2.9953    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  1  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  9  1  0
 13 16  1  0
  7 17  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12624

> <plate>
PLATE 021

> <well>
H4

> <supplier_cmpd_name>
Cidofovir

> <ctcr_id>
11251

> <supplier_cmpd_id>
T6244

> <smiles>
C(P(=O)(O)O)O[C@@H](Cn1c(=O)nc(cc1)N)CO

> <pd_targets>
{SLC22A6,UL54}

> <pathway_gtopdb>
{Transporter,Enzyme,"Electrochemical transporter",Transferase,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters","Organic anion transporters (OATs)"}

> <pathway_reactome>
{"Transport of small molecules","SLC-mediated transmembrane transport","Transport of bile salts and organic acids","metal ions and amine compounds","Organic cation/anion/zwitterion transport","Organic
 anion transport"}

> <broad_targets>
{}

> <broad_moa>
{"DNA polymerase inhibitor"}

> <synonyms>
{Cidofovir,113852-37-2,113852372,Vistide,HPMPC,"Cidofovir anhydrous",(S)-HPMPC,(S)HPMPC,Cidofovirum,GS-504,GS504,"Cidofovir (Vistide)","Cidofovir hydrate",(S)-1-(3-Hydroxy-2-phosphonomethoxypropyl)cyt
osine,(S)1(3Hydroxy2phosphonomethoxypropyl)cytosine,CDV,UNII-768M1V522C,UNII768M1V522C,GS-0504,GS0504,(S)-1-(3-hydroxy-2-(phosphonylmethoxy,(S)1(3hydroxy2(phosphonylmethoxy,T6244}

> <pdid>
PD010222

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{"DNA Damage/DNA Repair"}

> <pubchem_cids>
{60613}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 S   0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -5.1996    1.4928    0.0000 O   0  0
   -5.1966   -0.0070    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4855   -9.7648    0.0000 C   0  0
    7.7846  -10.5149    0.0000 C   0  0
    9.0836   -9.7649    0.0000 C   0  0
   10.3849  -10.5127    0.0000 N   0  0
   11.6836   -9.7604    0.0000 S   0  0
   11.6810   -8.2604    0.0000 C   0  0
   12.9842  -10.5078    0.0000 O   0  0
   12.9812   -9.0080    0.0000 O   0  0
    9.0836   -8.2649    0.0000 C   0  0
    7.7846   -7.5149    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 11 14  2  0
  9 15  1  0
 15 16  2  0
 16  6  1  0
  2 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 24 27  2  0
 22 28  1  0
 28 29  2  0
 29 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12625

> <plate>
PLATE 021

> <well>
H5

> <supplier_cmpd_name>
Dofetilide

> <ctcr_id>
3554

> <supplier_cmpd_id>
T6476

> <smiles>
CN(CCOc1ccc(N[S](C)(=O)=O)cc1)CCc2ccc(N[S](C)(=O)=O)cc2

> <pd_targets>
{GSC2,KCNH2,CACNA1C,CACNA1D,CACNA1F,CACNA1S,KCNH1,KCNK2,KCNJ12}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transferase,"Voltage-gated ion channel","Potassium channels","Voltage-gated calcium channel","Voltage-gated potassium channel","Two-pore domain potassium channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Potassium channels","Voltage-gated potassium channels","Two P domain potassium channels","Inwardly rectifying potassium channels"}

> <pathway_reactome>
{"Muscle contraction","Neuronal System","Cardiac conduction","Potassium Channels","Transmission across Chemical Synapses","Phase 3 - rapid repolarisation","Voltage gated Potassium channels","Tandem po
re domain potassium channels","Neurotransmitter receptors and postsynaptic signal transmission","TWIK related potassium channel (TREK)","GABA receptor activation","GABA B receptor activation","Activat
ion of GABAB receptors","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits"}

> <broad_targets>
{KCNH1,KCNH2,KCNJ12,KCNK2}

> <broad_moa>
{"potassium channel blocker"}

> <synonyms>
{Dofetilide,115256-11-6,115256116,Tikosyn,Dofetilida,Dofetilidum,"Dofetilidum (INN-Latin)","Dofetilidum (INNLatin)","Dofetilida (INN-Spanish)","Dofetilida (INNSpanish)","UK 68798","UK-68,798","UK68,79
8",UK-68798,UK68798,"Dofetilide (Tikosyn)",UNII-R4Z9X1N2ND,UNIIR4Z9X1N2ND,C19H27N3O5S2,CHEMBL473,R4Z9X1N2ND,CHEBI:4681,NCGC00164549-01,NCGC0016454901,DSSTo,T6476,SAM001246621,CPD000466333}

> <pdid>
PD003019

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{71329}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 S   0  0
   -2.5983   -3.0004    0.0000 N   0  0
   -3.8983   -0.7513    0.0000 O   0  0
   -3.8975   -2.2510    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  5  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
 13 16  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12626

> <plate>
PLATE 021

> <well>
H6

> <supplier_cmpd_name>
Dichlorphenamide

> <ctcr_id>
2246

> <supplier_cmpd_id>
T6469

> <smiles>
N[S](=O)(=O)c1cc(Cl)c(Cl)c(c1)[S](N)(=O)=O

> <pd_targets>
{CA12,CA6,CA1,CA2,CA5A,CA5B,CA9,CA4,CA7,CA14,CA15,MTCA2,CA13,MTCA1,NCE103,CYNT,LMNA,1272966,CA3}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Lyase}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases"}

> <pathway_reactome>
{Metabolism,"Immune System","Transport of small molecules","Cellular responses to external stimuli","Cell Cycle","Reversible hydration of carbon dioxide","Cytokine Signaling in Immune system","O2/CO2 
exchange in erythrocytes","Cellular responses to stress",Mitotic,"Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","M Phase","Interleu
kin-12 family signaling","Regulation of gene expression by Hypoxia-inducible Factor","Mitotic Metaphase and Anaphase","Interleukin-12 signaling","Mitotic Anaphase","Gene and protein expression by JAK-
STAT signaling after Interleukin-12 stimulation","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CA1,CA12,CA2,CA4,CA7}

> <broad_moa>
{"carbonic anhydrase inhibitor"}

> <synonyms>
{RESTW80,dichlorphenamide,Diclofenamide,120-97-8,120978,"4,5-dichlorobenzene-1,3-disulfonamide","4,5dichlorobenzene1,3disulfonamide",Dichlofenamide,Dichlorophenamide,Daranide,Antidrasi,Dichlorphenamid
,Glauconide,Glaucol,Oratrol,"1,3-Benzenedisulfonamide, 4,5-dichloro-","1,3Benzenedisulfonamide, 4,5dichloro",Diclofenamida,Diclofenamidu,T6469,Prestw-809,Dichlorphenamide}

> <pdid>
PD009781

> <targets>
{Carbonic Anhydrase}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
{3038}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    4.0559   -4.4171    0.0000 N   0  0
    4.8090   -5.7153    0.0000 C   0  0
    6.3090   -5.7153    0.0000 C   0  0
    7.0591   -7.0143    0.0000 C   0  0
    6.3092   -8.3134    0.0000 C   0  0
    4.8092   -8.3134    0.0000 C   0  0
    4.0591   -7.0144    0.0000 C   0  0
    7.0570   -9.6146    0.0000 C   0  0
    8.5570   -9.6172    0.0000 N   0  0
    6.3052  -10.9126    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2947    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -2.6009    2.9941    0.0000 C   0  0
   -2.5962    1.4933    0.0000 C   0  0
   -3.8931    0.7380    0.0000 C   0  0
   -5.1947    1.4836    0.0000 O   0  0
   -3.8885   -0.7620    0.0000 O   0  0
   -1.3069    5.2503    0.0000 C   0  0
   -0.0115    6.0065    0.0000 C   0  0
   -0.0188    7.5065    0.0000 C   0  0
   -1.3214    8.2503    0.0000 C   0  0
   -2.6168    7.4940    0.0000 C   0  0
   -2.6096    5.9940    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 12 14  2  0
  3 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  2  1  0
 21 16  1  0
 18 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 24 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12627

> <plate>
PLATE 021

> <well>
H7

> <supplier_cmpd_name>
Dabigatran

> <ctcr_id>
7484

> <supplier_cmpd_id>
T6295

> <smiles>
Cn1c(CNc2ccc(cc2)C(N)=N)nc3cc(ccc13)C(=O)N(CCC(O)=O)c4ccccn4

> <pd_targets>
{F2,PLG,NQO2,HPN,PLAT,PRSS1,PRSS2,PRSS3,F10,PROC,SLC47A2,SLC47A1,SLC22A2}

> <pathway_gtopdb>
{Enzyme,Transporter,Protease,Oxidoreductase,"Electrochemical transporter","Serine protease","SLC superfamily of solute carriers","Serine protease PA clan","SLC47 family of multidrug and toxin extrusio
n transporters","SLC22 family of organic cation and anion transporters","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Peptidases and proteinases","SLC superfamily of solute carriers","PA: Serine (S) Peptidases","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organi
c cation and anion transporters","S1: Chymotrypsin","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Disease,Hemostasis,Metabolism,"Signal Transduction","Metabolism of proteins","Transport of small molecules","Diseases of hemostasis","Platelet activation","signaling and aggregation","Biological oxid
ations","Signaling by Receptor Tyrosine Kinases","Post-translational protein modification","SLC-mediated transmembrane transport","Defects of contact activation system (CAS) and kallikrein/kinin syste
m (KKS)","Response to elevated platelet cytosolic Ca2+","Phase I - Functionalization of compounds","Signaling by MET","Signaling by PDGF","Gamma carboxylation","hypusine formation and arylsulfatase ac
tivation","Transport of bile salts and organic acids","metal ions and amine compounds","Defective factor VIII causes hemophilia A","Platelet degranulation","MET Receptor Activation","Defective factor 
IX causes hemophilia B",Gamma-carboxylation,transport,"and amino-terminal cleavage of proteins","Organic cation/anion/zwitterion transport","Defective F8 cleavage by thrombin","Defective F9 variant do
es not activate FX","Gamma-carboxylation of protein precursors","Organic cation transport"}

> <broad_targets>
{F2}

> <broad_moa>
{"thrombin inhibitor"}

> <synonyms>
{A815190,Dabigatran,211914-51-1,211914511,"BIBR 953",BIBR-953,BIBR953,CHEBI:70752,"BIBR 953 (Dabigatran, Pradaxa)",UNII-I0VM4M70GC,UNIII0VM4M70GC,I0VM4M70GC,"BIBR 953 ZW",CHEMBL48361,C25H25N7O3,121060
8-88-0,1210608880,Dabigatran-(13C6),Dabigatran(13C6),"Dabigatran-D3 solution","DabigatranD3 solution","Dabigatran (USAN/INN)",T6295,S2196,"Dabigatran Etexilate"}

> <pdid>
PD012976

> <targets>
{Thrombin}

> <classes>
{}

> <pubchem_cids>
{216210}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    1.1065    2.8606    0.0000 C   0  0
   -0.3930    2.8217    0.0000 C   0  0
   -1.1760    4.1011    0.0000 C   0  0
   -1.0947    1.4779    0.0000 N   0  3
    0.0000    0.6568    0.0000 C   0  0
   -0.6568   -0.6386    0.0000 C   0  0
   -1.8063   -1.3319    0.0000 C   0  0
   -0.8393    0.0000    0.0000 C   0  0
    0.9488    0.0000    0.0000 C   0  0
    1.8975   -0.8028    0.0000 C   0  0
    1.6421    0.6933    0.0000 C   0  0
    2.6654   -2.0798    0.0000 O   0  0
    4.1661   -2.0555    0.0000 C   0  0
    4.8945   -0.7443    0.0000 O   0  0
    4.9382   -3.3425    0.0000 C   0  0
    4.2067   -4.6529    0.0000 C   0  0
    2.7069   -4.6756    0.0000 O   0  0
    6.4389   -3.3181    0.0000 C   0  0
    7.2125   -4.6033    0.0000 C   0  0
    8.7123   -4.5759    0.0000 C   0  0
    9.4385   -3.2634    0.0000 C   0  0
    8.6649   -1.9783    0.0000 C   0  0
    7.1652   -2.0056    0.0000 C   0  0
   -2.5947    1.4650    0.0000 C   0  0
   11.9385   -0.2869    0.0000 Br  0  5
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  5  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 18  1  0
  4 24  1  0
M  CHG  2   4   1  25  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12628

> <plate>
PLATE 021

> <well>
H8

> <supplier_cmpd_name>
Ipratropium Bromide

> <ctcr_id>
3974

> <supplier_cmpd_id>
T6547

> <smiles>
CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]

> <pd_targets>
{CHRM1,CHRM3,CHRM2,CHRM5,CHRM4,KMT2A,MEN1,FFP}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator",Enzyme,"Family A G protein-coupled receptor",Reader,Transferase,"Small molecule receptor (family A GPCR)",Bromodomain,"Monoamine receptor","Acetylcholine re
ceptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{"ipratropium bromide",22254-24-6,22254246,Ipratropiumbromid,"Bromure d'ipratropium","Bromuro de ipratropio","Ipratropii bromidum","8-Isopropylnoratropine methobromide","8Isopropylnoratropine methobro
mide","N-Isopropylnoratropinium bromomethylate","NIsopropylnoratropinium bromomethylate","Sch 1000",MLS000069557,Atroven,1500354,"IPRATROPIUM BROMIDE"}

> <pdid>
PD002966

> <targets>
{}

> <classes>
{antiarrhythmic,bronchodilator}

> <pubchem_cids>
{657308}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 20  0  0  1  0            999 V2000
    7.9019   -0.6669    0.0000 C   0  0
    7.8843    0.8330    0.0000 O   0  0
    9.2106   -1.4016    0.0000 C   0  0
   10.5010   -0.6368    0.0000 C   0  0
    6.6108   -1.4321    0.0000 N   0  0
    5.3021   -0.6973    0.0000 C   0  0
    4.0197   -1.4569    0.0000 C   0  0  1  0  0  0
    2.5987   -1.5004    0.0000 C   0  0  1  0  0  0
    3.2676   -2.7548    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 C   0  0
    0.3114    2.9665    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  0
  1  5  1  0
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  0
  9  7  1  0
  8 10  1  1
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12629

> <plate>
PLATE 021

> <well>
H9

> <supplier_cmpd_name>
Tasimelteon

> <ctcr_id>
11252

> <supplier_cmpd_id>
T3495

> <smiles>
C(=O)(CC)NC[C@H]1[C@@H](C1)c1c2CCOc2ccc1

> <pd_targets>
{MTNR1A,MTNR1B}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine-derivative receptor (family A GPCR)","Melatonin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Melatonin receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (i) signalling events"}

> <broad_targets>
{MTNR1A,MTNR1B}

> <broad_moa>
{"melatonin receptor agonist"}

> <synonyms>
{Tasimelteon,609799-22-6,609799226,Hetlioz,VEC-162,VEC162,BMS-214778,BMS214778,"VEC 162","BMS 214778",UNII-SHS4PU80D9,UNIISHS4PU80D9,SHS4PU80D9,CHEBI:79042,"N-(((1R,2R)-2-(2,3-dihydrobenzofuran-4-yl)c
yclopropyl)methyl)propionamide","N(((1R,2R)2(2,3dihydrobenzofuran4yl)cyclopropyl)methyl)propionamide",N-(((1R,N(((1R,2R)-2-(2,2R)2(2,3-dihydro-1-benzofuran-4-y,3dihydro1benzofuran4y,T3495}

> <pdid>
PD009143

> <targets>
{Melatonin Receptor}

> <classes>
{GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{10220503}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  1  0            999 V2000
    7.7808  -10.5183    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    5.1830  -10.5134    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0  2  0  0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0  1  0  0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    1.2948   -3.7516    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8847   -8.2572    0.0000 C   0  0
    3.8794   -9.7572    0.0000 O   0  0
    2.5880   -7.5031    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  5 20  1  0
 20 21  1  0
 20 22  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12630

> <plate>
PLATE 021

> <well>
H10

> <supplier_cmpd_name>
Bestatin hydrochloride

> <ctcr_id>
728

> <supplier_cmpd_id>
T3529

> <smiles>
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O

> <pd_targets>
{ANPEP,LNPEP,LAP3,NPEPPS,LTA4H,MMP2,RNPEP,SLC15A2,LMNA,APEX1,PMP22,NPSR1,ERAP1,MAPT,GAA,LEF,BLM}

> <pathway_gtopdb>
{Enzyme,Transporter,"Other nuclear protein","Unclassified protein","Membrane receptor","Other cytosolic protein",Protease,"Electrochemical transporter","Family A G protein-coupled receptor",Hydrolase,
"Metallo protease","SLC superfamily of solute carriers","Peptide receptor (family A GPCR)","Metallo protease MAE clan","Metallo protease MF clan","Metallo protease MAM clan","Metallo protease MH clan"
,"SLC15 family of peptide transporters","Short peptide receptor (family A GPCR)","Metallo protease M1 family","Metallo protease M17 family","Metallo protease M10A subfamily","Metallo protease M28 fami
ly","Neuropeptide receptor","Metallo protease M34 family","Metallo protease M28A subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Peptidases and proteinases","SLC superfamily of solute carriers","G protein-coupled receptors","3.2.1.- Glycosidases","MA: Metallo (M) Peptidases","MF: Metallo (M) Pep
tidases","SLC15 family of peptide transporters","Neuropeptide S receptor","M1: Aminopeptidase N","M17: Leucyl aminopeptidase","M10: Matrix metallopeptidase"}

> <pathway_reactome>
{"Immune System",Metabolism,"Developmental Biology","Transport of small molecules","Cell Cycle","DNA Repair",Disease,"Neuronal System","Innate Immune System","Adaptive Immune System","Metabolism of li
pids","Nervous system development","SLC-mediated transmembrane transport",Mitotic,"Base Excision Repair","Infectious disease","Transmission across Chemical Synapses","Diseases of metabolism","Neutroph
il degranulation","Class I MHC mediated antigen processing & presentation","Biosynthesis of specialized proresolving mediators (SPMs)","Axon guidance","Transport of inorganic cations/anions and amino 
acids/oligopeptides","M Phase","Resolution of Abasic Sites (AP sites)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Leishmania infection","Neurotransmitter receptors and postsynap
tic signal transmission","Diseases of carbohydrate metabolism","Uptake and actions of bacterial toxins","Antigen processing-Cross presentation","Antigen processing: Ubiquitination & Proteasome degrada
tion","Biosynthesis of DHA-derived SPMs","EPH-Ephrin signaling","Proton/oligopeptide cotransporters","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacem
ent pathway","Leishmania parasite growth and survival","Antigen Presentation: Folding","assembly and peptide loading of class I MHC","Activation of NMDA receptors and postsynaptic events","Glycogen st
orage diseases","Uptake and function of anthrax toxins","Endosomal/Vacuolar pathway","Biosynthesis of aspirin-triggered D-series resolvins","EPH-ephrin mediated repulsion of cells","Mitotic Anaphase",
"PCNA-Dependent Long Patch Base Excision Repair","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Glycogen storage disease type II (GAA)","N
uclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation","DNA Double-Stran
d Break Repair","Homology Directed Repair","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Homologous DNA Pairing and Strand
 Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{LTA4H,RNPEP}

> <broad_moa>
{"leukotriene synthesis inhibitor"}

> <synonyms>
{BRD-K59574735-001-05-0,BRDK59574735001050,Q10909912,Bestatin,Ubenimex,58970-76-6,58970766,"(S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-4-methylpentanoic acid","(S)2((2S,3R)3amino2hydroxy4phe
nylbutanamido)4methylpentanoic acid","Ubenimex (Bestatin)",UNII-I0J33N5627,UNIII0J33N5627,"N-((2S,3R)-3-Amino-2-hydroxy-4-phenylbutyryl)-L-leucine","N((2S,3R)3Amino2hydroxy4phenylbutyryl)Lleucine",MFC
D00,T1257,T3529,SAM001246806,"Bestatin hydrochloride",CPD000059165}

> <pdid>
PD003128

> <targets>
{Aminopeptidase,Antibiotic,Bacterial}

> <classes>
{Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{72172,6992132}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 N   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  3  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12631

> <plate>
PLATE 021

> <well>
H11

> <supplier_cmpd_name>
(R)-baclofen

> <ctcr_id>
5856

> <supplier_cmpd_id>
T6355

> <smiles>
NCC(CC(O)=O)c1ccc(Cl)cc1

> <pd_targets>
{GABBR1,GABBR2,KCTD12,KCTD16,KCTD8,NFKB1,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,BLM,LMNA,CYP3A4,CYP2C9,CYP2D6,CYP2C19,CYP1A2,KMT2A,
MEN1,TSHR,THRB}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein","Ion channel",Enzyme,"Other nuclear protein","Family C G protein-coupled receptor","Ligand-gated ion channel","Cytochrome P450","Small molecule receptor 
(family C GPCR)","GABA-A receptor","Cytochrome P450 family 3","Neurotransmitter receptor (family C GPCR)","Cytochrome P450 family 3A","GABA-B receptor","Cytochrome P450 3A4","Cytochrome P450 family 2"
,"Cytochrome P450 family 1","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 2C9","Cytochrome P450 2D6","Cytochrome P450 2C19","Cytochrome P450 1A1"
,"Epigenetic regulator","Transcription factor",Reader,"Family A G protein-coupled receptor","Nuclear receptor",Bromodomain,"Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Gl
ycohormone receptor","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","GABA<sub>B</sub> receptors","CYP3 family","CYP2 family: drug metabolising subset","CYP1 family","Nuclear hormone receptors","Glycopr
otein hormone receptors","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{"Immune System","DNA Repair","Cell Cycle",Metabolism,"Neuronal System","Cytokine Signaling in Immune system","DNA Double-Strand Break Repair",Mitotic,"Metabolism of lipids","Transmission across Chemi
cal Synapses","Signaling by Interleukins","Homology Directed Repair","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmiss
ion","Interleukin-1 family signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","GABA receptor a
ctivation","Interleukin-1 signaling","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Biosynthesis of maresins","GABA B receptor activation","MAP3K8 (TPL2)-dependent MAPK1/3 activation
","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Activation of GABAB receptors","Presynaptic phase of homologous DNA pairing and s
trand exchange","Initiation of Nuclear Envelope (NE) Reformation","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Biological oxidations","Phase I - Functionalization of compound
s","Cytochrome P450 - arranged by substrate type",Xenobiotics,"CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2",Disease,"Metabolism of proteins","Infectious disease
","Post-translational protein modification","Leishmania infection",SUMOylation,"Leishmania parasite growth and survival","SUMO E3 ligases SUMOylate target proteins","Anti-inflammatory response favouri
ng Leishmania parasite infection","SUMOylation of intracellular receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{GABBR1,GABBR2,KCTD12,KCTD16,KCTD8}

> <broad_moa>
{"benzodiazepine receptor agonist"}

> <synonyms>
{RESTW8,baclofen,1134-47-0,1134470,Lioresal,"4-Amino-3-(4-chlorophenyl)butanoic acid","4Amino3(4chlorophenyl)butanoic acid",Baclon,DL-Baclofen,DLBaclofen,Kemstro,(+-)-Baclofen,(+)Baclofen,Gabalon,"4-A
mino-3-(4-chlorophenyl)butyric acid","4Amino3(4chlorophenyl)butyric acid",Baclofene,Baclofeno,Baclofenum,beta-(4-Chlorophenyl)gaba,beta(4Chlorophenyl)gaba,(RS)-BACLOFEN,(RS)BACLOFEN,"Ciba 34",647-B,64
7B,T1065,T6355,1500135,Prestw-85,Baclofen,(R)-baclofen,BACLOFEN,"Baclofen (R,S)"}

> <pdid>
PD002799

> <targets>
{}

> <classes>
{"muscle relaxant (skeletal)"}

> <pubchem_cids>
{2284}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12632

> <plate>
PLATE 022

> <well>
A2

> <supplier_cmpd_name>
Prilocaine

> <ctcr_id>
6257

> <supplier_cmpd_id>
T6953

> <smiles>
CCCNC(C)C(=O)Nc1ccccc1C

> <pd_targets>
{LMNA,GAA,HPGD,MAPT,SCN1A,SCN2A,SCN3A,SCN10A,SCN11A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,CYP1A2,CHRM1}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Other cytosolic protein","Ion channel","Membrane receptor",Hydrolase,"Voltage-gated ion channel","Cytochrome P450","Family A G protein-coupled receptor","Voltage-gated
 sodium channel","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 1A1","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"3.2.1.- Glycosidases","Eicosanoid turnover","Voltage-gated ion channels","Cytochrome P450","G protein-coupled receptors","Prostaglandin synthases","Voltage-gated sod
ium channels","CYP1 family","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Cell Cycle",Disease,Metabolism,"Neuronal System","Developmental Biology","Signal Transduction",Mitotic,"Diseases of metabolism","Metabolism of lipids","Transmission across Chemical Synapses","Nervou
s system development","Biological oxidations","Signaling by GPCR","M Phase","Diseases of carbohydrate metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptor
s and postsynaptic signal transmission","Axon guidance","Phase I - Functionalization of compounds","GPCR ligand binding","Mitotic Metaphase and Anaphase","Glycogen storage diseases","Biosynthesis of D
HA-derived SPMs","Activation of NMDA receptors and postsynaptic events","L1CAM interactions","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Mitotic Anaphase","G
lycogen storage disease type II (GAA)","Biosynthesis of D-series resolvins","Post NMDA receptor activation events","Interaction between L1 and Ankyrins",Xenobiotics,"Amine ligand-binding receptors","N
uclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors","Initiation of Nuclea
r Envelope (NE) Reformation"}

> <broad_targets>
{SCN5A}

> <broad_moa>
{"local anesthetic"}

> <synonyms>
{prilocaine,721-50-6,721506,Propitocaine,Citanest,"Propanamide, N-(2-methylphenyl)-2-(propylamino)-","Propanamide, N(2methylphenyl)2(propylamino)",N-(2-Methylphenyl)-2-(propylamino)propanamide,N(2Meth
ylphenyl)2(propylamino)propanamide,Prilocainum,"Astra 1515",o-Methyl-2-propylaminopropionanilide,oMethyl2propylaminopropionanilide,Prilocaina,"prilocaine base",2-(Propylamino)-o-p,2(Propylamino)op,T69
53,S1619,Prilocaine}

> <pdid>
PD009832

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{4906}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8977   -3.7504    0.0000 N   0  0
   -5.1981   -3.0025    0.0000 C   0  0
   -6.4959   -3.7546    0.0000 C   0  0
   -6.4935   -5.2546    0.0000 N   0  0
   -5.1933   -6.0025    0.0000 C   0  0
   -3.8955   -5.2505    0.0000 C   0  0
   -7.7905   -6.0097    0.0000 C   0  0
   -9.0921   -5.2641    0.0000 O   0  0
   -7.7860   -7.5106    0.0000 C   0  0
   -9.0812   -8.2672    0.0000 C   0  0
   -9.0737   -9.7672    0.0000 C   0  0
   -7.7708  -10.5106    0.0000 C   0  0
   -6.4756   -9.7541    0.0000 C   0  0
   -6.4832   -8.2541    0.0000 C   0  0
   -7.7602  -12.0114    0.0000 O   0  0
   -6.4563  -12.7530    0.0000 C   0  0
  -10.3712  -10.5215    0.0000 O   0  0
  -11.6729   -9.7762    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  1  1  0
 11  6  1  0
  8 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 15 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 22 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12633

> <plate>
PLATE 022

> <well>
A3

> <supplier_cmpd_name>
Vesnarinone

> <ctcr_id>
11253

> <supplier_cmpd_id>
T3465

> <smiles>
N1C(=O)CCc2cc(ccc12)N1CCN(CC1)C(=O)c1cc(c(cc1)OC)OC

> <pd_targets>
{PDE3A,PDE3B,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Phosphodiesterase,"Voltage-gated ion channel","Phosphodiesterase 3","Potassium channels","Phosphodiesterase 3A","Phosphodiesterase 3B","Voltage-gated potassium channel"}

> <pathway_chembl>
{Enzymes,"Ion channels","Cyclic nucleotide turnover/signalling","Voltage-gated ion channels",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Potassium channels","Voltage-gated potassium channels"
}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Cardiac conduction","GPCR downstream signalling","Signaling by Insulin receptor","Phase 3 - ra
pid repolarisation","G alpha (s) signalling events","Insulin receptor signalling cascade","IRS-mediated signalling","PI3K Cascade","PKB-mediated events","PDE3B signalling"}

> <broad_targets>
{KCNH2,PDE3A}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{vesnarinone,J-690354,J690354,Q7923264,"6-(4-(3,4-dimethoxybenzoyl)-1-piperazinyl)-3,4-dihydrocarbostyril","6(4(3,4dimethoxybenzoyl)1piperazinyl)3,4dihydrocarbostyril","BENZYL2-ACETAMIDO-4,6-O-BENZYLI
DENE-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE","BENZYL2ACETAMIDO4,6OBENZYLIDENE2DEOXYALPHADGLUCOPYRANOSIDE","3,4-Dihydro-6-(4-(3,4-dimethoxybenzoyl)-1-piperazinyl)-2-(1H)-quinolinone","3,4Dihydro6(4(3,4dimetho
xybenzoyl)1piperazinyl)2(1H)quinolinone",T3465,Vesnarinone}

> <pdid>
PD072338

> <targets>
{PDE}

> <classes>
{Metabolism}

> <pubchem_cids>
{5663}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 29  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2973   -2.2519    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2570    0.0000 O   0  0
    5.1937   -3.0093    0.0000 O   0  5
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 Cl  0  0
    7.6950   -2.2546    0.0000 C   0  0
    8.9943   -1.5050    0.0000 N   0  3
    8.9943   -0.0050    0.0000 C   0  0
    7.6954   -0.7548    0.0000 C   0  0
   10.2943   -2.2550    0.0000 C   0  0
   11.5943   -1.5050    0.0000 C   0  0
   12.8936   -2.2546    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
M  CHG  2   6  -1  24   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12634

> <plate>
PLATE 022

> <well>
A4

> <supplier_cmpd_name>
Choline Fenofibrate

> <ctcr_id>
11254

> <supplier_cmpd_id>
T3941

> <smiles>
CC(C)(C(=O)[O-])Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl.C[N+](C)(C)CCO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Choline Fenofibrate;ABT-335","Choline Fenofibrate;ABT335",CHEMBL1201745,"Choline fenofibrate",856676-23-8,856676238,Trilipix,UNII-4BMH7IZT98,UNII4BMH7IZT98,ABT-335,ABT335,4BMH7IZT98,"ABT 335","Choli
ne fenofibrate (ABT-335)","Choline fenofibrate (ABT335)","Fenofibrate de choline","Fenofibric acid choline salt","Choline feno",T3941,"Choline Fenofibrate"}

> <pdid>

> <targets>
{P450,PPAR,COX}

> <classes>
{Cell Cycle/DNA Damage,Metabolic Enzyme/Protease,Immunology/Inflammation}

> <pubchem_cids>
{11350701}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    3.2676   -2.7548    0.0000 C   0  0
    4.0197   -1.4569    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -4.9546    1.9903    0.0000 N   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.2500   -0.5923    0.0000 Br  0  0
   -1.6216    3.9790    0.0000 S   0  0
   -1.9268    5.4485    0.0000 C   0  0
   -0.8074    6.4483    0.0000 C   0  0
   -1.1124    7.9169    0.0000 O   0  0
    0.6171    5.9785    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  1  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  4  1  0
 13  8  1  0
  7 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 14  1  0
 18 19  1  0
 15 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12635

> <plate>
PLATE 022

> <well>
A5

> <supplier_cmpd_name>
Lesinurad

> <ctcr_id>
11255

> <supplier_cmpd_id>
T6875

> <smiles>
C1CC1c1ccc(c2ccccc12)n1c(nnc1Br)SCC(=O)O

> <pd_targets>
{CYP2C19,SLC22A12,CYP2C9,CYP1A2,CYP3A4,CYP2D6,SLC22A11}

> <pathway_gtopdb>
{Enzyme,Transporter,"Cytochrome P450","Electrochemical transporter","Cytochrome P450 family 2","SLC superfamily of solute carriers","Cytochrome P450 family 1","Cytochrome P450 family 3","Cytochrome P4
50 family 2C","SLC22 family of organic cation and anion transporters","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 2C19","Cytochrome P450 2C9","
Cytochrome P450 1A1","Cytochrome P450 3A4","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,Transporters,"Cytochrome P450","SLC superfamily of solute carriers","CYP2 family: drug metabolising subset","SLC22 family of organic cation and anion transporters","CYP1 family","CYP3 family"
,"Urate transporter","Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Biological oxidations","SLC-mediated transmembrane transport","Metabolism of lipids","Phase I - Functionalization of compounds","Transport of bile salts and
 organic acids","metal ions and amine compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Cytochrome P450 - arranged by substrate type","Organic cation/anion/zwitterion transport",
"Biosynthesis of DHA-derived SPMs",Xenobiotics,"Organic anion transport","Biosynthesis of maresins","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis 
of maresin-like SPMs"}

> <broad_targets>
{SLC22A12}

> <broad_moa>
{"uric acid diuretic"}

> <synonyms>
{LESINURAD,878672-00-5,878672005,RDEA594,"RDEA 594",Zurampic,RDEA-594,UNII-09ERP08I3W,UNII09ERP08I3W,"Lesinurad free acid",UNII-Q59CAT99RS,UNIIQ59CAT99RS,Q59CAT99RS,UNII-73WY698HZ7,UNII73WY698HZ7,09ER
P08I3W,73WY698HZ7,"878672-00-5 (free acid)","878672005 (free acid)",C17H14BrN3O2S,"Lesinurad (USAN:INN)",Lesurinad,T6875,Lesinurad}

> <pdid>
PD016170

> <targets>
{OAT1,OAT3}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{53465279}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
   10.3977    0.0159    0.0000 C   0  0
   11.6963    0.7681    0.0000 C   0  0
   12.9969    0.0208    0.0000 C   0  0
   12.9939    1.5206    0.0000 C   0  0
   11.6937    2.2681    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  3  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 13  1  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12636

> <plate>
PLATE 022

> <well>
A6

> <supplier_cmpd_name>
Terbinafine

> <ctcr_id>
4875

> <supplier_cmpd_id>
T6702

> <smiles>
CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12

> <pd_targets>
{SQLE,RORC,LMNA,SLC6A2,SIGMAR1,ADRA2A,CYP2D6,ERG1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other nuclear protein",Transporter,"Membrane receptor","Other cytosolic protein",Oxidoreductase,"Nuclear receptor","Electrochemical transporter","Family A G protein-cou
pled receptor","Cytochrome P450","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Nuclear hormone recep
tor subfamily 1 group F","SLC06 neurotransmitter transporter family","Monoamine receptor","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F member 3","Adrenergic receptor","Cyt
ochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Lanosterol biosynthesis pathway","Nuclear hormone receptors","SLC superfamily of solute carriers","Sigma receptors","G protein-coupled receptor
s","Cytochrome P450","1F. Retinoic acid-related orphans","SLC6 neurotransmitter transporter family",Adrenoceptors,"CYP2 family: drug metabolising subset","Monoamine transporter subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Cell Cycle",Disease,"Signal Transduction","Metabolism of lipids","RNA Polymerase II Transcription",Mitotic,"Disorders of transmembrane transporters","Inf
ectious disease","Signaling by GPCR","Biological oxidations","Metabolism of steroids","Generic Transcription Pathway","M Phase","SLC transporter disorders","SARS-CoV Infections","GPCR ligand binding",
"Phase I - Functionalization of compounds","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Defective SLC6A2 causes ort
hostatic intolerance (OI)","Potential therapeutics for SARS","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Activation of gene expression by SREBF (SREBP)","RUN
X3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Amine ligand-binding receptors",Xenobiotics,"Nuclear Envelope (NE) Reassembly",Adrenoceptors,"CYP2E1 reactions","Initiation of Nucl
ear Envelope (NE) Reformation"}

> <broad_targets>
{SQLE}

> <broad_moa>
{"fungal squalene epoxidase inhibitor"}

> <synonyms>
{Terbinex,"TDT 067","N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine","N,6,6trimethylN(naphthalen1ylmethyl)hept2en4yn1amine","N,6,6-trimethyl-N-(1-naphthalenylmethyl)-1-hept-2-en-4-yna
mine","N,6,6trimethylN(1naphthalenylmethyl)1hept2en4ynamine",CHEMBL3183524,HMS3655A06,HMS3744E09,AKOS030228651,MCULE-7200921281,MCULE7200921281,NCGC00159346-05,NCGC0015934605,AK307954,FT-0601,FT0601,T
1411,T6702,S1725,"Terbinafine hydrochloride",Terbinafine}

> <pdid>
PD009684

> <targets>
{Others,Antibiotic,Bacterial,Fungal}

> <classes>
{Others,Anti-infection}

> <pubchem_cids>
{5402}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    6.3902   -6.9976    0.0000 C   0  0
    7.3051   -5.8089    0.0000 O   0  0
    4.9025   -6.7990    0.0000 N   0  0
    3.9876   -7.9876    0.0000 C   0  0
    4.3298   -5.4117    0.0000 C   0  0
    2.8433   -5.2111    0.0000 C   0  0
    2.2738   -3.8234    0.0000 N   0  0
    3.1884   -2.6408    0.0000 C   0  0
    4.6773   -2.8370    0.0000 N   0  0
    5.2468   -4.2247    0.0000 C   0  0
    6.7333   -4.4253    0.0000 N   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 N   0  0
    3.1904    2.6376    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.1271    4.3729    0.0000 C   0  0
    6.5954    4.6799    0.0000 C   0  0
    7.5954    3.5619    0.0000 C   0  0
    7.1272    2.1369    0.0000 C   0  0
    5.6590    1.8298    0.0000 C   0  0
    4.1271    5.4909    0.0000 F   0  0
    1.9263   -6.3982    0.0000 N   0  0
    6.9629   -8.3848    0.0000 O   0  0
    8.4497   -8.5833    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 14 19  1  0
 19 20  1  0
 20 12  2  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 23 28  1  0
  6 29  1  0
  1 30  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12637

> <plate>
PLATE 022

> <well>
A7

> <supplier_cmpd_name>
Riociguat

> <ctcr_id>
11256

> <supplier_cmpd_id>
T6968

> <smiles>
C(=O)(N(C)c1c(nc(nc1N)c1c2c(nccc2)n(n1)Cc1c(cccc1)F)N)OC

> <pd_targets>
{GUCY1A2,GUCY1B1,GUCY1A1,GUCY1B2}

> <pathway_gtopdb>
{Enzyme,Lyase,"Guanylate cyclase","Soluble guanylate cyclase"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor guanylyl cyclase (RGC) family","Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase"}

> <pathway_reactome>
{Hemostasis,"Platelet homeostasis","Nitric oxide stimulates guanylate cyclase"}

> <broad_targets>
{GUCY1A2,GUCY1A3,GUCY1B2,GUCY1B3}

> <broad_moa>
{"guanylate cyclase stimulant"}

> <synonyms>
{"BAY 632521","Adempas (TN)",Riociguat,625115-55-1,625115551,Adempas,"BAY 63-2521","Riociguat (BAY 63-2521)","Riociguat (BAY 632521)",UNII-RU3FE2Y4XI,UNIIRU3FE2Y4XI,RU3FE2Y4XI,BAY-63-2521,BAY632521,CH
EBI:76018,riociguatum,Riociguate,"Riociguat (USAN:INN:JAN)",Riocguat-d3,Riocguatd3,"Bay 63-2521,Riociguat","Bay 632521,Riociguat",T6968}

> <pdid>
PD009166

> <targets>
{"Guanylate cyclase"}

> <classes>
{Others}

> <pubchem_cids>
{11304743}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 45  0  0  1  0            999 V2000
    9.0869   -3.7606    0.0000 C   0  0
    9.0873   -5.2606    0.0000 S   0  0
   10.3868   -6.0098    0.0000 O   0  0
   10.3860   -4.5100    0.0000 O   0  0
    7.7876   -6.0110    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0  1  0  0  0
    5.1929   -3.0062    0.0000 C   0  0
    5.1933   -1.5062    0.0000 O   0  0
    6.4919   -3.7562    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   -5.1984    1.4977    0.0000 C   0  0
   -5.2011    2.9977    0.0000 O   0  0
   -6.4971    0.7454    0.0000 C   0  0
   -7.7988    1.4909    0.0000 C   0  0
   -9.0952    0.7364    0.0000 C   0  0
   -9.0900   -0.7636    0.0000 C   0  0
   -7.7884   -1.5091    0.0000 C   0  0
   -6.4920   -0.7546    0.0000 C   0  0
  -10.5142   -1.2321    0.0000 C   0  0
  -11.4000   -0.0216    0.0000 C   0  0
  -10.5226    1.1950    0.0000 O   0  0
    2.5981    1.5000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 27 28  2  0
 28 19  1  0
 28 29  1  0
 24 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
 35 38  1  0
 38 39  2  0
 39 40  1  0
 40 34  1  0
 20 41  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12638

> <plate>
PLATE 022

> <well>
A8

> <supplier_cmpd_name>
Lifitegrast

> <ctcr_id>
11257

> <supplier_cmpd_id>
T3977

> <smiles>
CS(=O)(=O)c1cccc(c1)C[C@@H](C(=O)O)NC(=O)c1c(cc2CN(CCc2c1Cl)C(=O)c1cc2c(cc1)cco2)Cl

> <pd_targets>
{CYP2C9,ICAM1,ITGAL,ITGB2}

> <pathway_gtopdb>
{Enzyme,Adhesion,"Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 2C","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Catalytic receptors","CYP2 family: drug metabolising subset",Integrins}

> <pathway_reactome>
{Metabolism,"Immune System","Gene expression (Transcription)","Biological oxidations","Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Phase I - Functionalization of compounds"
,"Interferon Signaling","Generic Transcription Pathway","Cytochrome P450 - arranged by substrate type","Interferon gamma signaling","Transcriptional regulation by RUNX3",Xenobiotics,"RUNX3 Regulates I
mmune Response and Cell Migration","CYP2E1 reactions"}

> <broad_targets>
{}

> <broad_moa>
{"lymphocyte function-associated antigen negative modulator"}

> <synonyms>
{Lifitegrast,1025967-78-5,1025967785,Xiidra,"SAR 1118",SAR-1118,SAR1118,SHP606,UNII-038E5L962W,UNII038E5L962W,CHEMBL2048028,SHP-606,038E5L962W,SAR-1118-023,SAR1118023,"Lifitegrast (USAN:INN)","Xiidra 
(TN)","Lifitegrast (USAN/INN)","Lifitegrast; SAR 1118","Lifitegrast ophthalmic so",T3977}

> <pdid>
PD047905

> <targets>
{LFA-1}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{11965427}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1984   -5.9978    0.0000 C   0  0
   -5.2010   -7.4978    0.0000 O   0  0
   -6.4971   -5.2455    0.0000 N   0  0
   -7.7984   -5.9933    0.0000 C   0  0
   -9.0971   -5.2410    0.0000 C   0  0
   -9.0919   -3.7410    0.0000 C   0  0
  -10.3884   -2.9865    0.0000 C   0  0
  -11.6900   -3.7320    0.0000 C   0  0
  -12.9865   -2.9775    0.0000 F   0  0
  -11.6952   -5.2320    0.0000 C   0  0
  -10.3987   -5.9865    0.0000 C   0  0
  -10.4040   -7.4865    0.0000 F   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 O   0  0
   -1.2990   -5.2500    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -6.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
 10 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  3
 26  8  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29  2  1  0
 29  6  1  0
 25 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12639

> <plate>
PLATE 022

> <well>
A9

> <supplier_cmpd_name>
Dolutegravir

> <ctcr_id>
7592

> <supplier_cmpd_id>
T6198

> <smiles>
CC1CCOC2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O

> <pd_targets>
{ABCG2,CYP3A4,SIGMAR1,TMEM97,POL,SLC22A2,SLC18A3}

> <pathway_gtopdb>
{Enzyme,Transporter,"Membrane receptor","Unclassified protein",Hydrolase,"Primary active transporter","Cytochrome P450","Electrochemical transporter","ATP-binding cassette","Cytochrome P450 family 3",
"SLC superfamily of solute carriers","ABCG subfamily","Cytochrome P450 family 3A","SLC22 family of organic cation and anion transporters","SLC18 family of vesicular amine transporters","Cytochrome P45
0 3A4"}

> <pathway_chembl>
{Transporters,Enzymes,"Other protein targets","ATP-binding cassette transporter family","Cytochrome P450","Sigma receptors","SLC superfamily of solute carriers","ABCG subfamily","CYP3 family","SLC22 f
amily of organic cation and anion transporters","SLC18 family of vesicular amine transporters","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,Disease,"Transport of small molecules","Neuronal System","Abacavir transport and metabolism","Metabolism of lipids","Infectious disease","SLC-mediated transmembrane transport","Transmissio
n across Chemical Synapses","Abacavir transmembrane transport","Biosynthesis of specialized proresolving mediators (SPMs)","SARS-CoV Infections","Transport of bile salts and organic acids","metal ions
 and amine compounds","Neurotransmitter release cycle","Biosynthesis of DHA-derived SPMs","Potential therapeutics for SARS","Organic cation/anion/zwitterion transport","Acetylcholine Neurotransmitter 
Release Cycle","Biosynthesis of maresins","Organic cation transport","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{CYP3A4,CYP3A5,CYP3A7,POU2F2,UGT1A1}

> <broad_moa>
{"HIV integrase inhibitor"}

> <synonyms>
{FGD6SPP2VH,UNII-FGD6SPP2VH,UNIIFGD6SPP2VH,"Dolutegravir S,S-isomer","Dolutegravir S,Sisomer",CHEMBL4303416,SCHEMBL16440366,ZINC147965934,SW219312-1,SW2193121,1357289-37-2,1357289372,T6198,S2667,Dolut
egravir,"Dolutegravir (GSK1349572)"}

> <pdid>
PD009167

> <targets>
{Integrase}

> <classes>
{}

> <pubchem_cids>
{117853645}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 34  0  0  1  0            999 V2000
   13.5422   -0.2095    0.0000 Cl  0  0
    0.3470    3.9090    0.0000 C   0  0
    1.8104    3.5799    0.0000 C   0  0
    2.2582    2.1474    0.0000 O   0  0
    3.7225    1.8180    0.0000 C   0  0
    4.7389    2.9212    0.0000 O   0  0
    4.1703    0.3856    0.0000 C   0  0  2  0  0  0
    5.6342    0.0546    0.0000 C   0  0
    6.6534    1.1562    0.0000 C   0  0
    8.1173    0.8252    0.0000 C   0  0
    9.1376    1.9248    0.0000 C   0  0
   10.6000    1.5910    0.0000 C   0  0
   11.0422    0.1577    0.0000 C   0  0
   10.0219   -0.9419    0.0000 C   0  0
    8.5595   -0.6081    0.0000 C   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0  1  0  0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 S   0  0
   -1.3515    1.0777    0.0000 C   0  0  1  0  0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
   -1.4048   -2.9100    0.0000 C   0  0
   -2.9016   -3.0201    0.0000 C   0  0
   -3.7444   -1.7793    0.0000 O   0  0
   -3.5552   -4.3702    0.0000 O   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.4008   -2.9088    0.0000 O   0  0
   -2.5248    2.0134    0.0000 C   0  0
   -3.9335    1.5249    0.0000 S   0  0
   -4.8253    2.7310    0.0000 C   0  0
   -3.9538    3.9519    0.0000 C   0  0
   -2.5234    3.5003    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  7 16  1  0
 17 16  1  6
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 22 27  1  0
 27 17  1  0
 27 28  2  0
 20 29  1  1
 29 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12640

> <plate>
PLATE 022

> <well>
A10

> <supplier_cmpd_name>
Temocapril HCl

> <ctcr_id>
7165

> <supplier_cmpd_id>
T6698

> <smiles>
Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CS[C@@H](CN(CC(O)=O)C2=O)c3sccc3

> <pd_targets>
{ACE}

> <pathway_gtopdb>
{Enzyme,Protease,"Metallo protease","Metallo protease MAE clan","Metallo protease M2 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","MA: Metallo (M) Peptidases","M2: Angiotensin-converting  (ACE and ACE2)"}

> <pathway_reactome>
{"Metabolism of proteins","Peptide hormone metabolism","Metabolism of Angiotensinogen to Angiotensins"}

> <broad_targets>
{ACE}

> <broad_moa>
{"angiotensin converting enzyme inhibitor"}

> <synonyms>
{110221-44-8,110221448,"110221 44 8","Temocapril HCl",CS-622,CS622,"CS 622","Temocapril (hydrochloride)",UNII-8G820I95VP,UNII8G820I95VP,"UNII 8G820I95VP",8G820I95VP,NCGC00181345-01,NCGC0018134501,"NCG
C00181345 01",Acecol,DSSTox_CID_26914,DSSToxCID26914,DSSTox-CID-26914,"DSSTox CID 26914",DSSTox_RID_82012,DSSToxRID82012,DSSTox-RID-82012,"DSSTox RID 82012",DSSTox_GSID_46914,DSSToxGSID46914,DSSTox-GS
ID-46914,"DSSTox GSID 46914","Acecol (TN)",CAS-110221-44-8,CAS110221448,"CAS 110221 44 8","Temocapril hydr",T6698,S2099}

> <pdid>
PD013810

> <targets>
{RAAS}

> <classes>
{}

> <pubchem_cids>
{443873}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    9.9701    3.5733    0.0000 H   0  3
    7.4701    3.5733    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5497    4.4223    0.0000 C   0  0
   -1.7974    5.7210    0.0000 C   0  0
   -2.5428    7.0227    0.0000 C   0  0
   -1.7883    8.3192    0.0000 C   0  0
   -0.2883    8.3139    0.0000 N   0  0
    0.4571    7.0123    0.0000 C   0  0
   -0.2974    5.7159    0.0000 C   0  0
    0.4693    9.6095    0.0000 C   0  0
    1.9701    9.6022    0.0000 C   0  0
    2.7291   10.8960    0.0000 C   0  0
    4.2291   10.8856    0.0000 C   0  0
    4.9701    9.5814    0.0000 C   0  0
    4.2111    8.2876    0.0000 C   0  0
    2.7111    8.2980    0.0000 C   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -3.8805    1.4409    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
  9 24  1  0
 24 25  2  0
 24 26  1  0
 26  7  2  0
 26 27  1  0
 27 28  2  0
 28  5  1  0
 28 29  1  0
 29 30  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12641

> <plate>
PLATE 022

> <well>
A11

> <supplier_cmpd_name>
Donepezil HCl

> <ctcr_id>
472

> <supplier_cmpd_id>
T6478

> <smiles>
[H+].[Cl-].COc1cc2CC(CC3CCN(CC3)Cc4ccccc4)C(=O)c2cc1OC

> <pd_targets>
{ACHE,BCHE,CHAT,BACE1,SIGMAR1,MAOB,CYP3A4,KCNH2,HRH3,KDM4E,ABCB11,ABCC4,ABCB1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,HTR2A,NOS1,TNFAIP6,IL1B,NFKB1,NFKB2,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel","Epigenetic regulator",Transporter,"Secreted protein",Hydrolase,Transferase,Protease,Oxidoreductase,"Cytochrome P450","Voltage-gated ion channel","Family A G 
protein-coupled receptor",Eraser,"Primary active transporter","Ligand-gated ion channel","Aspartic protease","Cytochrome P450 family 3","Potassium channels","Small molecule receptor (family A GPCR)","
Lysine demethylase","ATP-binding cassette","Voltage-gated calcium channel","Ionotropic glutamate receptor","Aspartic protease AA clan","Cytochrome P450 family 3A","Voltage-gated potassium channel","Mo
noamine receptor","Jumonji domain-containing","ABCB subfamily","ABCC subfamily","NMDA receptor","Aspartic protease A1A subfamily","Cytochrome P450 3A4","Histamine receptor","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Ion channels",Receptors,Transporters,"Acetylcholine turnover","Peptidases and proteinases","Sigma receptors","Catecholamine turnover","Cytochrome P450","Voltage-gated
 ion channels","G protein-coupled receptors","Chromatin modifying enzymes","ATP-binding cassette transporter family","L-Arginine turnover","AA: Aspartic (A) Peptidases","CYP3 family","Potassium channe
ls","Histamine receptors","1.14.11.- Histone demethylases","ABCB subfamily","ABCC subfamily","5-Hydroxytryptamine receptors","Nitric oxide synthases","A1: Pepsin","Voltage-gated potassium channels"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins",Disease,"Muscle contraction","Signal Transduction",Hemostasis,"Immune System","Metabolism of lipids","Amyloid fiber formation","Infectious disease","Biological oxi
dations","Cardiac conduction","Signaling by GPCR","Platelet activation","signaling and aggregation","Abacavir transport and metabolism","Platelet homeostasis","Innate Immune System","Phospholipid meta
bolism","SARS-CoV Infections","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Phase 3 - rapid repolarisation","GPCR ligand binding","Metabolism 
of steroids","Response to elevated platelet cytosolic Ca2+","Abacavir transmembrane transport","Nitric oxide stimulates guanylate cyclase","Neutrophil degranulation","Leishmania infection","Glyceropho
spholipid biosynthesis","Potential therapeutics for SARS","Amine Oxidase reactions","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Plat
elet degranulation","Cell recruitment (pro-inflammatory response)","Synthesis of PC","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Biosynthesis of maresins","Amine ligand
-binding receptors","Synthesis of bile acids and bile salts","Purinergic signaling in leishmaniasis infection","Biosynthesis of maresin-like SPMs","Histamine receptors","Synthesis of bile acids and bi
le salts via 7alpha-hydroxycholesterol","Serotonin receptors"}

> <broad_targets>
{ACHE}

> <broad_moa>
{"acetylcholinesterase inhibitor"}

> <synonyms>
{"Donepezil hydrochloride",120011-70-3,120011703,"Donepezil HCl",Aricept,BNAG,110119-84-1,110119841,E-2020,E2020,"Aricept ODT","E 2020",donepezilhcl,"Donepezil (Hydrochloride)","Donepezil, HCl",C24H30
ClNO3,CHEMBL1678,"120011-70-3 (HCl)","120011703 (HCl)",E2020;E-2020,E2020;E2020,DSSTox_CID_26,DSSToxCID26,DSSTox-CID-26,"DSSTox CID 26",T6478,T7041,SAM001246627,1504403,Donepezil,CPD000449292,"DONEPEZ
IL HYDROCHLORIDE"}

> <pdid>
PD005540

> <targets>
{}

> <classes>
{"acetylcholinesterase inhibitor (reversible)","cognitive enhancer"}

> <pubchem_cids>
{10916711,5741,44263804}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 60 59  0  0  0  0            999 V2000
    9.0755  -14.2726    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7601    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 S   0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -5.1996    1.4928    0.0000 O   0  0
   -5.1966   -0.0070    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   25.8534  -14.2726    0.0000 C   0  0
   25.8556  -12.7726    0.0000 C   0  0
   24.5573  -12.0195    0.0000 C   0  0
   24.5595  -10.5187    0.0000 C   0  0
   23.2613   -9.7656    0.0000 C   0  0
   23.2634   -8.2648    0.0000 C   0  0
   21.9652   -7.5117    0.0000 C   0  0
   21.9673   -6.0109    0.0000 N   0  0
   23.2669   -5.2601    0.0000 C   0  0
   23.2673   -3.7601    0.0000 C   0  0
   20.6691   -5.2578    0.0000 C   0  0
   20.6713   -3.7570    0.0000 C   0  0
   19.3731   -3.0039    0.0000 C   0  0
   19.3752   -1.5031    0.0000 C   0  0
   20.6755   -0.7553    0.0000 O   0  0
   18.0770   -0.7500    0.0000 C   0  0
   18.0770    0.7500    0.0000 C   0  0
   16.7779    1.5000    0.0000 C   0  0
   15.4789    0.7500    0.0000 C   0  0
   14.1776    1.4977    0.0000 N   0  0
   12.8789    0.7455    0.0000 S   0  0
   12.8815   -0.7545    0.0000 C   0  0
   11.5783    1.4928    0.0000 O   0  0
   11.5813   -0.0070    0.0000 O   0  0
   15.4789   -0.7500    0.0000 C   0  0
   16.7779   -1.5000    0.0000 C   0  0
   29.6555   -4.5117    0.0000 O   0  0
   29.6555   -6.0117    0.0000 C   0  0
   28.3563   -6.7613    0.0000 O   0  0
   30.9555   -6.7617    0.0000 C   0  0
   32.2555   -6.0117    0.0000 C   0  0
   33.5555   -6.7617    0.0000 C   0  0
   33.5555   -8.2617    0.0000 O   0  0
   34.8548   -6.0121    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 21 24  2  0
 19 25  1  0
 25 26  2  0
 26 16  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 34 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 47 49  2  0
 47 50  2  0
 45 51  1  0
 51 52  2  0
 52 42  1  0
 53 54  1  0
 54 55  2  0
 54 56  1  0
 56 57  2  0
 57 58  1  0
 58 59  1  0
 58 60  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12642

> <plate>
PLATE 022

> <well>
B2

> <supplier_cmpd_name>
Ibutilide Fumarate

> <ctcr_id>
4332

> <supplier_cmpd_id>
T6541

> <smiles>
CCCCCCCN(CC)CCCC(O)c1ccc(N[S](C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c2ccc(N[S](C)(=O)=O)cc2.OC(=O)\C=C\C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW150,"Ibutilide hemifumarate","IBUTILIDE FUMARATE",122647-32-9,122647329,Corvert,"Ibutilide hemifumarate salt",U-70226E,U70226E,MFCD01715410,"Ibutilide Fumarate (USAN)",NCGC00181771-01,NCGC001817
7101,"U 70226E","HSDB 7926","Corvert (TN)",1807940-66-4,1807940664,"Ibutilide fumarate (USP)",DSS,T6541,Prestw-1508,"Ibutilide Fumarate","Ibutilide fumarate"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{24820163,5281065}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 46 48  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -3.9027    2.2457    0.0000 C   0  0
   -5.2029    2.9932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -7.8029    2.9887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -14.2993    0.7296    0.0000 C   0  0
  -15.5984    1.4796    0.0000 C   0  0
  -15.5984    2.9796    0.0000 C   0  0
  -14.2994    3.7296    0.0000 C   0  0
  -13.0004    2.9796    0.0000 C   0  0
  -11.6963   -0.7689    0.0000 C   0  0
  -12.9931   -1.5231    0.0000 C   0  0
  -12.9884   -3.0231    0.0000 C   0  0
  -11.6870   -3.7690    0.0000 C   0  0
  -10.3903   -3.0150    0.0000 C   0  0
  -10.3950   -1.5150    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
    2.5925    6.0081    0.0000 N   0  3
    2.5879    7.5081    0.0000 O   0  0
    3.8940    5.2624    0.0000 O   0  5
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 O   0  0
    3.8926    3.7566    0.0000 C   0  0
    6.3982    1.8699    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  2  1  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 20 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
  4 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 35 39  1  0
 39 40  2  0
 39 41  1  0
  3 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
M  CHG  2  39   1  41  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12643

> <plate>
PLATE 022

> <well>
B3

> <supplier_cmpd_name>
Lercanidipine hydrochloride

> <ctcr_id>
11258

> <supplier_cmpd_id>
T6874

> <smiles>
CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(c1ccccc1)c1ccccc1)c1cc(ccc1)[N+](=O)[O-])C(=O)OC.Cl

> <pd_targets>
{RORC,MTOR,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNG1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Ion channel","Nuclear receptor",Kinase,"Voltage-gated ion channel","Nuclear hormone receptor subfamily 1","Protein Kinase","Voltage-gated calcium channel","Nuclear horm
one receptor subfamily 1 group F","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"
}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","1F. Retinoic acid-related orphans",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","RUNX3 Regulates Immune 
Response and Cell Migration","Regulation of TP53 Activity","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{CACNA2D1}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"Lercanidipine hydrochloride",132866-11-6,132866116,"Lercanidipine HCl",Cardiovasc,Corifeo,Carmen,Lercadip,Lerzam,Lercan,"Lercanidipine (hydrochloride)","Lercanidipine hydrochloride hemihydrate",Rec-
15/2375,Rec15/2375,Lercapin,Lercaton,Lerkamen,R,T6874}

> <pdid>
PD009976

> <targets>
{"Calcium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{157917}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  1  0            999 V2000
    1.8177  -11.3743    0.0000 C   0  0
    2.4298  -10.0049    0.0000 C   0  0
    1.5502   -8.7888    0.0000 C   0  0
    2.1626   -7.4186    0.0000 C   0  0
    1.2830   -6.2026    0.0000 C   0  0
   -0.2091   -6.3568    0.0000 F   0  0
    0.6702   -7.5718    0.0000 F   0  0
    1.8954   -4.8324    0.0000 C   0  0
    3.3874   -4.6783    0.0000 O   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 C   0  0  2  0  0  0
    2.6401    0.8578    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -2.6401    0.8578    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -3.1255   -2.0835    0.0000 C   0  0
   -4.0102   -3.2959    0.0000 C   0  0
   -5.5026   -3.1369    0.0000 C   0  0
   -6.3873   -4.3492    0.0000 C   0  0
   -7.8796   -4.1902    0.0000 C   0  0
   -8.7643   -5.4026    0.0000 C   0  0
   -8.1566   -6.7740    0.0000 O   0  0
  -10.2559   -5.2436    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 12  1  0
 18 19  1  1
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12644

> <plate>
PLATE 022

> <well>
B4

> <supplier_cmpd_name>
Lubiprostone

> <ctcr_id>
7146

> <supplier_cmpd_id>
T6307

> <smiles>
CCCCC(F)(F)C(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CLCN2}

> <broad_moa>
{"chloride channel activator"}

> <synonyms>
{PI021,"Prostan-1-oic acid, 16,16-difluoro-11-hydroxy-9,15-dioxo-, (11a)-","Prostan1oic acid, 16,16difluoro11hydroxy9,15dioxo, (11a)","Prostan-1-oic acid, 16,16-difluoro-11-hydroxy-9,15-dioxo-, (11alp
ha)-","Prostan1oic acid, 16,16difluoro11hydroxy9,15dioxo, (11alpha)",SCHEMBL439274,CHEMBL4303143,AMY30092,HY-B0679,HYB0679,s1675,ZINC35644915,CCG-268532,CCG268532,AS-71871,AS71871,BRD-K33814251-001-02
-,BRDK3381425100102,S1675,Lubiprostone}

> <pdid>
PD021597

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{9800568}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    7.2951   -5.3602    0.0000 Na  0  3
    2.5490  -12.2198    0.0000 C   0  0
    1.7972  -10.9218    0.0000 O   0  0
    2.5450   -9.6205    0.0000 C   0  0
    4.0450   -9.6205    0.0000 C   0  0
    4.7951   -8.3215    0.0000 C   0  0
    4.0452   -7.0225    0.0000 N   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5497   -4.4224    0.0000 S   0  0
    4.0497   -4.4250    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  5
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 F   0  0
   -3.8964   -0.7545    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.7951   -8.3214    0.0000 C   0  0
    0.2943   -8.3245    0.0000 O   0  0
   -0.4539   -9.6246    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 17 22  1  0
 22 23  2  0
 23 14  1  0
 23 24  1  0
 24 12  2  0
  8 25  2  0
 25  4  1  0
 25 26  1  0
 26 27  1  0
M  CHG  2   1   1  13  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12645

> <plate>
PLATE 022

> <well>
B5

> <supplier_cmpd_name>
Pantoprazole sodium

> <ctcr_id>
5093

> <supplier_cmpd_id>
T6929

> <smiles>
[Na+].COc1ccnc(C[S](=O)c2[n-]c3ccc(OC(F)F)cc3n2)c1OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Pantoprazole (sodium)",Pantoloc,Protonix,Pantecta,Zurcal,138786-67-1,138786671,"Protonix I.V.","BY1023 (sodium); SKF96022 (sodium)",Controloc,"Protonix DR","Protonix IV","PANTOPRAZOLE SODIUM SALT","
Pantoprazole sodium sesquihydrate","Protonix delayed-","Protonix delayed",T6929,T0161,SAM001246591,"Pantoprazole sodium","Pantoprazole Sodium Hydrate",CPD000469592}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23713799,15008962}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -6.4971    0.7454    0.0000 C   0  0
   -6.4914   -0.7554    0.0000 C   0  0
   -5.1893   -1.5017    0.0000 C   0  0
   -3.8879   -2.2475    0.0000 C   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -9.0975    0.7432    0.0000 C   0  0
  -10.3966    1.4932    0.0000 C   0  0
  -10.3966    2.9932    0.0000 C   0  0
   -9.0976    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
  -11.6948    3.7462    0.0000 C   0  0
  -12.9952    2.9984    0.0000 O   0  0
  -11.6927    5.2470    0.0000 N   0  0
  -12.9910    6.0001    0.0000 C   0  0  1  0  0  0
  -12.9889    7.5009    0.0000 C   0  0
  -14.2871    8.2539    0.0000 C   0  0
  -14.2850    9.7548    0.0000 C   0  0
  -12.9847   10.5025    0.0000 O   0  0
  -15.5825   10.5074    0.0000 O   0  0
  -14.2936    5.2546    0.0000 C   0  0
  -14.2987    3.7546    0.0000 O   0  0
  -15.5902    6.0086    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  3  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 23 22  1  6
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 23 29  1  0
 29 30  1  0
 29 31  2  0
  8 32  1  0
 32 33  2  0
 33 34  1  0
 34  6  1  0
 34 35  2  0
 35  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12646

> <plate>
PLATE 022

> <well>
B6

> <supplier_cmpd_name>
Pralatrexate

> <ctcr_id>
1418

> <supplier_cmpd_id>
T6120

> <smiles>
Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1

> <pd_targets>
{DHFR,FOLR1,SLC19A1,SLC46A1,TYMS}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Transporter,Oxidoreductase,"Electrochemical transporter",Transferase,"SLC superfamily of solute carriers","SLC19 family of vitamin transporters","SLC46 family of folate tra
nsporters"}

> <pathway_chembl>
{Enzymes,Transporters,"1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","2.1.1.- Methyltransferases","SLC19 family of vitamin transporters","SLC46 family of folate transporters"}

> <pathway_reactome>
{"Cell Cycle","Metabolism of proteins",Metabolism,Mitotic,"Post-translational protein modification","Metabolism of vitamins and cofactors","Mitotic G1 phase and G1/S transition","Asparagine N-linked g
lycosylation","Metabolism of water-soluble vitamins and cofactors","G1/S Transition","Transport to the Golgi and subsequent modification","Metabolism of folate and pterines","G1/S-Specific Transcripti
on","ER to Golgi Anterograde Transport","Cargo concentration in the ER"}

> <broad_targets>
{DHFR}

> <broad_moa>
{"dihydrofolate reductase inhibitor"}

> <synonyms>
{Pralatrexate,146464-95-1,146464951,Folotyn,10-Propargyl-10-deazaaminopterin,10Propargyl10deazaaminopterin,Pralatrexate(Folotyn),"HSDB 7786",PDX,CHEBI:71223,"146464-95-1 (racemic)","146464951 (racemic
)",NCGC00242596-01,NCGC0024259601,"N-(4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoyl)-L-glutamic acid","N(4(1(2,4diaminopteridin6yl)pent4yn2yl)benzoyl)Lglutamic acid","Folotyn (",T6120,754230,"
NSC 754230",pralatrexate}

> <pdid>
PD004103

> <targets>
{Antifolate,Apoptosis}

> <classes>
{Anti-metabolite,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{148121}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 36  0  0  1  0            999 V2000
    1.4157   -5.0351    0.0000 C   0  0
    1.8059   -3.5867    0.0000 C   0  0  1  0  0  0
    3.2554   -3.2009    0.0000 O   0  0
    0.7500   -2.5287    0.0000 C   0  0  2  0  0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 C   0  0  1  0  0  0
    2.6401    0.8578    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -0.7500   -2.5287    0.0000 C   0  0
   -1.8107   -3.5893    0.0000 O   0  0
   -2.6375    0.8602    0.0000 C   0  0
   -2.9458    2.3282    0.0000 O   0  0
   -3.7555   -0.1410    0.0000 O   0  0
   -5.1819    0.3258    0.0000 C   0  0
   -6.3000   -0.6755    0.0000 O   0  0
   -7.7264   -0.2087    0.0000 C   0  0
   -8.0347    1.2592    0.0000 O   0  0
   -8.8444   -1.2099    0.0000 C   0  0
  -10.2701   -0.7435    0.0000 C   0  0
   -8.5361   -2.6779    0.0000 C   0  0
   -9.9614   -2.2111    0.0000 C   0  0
   -0.0031    2.7742    0.0000 S   0  0
   -1.3040    3.5228    0.0000 C   0  0
   -1.6525    4.9446    0.0000 C   0  0
   -3.1000    4.5512    0.0000 N   0  0
   -2.7066    3.1037    0.0000 C   0  0
   -4.4023    5.2970    0.0000 C   0  0
   -4.8225    6.7122    0.0000 N   0  0
   -6.3224    6.7320    0.0000 C   0  0
   -6.8047    5.3117    0.0000 C   0  0
   -5.6030    4.4141    0.0000 S   0  0
  2  1  1  6
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  2  3
  9 10  1  0
  5 10  1  6
 10 11  1  0
  4 11  1  1
 11 12  2  0
  9 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
  8 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 25  1  0
 27 29  1  0
 29 30  2  3
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12647

> <plate>
PLATE 022

> <well>
B7

> <supplier_cmpd_name>
Tebipenem Pivoxil

> <ctcr_id>
7426

> <supplier_cmpd_id>
T6231

> <smiles>
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)SC3CN(C3)C4=NCCS4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CNR1}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{"Tebipenem pivoxil",161715-24-8,161715248,Orapenem,TBPM-PI,TBPMPI,L-084,L084,ME1211,UNII-95AK1A52I8,UNII95AK1A52I8,"LJC 11,084",95AK1A52I8,LJC-11084,LJC11084,ME-1211,Tebipenempivoxil,"Tebipenem (INN)
","Tebipenem pivoxil (L-084)","Tebipenem pivoxil (L084)","Tebipenem pivoxil(L-084)","Tebipenem pivoxil(L084)","Orapenem (TN)",MLS006011128,SCHEMBL30,S2159,"Tebipenem Pivoxil"}

> <pdid>
PD012181

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{9892071}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  1  0            999 V2000
    9.0921   -0.7553    0.0000 C   0  0
    7.7941   -1.5072    0.0000 C   0  0
    6.9276   -1.0081    0.0000 C   0  0
    7.7953   -3.0080    0.0000 C   0  0
    6.4966   -3.7603    0.0000 N   0  0
    5.1976   -3.0086    0.0000 C   0  0
    5.1981   -1.5078    0.0000 C   0  0  1  0  0  0
    6.0644   -1.0083    0.0000 O   0  0
    3.8990   -0.7562    0.0000 C   0  0  2  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8995    0.7447    0.0000 N   0  0
    2.6005    1.4963    0.0000 C   0  0
    1.7341    0.9969    0.0000 O   0  0
    2.6009    2.9971    0.0000 O   0  0
    1.3019    3.7488    0.0000 C   0  0  1  0  0  0
    1.1624    5.2295    0.0000 C   0  0
   -0.3052    5.5397    0.0000 C   0  0
   -1.0538    4.2398    0.0000 O   0  0
   -0.0488    3.1262    0.0000 C   0  0
    6.4962   -5.2611    0.0000 S   0  0
    5.1975   -4.5105    0.0000 O   0  0
    5.1967   -6.0103    0.0000 O   0  0
    7.7952   -6.0127    0.0000 C   0  0
    9.0950   -5.2640    0.0000 C   0  0
   10.3933   -6.0152    0.0000 C   0  0
   10.3919   -7.5152    0.0000 C   0  0
   11.6902   -8.2664    0.0000 N   0  0
    9.0921   -8.2640    0.0000 C   0  0
    7.7938   -7.5127    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 21 20  1  6
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 21  1  0
  5 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12648

> <plate>
PLATE 022

> <well>
B8

> <supplier_cmpd_name>
Amprenavir

> <ctcr_id>
7469

> <supplier_cmpd_id>
T6388

> <smiles>
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)[S](=O)(=O)c3ccc(N)cc3

> <pd_targets>
{POL,PROTEASE,"HIV-1 PROTEASE",CYP3A5,ABCB11,LMNA,CYP3A4,CTSD,TBXAS1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,"Other nuclear protein",Protease,"Cytochrome P450","Primary active transporter","Aspartic protease","Cysteine protease","Cytochrome P450 family 3","ATP-bindi
ng cassette","Cytochrome P450 family 5","Aspartic protease AA clan","Cysteine protease PAC clan","Cytochrome P450 family 3A","ABCB subfamily","Cysteine protease CA clan","Cytochrome P450 family 5A","A
spartic protease A2A subfamily","Cysteine protease C3A subfamily","Cytochrome P450 3A5","Cysteine protease C1A family","Cytochrome P450 3A4","Aspartic protease A1A subfamily","Cytochrome P450 5A1"}

> <pathway_chembl>
{Enzymes,Transporters,"Cytochrome P450","ATP-binding cassette transporter family","Peptidases and proteinases","CYP3 family","ABCB subfamily","AA: Aspartic (A) Peptidases",CYP5,"CYP7 and CYP8 families
","A1: Pepsin"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Signal Transduction","Biological oxidations","Metabolism of lipids",Mitotic,"Signaling by Nuclear Receptors","Phase I - Functionalization of compounds","Metabolism of steroid
s","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","ESR-mediated signaling","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Mitotic Metaphase
 and Anaphase","Biosynthesis of DHA-derived SPMs","Estrogen-dependent gene expression",Xenobiotics,"Synthesis of bile acids and bile salts","Mitotic Anaphase","Biosynthesis of maresins",Eicosanoids,"S
ynthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"HIV protease inhibitor"}

> <synonyms>
{SCHEMBL34151,amprenavir,161814-49-9,161814499,Agenerase,Prozei,VX-478,VX478,141W94,"Amprenavir (agenerase)",KVX-478,KVX478,"VX 478",UNII-5S0W860XNR,UNII5S0W860XNR,CHEBI:40050,5S0W860XNR,"Vertex VX478
",AMV,"141 W94",DRG-0258,DRG0258,"Agenerase (TM)","Agenerase (TN)","GNA & Amprenavir","HHA &",T6388,S1639,Amprenavir}

> <pdid>
PD010072

> <targets>
{"HIV Protease"}

> <classes>
{}

> <pubchem_cids>
{65016}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  1  0            999 V2000
   -0.2823   -5.5001    0.0000 C   0  0
   -0.7300   -4.0685    0.0000 C   0  0  2  0  0  0
   -2.1946   -3.7406    0.0000 C   0  0
   -3.2115   -4.8444    0.0000 C   0  0
   -4.6761   -4.5166    0.0000 C   0  0
   -5.6930   -5.6204    0.0000 C   0  0
   -6.7088   -6.7241    0.0000 C   0  0
   -5.2453   -7.0520    0.0000 C   0  0
   -7.1567   -5.2927    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8872    5.2571    0.0000 C   0  0
    5.1832    6.0124    0.0000 C   0  0  1  0  0  0
    5.1770    7.5124    0.0000 O   0  0
    6.4853    5.2677    0.0000 C   0  0
    6.4914    3.7677    0.0000 C   0  0
    5.1955    3.0124    0.0000 C   0  0
    5.2017    1.5124    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  2 10  1  0
 10 11  1  6
 11 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 10  1  0
 18 13  1  0
 18 19  1  6
 14 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  1
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 22  1  0
 28 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12649

> <plate>
PLATE 022

> <well>
B9

> <supplier_cmpd_name>
Calcifediol

> <ctcr_id>
7390

> <supplier_cmpd_id>
T6430

> <smiles>
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)CCC3=C

> <pd_targets>
{RORC,VDR}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone recepto
r subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group I member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans","1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","RNA Polymerase II Transcription","Post-translational protein modification","Generic Transcription Pathway",SUMOylation,"Transcriptional reg
ulation by RUNX3","SUMO E3 ligases SUMOylate target proteins","RUNX3 Regulates Immune Response and Cell Migration","SUMOylation of intracellular receptors"}

> <broad_targets>
{VDR}

> <broad_moa>
{"vitamin D receptor agonist"}

> <synonyms>
{Calcifediol,Calcidiol,"25-hydroxyvitamin D3","25hydroxyvitamin D3",25-Hydroxycholecalciferol,25Hydroxycholecalciferol,19356-17-3,19356173,Hidroferol,"Calcifediol anhydrous",Didrogyl,"25-Hydroxyvitami
n D","25Hydroxyvitamin D",Calderol,Calcifediolum,Rayaldee,"Ro 8-8892","Ro 88892","5,6-cis-25-Hydroxyvitamin D3","5,6cis25Hydroxyvitamin D3",Cholecalciferol,25-hy,25hy,T6430,S1469}

> <pdid>
PD010203

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{5283731}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
   -0.0125    0.7578    0.0000 C   0  0
    1.3100    0.0500    0.0000 C   0  0
    1.3100   -1.5800    0.0000 C   0  0
    2.2400   -2.3600    0.0000 C   0  0
    3.7100   -1.8500    0.0000 C   0  0
    6.0300   -1.8500    0.0000 C   0  0
    6.0300   -0.2500    0.0000 C   0  0
    4.8700    0.4700    0.0000 C   0  0
    4.8700    1.9700    0.0000 O   0  0
    3.7100   -0.2500    0.0000 C   0  0
    2.5400    0.8700    0.0000 C   0  0
    1.5829    0.5802    0.0000 C   0  0
    1.0100    0.8700    0.0000 C   0  0
   -0.1400   -0.2500    0.0000 C   0  0
   -0.1400   -1.8500    0.0000 C   0  0
   -0.2789   -3.3436    0.0000 C   0  0
   -1.2763   -0.9153    0.0000 C   0  0
   -2.6990   -1.3904    0.0000 C   0  0
    1.0100   -2.9900    0.0000 C   0  0
    0.4390   -4.3771    0.0000 O   0  0
    2.5400   -2.9900    0.0000 C   0  0
    3.1050   -4.3795    0.0000 C   0  0
    0.4655    2.2719    0.0000 O   0  0
   -1.0176    2.5022    0.0000 C   0  0
   -1.9577    1.3334    0.0000 O   0  0
   -1.5605    3.9014    0.0000 C   0  0
   -3.0436    4.1317    0.0000 S   0  0
   -3.5865    5.5309    0.0000 C   0  0
   -4.3518    6.4056    0.0000 C   0  0
   -6.1088    6.7374    0.0000 C   0  0
   -7.3061    5.6081    0.0000 C   0  0
   -6.0480    6.0761    0.0000 C   0  0
   -5.1622    7.2271    0.0000 C   0  0
   -3.5418    6.9582    0.0000 C   0  0
   -6.0855    8.2370    0.0000 N   0  0
   -6.6175    9.6395    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10  5  1  0
 10 11  1  0
 11  2  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 15 19  1  0
 19 20  1  0
 19 21  1  0
 21  5  1  0
 21 22  1  0
 13 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 28  1  0
 33 35  1  0
 35 30  1  0
 35 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12650

> <plate>
PLATE 022

> <well>
B10

> <supplier_cmpd_name>
Retapamulin

> <ctcr_id>
4736

> <supplier_cmpd_id>
T6638

> <smiles>
CC1CCC23CCC(=O)C2C1(C)C(CC(C)(C=C)C(O)C3C)OC(=O)CSC4CC5CCC(C4)N5C

> <pd_targets>
{RPLC}

> <pathway_gtopdb>
{}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{224452-66-8,224452668,SCHEMBL16274117,BCP21646,STL451038,LS-15290,LS15290,FT-0701139,FT0701139,"SB-275833; SB 275833; SB275833","SB275833; SB 275833; SB275833",S4056,Retapamulin}

> <pdid>
PD012381

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{73046449}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 F   0  0
    2.5981    1.5000    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    3.8976   -0.7553    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  2  8  1  0
  1  9  1  0
  9 10  2  0
  9 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12651

> <plate>
PLATE 022

> <well>
B11

> <supplier_cmpd_name>
Favipiravir

> <ctcr_id>
11260

> <supplier_cmpd_id>
T6833

> <smiles>
c1(c(ncc(n1)F)O)C(=O)N

> <pd_targets>
{GABRA1,REP,PA,PB1,PB2}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Ligand-gated ion channel",Transferase,"GABA-A receptor"}

> <pathway_chembl>
{"Ion channels","Other protein targets","Ligand-gated ion channels","Anti-infective targets","GABA<sub>A</sub> receptors","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Neuronal System",Disease,"Transmission across Chemical Synapses","Infectious disease","Neurotransmitter receptors and postsynaptic signal transmission","SARS-CoV Infections","GABA receptor activatio
n","SARS-CoV-2 Infection","SARS-CoV-2 Genome Replication and Transcription","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Favipiravir,259793-96-9,259793969,6-FLUORO-3-HYDROXYPYRAZINE-2-CARBOXAMIDE,6FLUORO3HYDROXYPYRAZINE2CARBOXAMIDE,T-705,T705,"6-fluoro-3-oxo-3,4-dihydropyrazine-2-carboxamide","6fluoro3oxo3,4dihydropyra
zine2carboxamide","Favipiravir (T-705)","Favipiravir (T705)",6-fluoro-3-hydroxy-2-pyrazinecarboxamide,6fluoro3hydroxy2pyrazinecarboxamide,5-fluoro-2-oxo-1H-pyrazine-3-carboxamide,5fluoro2oxo1Hpyrazine
3carboxamide,"T 705",UNII-EW5G,UNIIEW5G,T6833}

> <pdid>
PD021515

> <targets>
{"RNA-dependent RNA polymerase"}

> <classes>
{Others}

> <pubchem_cids>
{492405}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
   -9.5055   -3.7709    0.0000 C   0  0
   -8.0474   -3.4190    0.0000 N   0  0
   -7.0123   -4.5057    0.0000 C   0  0
   -5.5533   -4.1536    0.0000 C   0  0
   -4.5172   -5.2383    0.0000 C   0  0
   -3.0598   -4.8833    0.0000 C   0  0
   -2.6408   -3.4482    0.0000 C   0  0
   -3.6746   -2.3590    0.0000 C   0  0
   -5.1320   -2.7140    0.0000 C   0  0
   -1.2135   -2.9844    0.0000 C   0  0
    0.0000   -3.8661    0.0000 N   0  0
    1.2135   -2.9844    0.0000 C   0  0
    2.7062   -3.2328    0.0000 C   0  0
    3.6761   -2.0885    0.0000 C   0  0
    5.1520   -2.3564    0.0000 F   0  0
    3.1701   -0.6764    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    7.6534   -2.3620    0.0000 O   0  0
    8.9527   -1.6124    0.0000 P   0  0
    8.9527   -0.1124    0.0000 O   0  0
    8.9527   -3.1124    0.0000 O   0  0
   10.2520   -2.3620    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 10  2  0
 23 24  1  0
 24 12  1  0
 24 17  2  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12652

> <plate>
PLATE 022

> <well>
C2

> <supplier_cmpd_name>
Rucaparib Phosphate

> <ctcr_id>
1217

> <supplier_cmpd_id>
T6127

> <smiles>
CNCc1ccc(cc1)c2[nH]c3cc(F)cc4C(=O)NCCc2c34.O[P](O)(O)=O

> <pd_targets>
{DYRK1A,PARP12,PARP1,PARP4,PARP3,PARP14,PRKD2,PARP2,PARP15,PARP10,TNKS2,PIM1,CDK1,TNKS,H6PD}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","CMGC protein kinase group","CAMK protein kinase group","CMGC protein kinase DYRK family","CAMK protein kinase PKD family","CAMK protein kinase PIM family",
"CMGC protein kinase CDK family","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Poly ADP-ribose polymerases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","Dual-specificity tyrosine-(Y)-phosph
orylation regulated kinase (DYRK) family","Protein kinase D (PKD) family","PIM family","Cyclin-dependent kinase (CDK) family","Dyrk1 subfamily","CDK1 subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,Metabolism,"DNA Repair","Signal Transduction",Mitotic,"Infectious disease","Metabolism of lipids","Base Excision Repair","Intracellular signaling by second messengers","Diseases 
of signal transduction by growth factor receptors and second messengers","Mitotic G1 phase and G1/S transition","Influenza Infection","SARS-CoV Infections","Sphingolipid metabolism","Resolution of Aba
sic Sites (AP sites)","PIP3 activates AKT signaling","FLT3 signaling in disease","Regulation of mitotic cell cycle","G0 and Early G1","Influenza Viral RNA Transcription and Replication","SARS-CoV-1 In
fection","Sphingolipid de novo biosynthesis","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","PTEN Regulation","Signaling by FLT3 ITD and TKD mutants","APC/C-mediated de
gradation of cell cycle proteins","vRNA Synthesis","Translation of structural proteins","POLB-Dependent Long Patch Base Excision Repair","Regulation of PTEN stability and activity","STAT5 activation d
ownstream of FLT3 ITD mutants","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Maturation of nucleoprotein","APC/C:Cdc20 mediated degradation of mitotic proteins","APC:
Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{PARP1,PARP2}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{"Rucaparib phosphate",459868-92-9,459868929,AG-014699,AG014699,PF-01367338,PF01367338,"Rucaparib (phosphate)","AG 014699","Rucaparib (AG-014699,PF-01367338)","Rucaparib (AG014699,PF01367338)",AG-1469
9,AG14699,AG-014447,AG014447,UNII-H3M9955244,UNIIH3M9955244,"459868-92-9 (phosphate)","459868929 (phosphate)","Rucaparib phosphate (USAN)",H3M99552,T4463,T6127,756644,S1098,Rucaparib,"Rucaparib Phosph
ate","Rucaparib (AG-014699 , PF-01367338)"}

> <pdid>
PD018527

> <targets>
{PARP}

> <classes>
{}

> <pubchem_cids>
{9931953}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  1  0            999 V2000
    2.4649   -8.5570    0.0000 O   0  0
    1.0464   -8.0694    0.0000 C   0  0
    0.7588   -6.5990    0.0000 C   0  0
    1.7829   -5.5029    0.0000 O   0  0
    1.0494   -4.2146    0.0000 C   0  0
   -0.4158   -4.4751    0.0000 C   0  0
   -0.6000   -5.9637    0.0000 C   0  0
   -1.9127   -6.6897    0.0000 O   0  0
    1.5767   -2.8095    0.0000 N   0  0
    3.0226   -2.4104    0.0000 C   0  0
    3.0899   -0.9120    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0  2  0  0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 N   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  1  0
 19  9  1  0
 19 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12653

> <plate>
PLATE 022

> <well>
C3

> <supplier_cmpd_name>
Pentostatin

> <ctcr_id>
6972

> <supplier_cmpd_id>
T4006

> <smiles>
OCC1OC(CC1O)n2cnc3[C@H](O)CN=CNc23

> <pd_targets>
{ADA}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,"Adenosine turnover"}

> <pathway_reactome>
{Metabolism,"Metabolism of nucleotides","Nucleotide salvage","Purine salvage"}

> <broad_targets>
{ADA}

> <broad_moa>
{"adenosine deaminase inhibitor","ribonucleotide reductase inhibitor"}

> <synonyms>
{Co-V,CoV,Vidarbine,CO-Vidarabine,COVidarabine,2'-Deoxycoformycin,2'Deoxycoformycin,NSC218321,PD-ADI,PDADI,"Deaminase inhibitor (PD)","Vira A deaminase inhibitor",Covidarabine,"Deaminase inhibitor","N
SC 218321","CL 67310465",53910-25-1,53910251,Niapent,SCHEMBL172758,CHEMBL360191,NSC247520,NSC,T4006,218321,Pentostatin}

> <pdid>
PD009968

> <targets>
{}

> <classes>
{"Adenosine deaminase inhibitor"}

> <pubchem_cids>
{40926}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 40  0  0  1  0            999 V2000
   10.2994   -2.2704    0.0000 Cl  0  0
    5.1852    3.0091    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0  2  0  0  0
    3.8939    0.7546    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0  2  0  0  0
    7.7988   -1.4819    0.0000 N   0  0
    6.4920    0.7636    0.0000 C   0  0  2  0  0  0
    7.7884    1.5180    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    1.3170    2.2180    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -5.1961   -7.5000    0.0000 C   0  0
   -3.8971   -8.2500    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2999    2.2084    0.0000 C   0  0
   -2.5993    1.4590    0.0000 O   0  0
   -1.2998    3.7084    0.0000 C   0  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9  3  1  0
  9 10  1  1
  5 11  1  6
 12 11  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 20  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 12  1  0
 34 17  1  0
 14 35  1  0
 35 36  2  0
 35 37  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12654

> <plate>
PLATE 022

> <well>
C4

> <supplier_cmpd_name>
Idarubicin HCl

> <ctcr_id>
7823

> <supplier_cmpd_id>
T6010

> <smiles>
Cl.C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C

> <pd_targets>
{PMP22,SKA,THRB,RECQL,KMT2A,MEN1,KDM4E,BLM,HSF1,ALDH1A1,LMNA,NFO,MAPT,USP2,APEX1,RORC,POLB,HTT,MAPK1,MTOR,TOP2A,CHRM1,HBB,DAF-12,GNAI1,RGS12,STAT6,BRCA1,CYP1A2,HIF1A,ALOX15,TP53,THPO,CYP3A4,NFKB1,TSHR
,NR1H2,S100A4,PAX8}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Transcription factor","Epigenetic regulator","Other cytosolic protein","Other nuclear protein",Kinase,"Nuclear receptor",Reader,Eraser,Oxidoreductase,Hydrolase,Protease
,Isomerase,"Nuclear hormone receptor subfamily 1",Bromodomain,"Lysine demethylase","Cysteine protease","Protein Kinase","Nuclear hormone receptor subfamily 1 group A","Jumonji domain-containing","Cyst
eine protease CA clan","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine prot
ease C19 family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRA
P subfamily","Membrane receptor","Secreted protein","Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Cytochrome P450 family
 3","Peptide receptor (family A GPCR)","Monoamine receptor","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group H","Acetylcholin
e receptor","Cytochrome P450 1A1","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group H member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Chromatin modifying enzymes","Peptidases and proteinases","Kinases (EC 2.7.x.x)","DNA topoisomerases","1A. Thyroid hormone receptors","1.14.11.- Histone
 demethylases","CA: Cysteine (C) Peptidases","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"C19: Ubiquitin-s
pecific protease","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily","Other protein targets","G protein-
coupled receptors","Transcription factors","Cytochrome P450","Eicosanoid turnover","Acetylcholine receptors (muscarinic)","STAT transcription factors","CYP1 family",Lipoxygenases,"CYP3 family","Glycop
rotein hormone receptors","1H. Liver X receptor-like receptors"}

> <pathway_reactome>
{"Developmental Biology","Metabolism of proteins","DNA Repair","Cellular responses to external stimuli",Metabolism,"Cell Cycle","Neuronal System","Gene expression (Transcription)","Immune System","Ner
vous system development","Post-translational protein modification","DNA Double-Strand Break Repair","Cellular responses to stress","Biological oxidations",Mitotic,"Transmission across Chemical Synapse
s","RNA Polymerase II Transcription","Base Excision Repair","Innate Immune System","EGR2 and SOX10-mediated initiation of Schwann cell myelination",SUMOylation,"Homology Directed Repair","Cellular res
ponse to heat stress","Phase I - Functionalization of compounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Resolution of Abasic Sites
 (AP sites)","Toll-like Receptor Cascades","Mitotic G1 phase and G1/S transition","SUMO E3 ligases SUMOylate target proteins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SS
A)","HSF1-dependent transactivation","Ethanol oxidation","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","Transcriptional r
egulation by RUNX1","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Transcriptional regulation by RUNX3","Transcriptional Regulation by MECP2","Toll Like Receptor 5 (TL
R5) Cascade","G0 and Early G1","SUMOylation of intracellular receptors","HDR through Homologous Recombination (HRR)","Attenuation phase","Mitotic Anaphase","Post NMDA receptor activation events","Regu
lation of TP53 Activity","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","PCNA-Dependent Long Patch Base Excision Repair","RUNX3 Regulates Immune Response and C
ell Migration","Regulation of MECP2 expression and activity","MyD88 cascade initiated on plasma membrane","Transcription of E2F targets under negative control by DREAM complex","Homologous DNA Pairing
 and Strand Exchange","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","MAP kinase activation","Presynaptic phase of homolog
ous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs 
are inactivated","Signal Transduction",Hemostasis,Disease,"Signaling by GPCR","Metabolism of lipids","Cell Cycle Checkpoints","Platelet activation","signaling and aggregation","Cytokine Signaling in I
mmune system","Infectious disease","GPCR ligand binding","Neutrophil degranulation","Cytosolic sensors of pathogen-associated DNA","Cellular response to hypoxia","Biosynthesis of specialized proresolv
ing mediators (SPMs)","G1/S DNA Damage Checkpoints","Platelet Aggregation (Plug Formation)","Signaling by Interleukins","Leishmania infection","Class A/1 (Rhodopsin-like receptors)","STING mediated in
duction of host immune responses","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DPA-derived SPMs","p53-Depe
ndent G1/S DNA damage checkpoint","Biosynthesis of DHA-derived SPMs","Interleukin-1 family signaling","Leishmania parasite growth and survival","Amine ligand-binding receptors","STAT6-mediated inducti
on of chemokines",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins","Interleukin-1 signaling","Anti-inflammatory response favouring Leishmania
 parasite infection","Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of DPAn-3-derived protectins and resolvins","Stabilization of
 p53","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","ADORA2B mediated anti-inflammatory cytokines production","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{AKOS015895682,SW219421-1,SW2194211,T6010,S1228,"Idarubicin HCl"}

> <pdid>
PD002710

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{51066564}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 50  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -5.1961   -7.5000    0.0000 C   0  0  2  0  0  0
   -6.4764   -6.7185    0.0000 O   0  0
   -3.8971   -8.2500    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0  2  0  0  0
   -1.2998   -8.2531    0.0000 O   0  0
   -1.3019   -9.7539    0.0000 C   0  0  1  0  0  0
   -0.0055  -10.5085    0.0000 C   0  0
   -0.0107  -12.0085    0.0000 C   0  0  2  0  0  0
    1.2858  -12.7630    0.0000 N   0  0
   -1.3123  -12.7540    0.0000 C   0  0  2  0  0  0
   -1.3144  -14.2548    0.0000 O   0  0
   -0.0162  -15.0079    0.0000 C   0  0
   -0.0161  -16.5079    0.0000 C   0  0
    1.2830  -17.2579    0.0000 C   0  0
    2.5820  -16.5079    0.0000 C   0  0
    2.5820  -15.0079    0.0000 C   0  0
    1.2830  -14.2579    0.0000 O   0  0
   -2.6087  -11.9995    0.0000 C   0  0  2  0  0  0
   -3.9104  -12.7450    0.0000 C   0  0
   -2.6036  -10.4995    0.0000 O   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1596   -8.9800    0.0000 C   0  0
   -6.4587   -9.7299    0.0000 O   0  0
   -3.8602   -9.7310    0.0000 C   0  0
   -3.8599  -11.2310    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  1  0
 18 19  1  1
 20 19  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
 24 32  1  0
 32 33  1  6
 32 34  1  0
 34 20  1  0
 18 35  1  0
 35 13  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 10  1  0
 38 39  1  0
 39 40  2  0
 39 41  1  0
 41  3  1  0
 41  7  2  0
 15 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12655

> <plate>
PLATE 022

> <well>
C5

> <supplier_cmpd_name>
Pirarubicin

> <ctcr_id>
7107

> <supplier_cmpd_id>
T6628

> <smiles>
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](OC6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO

> <pd_targets>
{KMT2A,MEN1,BLM,HTT,RORC}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Unclassified protein","Transcription factor",Reader,"Nuclear receptor",Bromodomain,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F"
,"Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Nuclear hormone receptors","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Generic Transcription Pathway","Homology Directed Repair","Transcriptional regulatio
n by RUNX1","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","RUNX1 regulates genes involved in
 megakaryocyte differentiation and platelet function","HDR through Homologous Recombination (HRR)","Regulation of MECP2 expression and activity","RUNX3 Regulates Immune Response and Cell Migration","H
omologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{HPADRIAMYCI,Therarubicin,pirarubicin,THP-ADM,THPADM,Theprubicin,72496-41-4,72496414,Pinorubicin,Pinorubin,"Pirarubicin, >=95 (HPLC)",SR-01000944915,SR01000944915,SR-01000944915-1,SR010009449151,S1393
,Pirarubicin}

> <pdid>
PD014438

> <targets>
{Topoisomerase}

> <classes>
{}

> <pubchem_cids>
{6917695}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 26  0  0  0  0            999 V2000
   13.8406   -5.3559    0.0000 O   0  0
   11.3406   -5.3559    0.0000 O   0  0
    6.4897   -5.2632    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1929   -3.0062    0.0000 C   0  0
    5.1933   -1.5062    0.0000 O   0  0
    6.4919   -3.7562    0.0000 O   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    6.4855   -8.2648    0.0000 N   0  0
    7.8369   -7.6438    0.0000 C   0  0
    8.8406   -8.7585    0.0000 C   0  0
    8.0906  -10.0575    0.0000 C   0  0
    6.6233   -9.7456    0.0000 C   0  0
    5.5044  -10.7419    0.0000 C   0  0
    5.8070  -12.2110    0.0000 O   0  0
    4.0806  -10.2699    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  6 15  1  0
 15 16  2  0
 15 17  1  0
  4 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12656

> <plate>
PLATE 022

> <well>
C6

> <supplier_cmpd_name>
Enalaprilat Dihydrate

> <ctcr_id>
1964

> <supplier_cmpd_id>
T6340

> <smiles>
O.O.CC(NC(CCc1ccccc1)C(=O)O)C(=O)N2CCCC2C(=O)O

> <pd_targets>
{ACE,ACE2}

> <pathway_gtopdb>
{Enzyme,Protease,"Metallo protease","Metallo protease MAE clan","Metallo protease M2 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","MA: Metallo (M) Peptidases","M2: Angiotensin-converting  (ACE and ACE2)"}

> <pathway_reactome>
{"Metabolism of proteins",Disease,"Peptide hormone metabolism","Infectious disease","Metabolism of Angiotensinogen to Angiotensins","SARS-CoV Infections","SARS-CoV-1 Infection","Attachment and Entry"}

> <broad_targets>
{ACE}

> <broad_moa>
{"angiotensin converting enzyme inhibitor"}

> <synonyms>
{HMS3651I15,AK671149,LS-14675,LS14675,T6340,S1657,"Enalaprilat Dihydrate"}

> <pdid>
PD003008

> <targets>
{RAAS}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{21585234}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 72 75  0  0  0  0            999 V2000
    6.7266    5.4850    0.0000 C   0  0
    5.2505    5.7518    0.0000 C   0  0
    4.2802    4.6068    0.0000 C   0  0
    2.8012    4.3567    0.0000 C   0  0
    2.2785    2.9498    0.0000 C   0  0
    0.7995    2.6996    0.0000 C   0  0
    0.2768    1.2927    0.0000 C   0  0
    1.2331    0.1360    0.0000 C   0  0
    0.7104   -1.2708    0.0000 C   0  0
    1.6668   -2.4276    0.0000 C   0  0
    3.1457   -2.1774    0.0000 C   0  0
    4.1021   -3.3341    0.0000 C   0  0
    3.5790   -4.7399    0.0000 O   0  0
    5.5810   -3.0839    0.0000 O   0  0
    6.1037   -1.6770    0.0000 C   0  0
    7.5827   -1.4269    0.0000 C   0  0
    8.1054   -0.0200    0.0000 C   0  0
    7.1491    1.1367    0.0000 C   0  0
    7.6718    2.5436    0.0000 C   0  0
    6.7155    3.7003    0.0000 C   0  0
    5.2365    3.4501    0.0000 C   0  0
    6.1908    2.2918    0.0000 O   0  0
    7.6712    2.5381    0.0000 C   0  0
    8.6489    3.6757    0.0000 C   0  0
   10.1230    3.3980    0.0000 C   0  0
   10.6194    1.9825    0.0000 C   0  0
    9.6419    0.8448    0.0000 C   0  0
    8.1678    1.1226    0.0000 O   0  0
   11.1221    0.6019    0.0000 C   0  0
    8.6379   -0.2696    0.0000 C   0  0
   11.9119    1.2196    0.0000 O   0  0
   13.2193    1.9566    0.0000 C   0  0
   13.2343    3.4565    0.0000 O   0  0
   14.5118    1.1937    0.0000 C   0  0
   15.8184    1.9303    0.0000 C   0  0
   14.4968   -0.3063    0.0000 C   0  0
   11.1005    4.5357    0.0000 O   0  0
    8.1525    5.0912    0.0000 O   0  0
    7.2385    5.1061    0.0000 C   0  0
    5.6701    0.8865    0.0000 C   0  0
    4.8108   -0.9149    0.0000 C   0  0
    3.5053   -1.6536    0.0000 C   0  0
    4.8234    0.5850    0.0000 O   0  0
    2.1867   -1.0229    0.0000 C   0  0
    0.7073   -1.2754    0.0000 O   0  0
    0.1852   -2.6825    0.0000 C   0  0
    0.6866   -4.0962    0.0000 C   0  0
   -0.2870   -5.2373    0.0000 C   0  0
   -1.7620   -4.9647    0.0000 C   0  0
   -2.2635   -3.5510    0.0000 C   0  0
   -1.2899   -2.4099    0.0000 O   0  0
   -3.7385   -3.2784    0.0000 C   0  0
   -2.7385   -6.1044    0.0000 O   0  0
   -4.0310   -5.3415    0.0000 C   0  0
   -4.0160   -3.8416    0.0000 O   0  0
   -5.3384   -6.0785    0.0000 C   0  0
   -6.6313   -5.3179    0.0000 C   0  0
   -7.9364   -6.0572    0.0000 C   0  0
   -7.9488   -7.5571    0.0000 C   0  0
   -6.6560   -8.3178    0.0000 C   0  0
   -5.3508   -7.5786    0.0000 C   0  0
   -4.0580   -8.3393    0.0000 O   0  0
   -6.6684   -9.8178    0.0000 Cl  0  0
   -9.2540   -8.2964    0.0000 O   0  0
   -9.2292   -5.2965    0.0000 Cl  0  0
   -6.6220   -3.8171    0.0000 C   0  0
   -7.9159   -3.0583    0.0000 C   0  0
    0.2144   -6.6510    0.0000 O   0  0
    2.1618   -4.3721    0.0000 O   0  0
    2.6612   -5.7865    0.0000 C   0  0
   -0.1568    3.8552    0.0000 O   0  0
    3.2348    1.7942    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 27 29  1  0
 27 30  1  0
 26 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 25 37  1  0
 24 38  1  0
 20 39  1  0
 18 40  1  0
 15 41  1  0
 41 42  1  0
 41 43  1  0
 11 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 46  1  0
 50 52  1  0
 49 53  1  0
 53 54  1  0
 54 55  2  0
 54 56  1  0
 56 57  2  3
 57 58  1  0
 58 59  2  3
 59 60  1  0
 60 61  2  3
 61 56  1  0
 61 62  1  0
 60 63  1  0
 59 64  1  0
 58 65  1  0
 57 66  1  0
 66 67  1  0
 48 68  1  0
 47 69  1  0
 69 70  1  0
  6 71  1  0
  5 72  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12657

> <plate>
PLATE 022

> <well>
C7

> <supplier_cmpd_name>
Fidaxomicin

> <ctcr_id>
7865

> <supplier_cmpd_id>
T6194

> <smiles>
CCC1C=C(C(CC=CC=C(C(=O)OC(CC=C(C=C(C1OC2C(C(C(C(O2)(C)C)OC(=O)C(C)C)O)O)C)C)C(C)O)COC3C(C(C(C(O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)C

> <pd_targets>
{RPOA,RPOB,RPOC,RPOZ,SIGA1}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"RNA polymerase inhibitor"}

> <synonyms>
{Fidaxomicin,873857-62-6,873857626,"873857 62 6",AK402701,DA-33628,DA33628,"DA 33628",S4227}

> <pdid>
PD012451

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{151383}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 72 75  0  0  1  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4007    1.4818    0.0000 C   0  0
  -11.6971    0.7273    0.0000 C   0  0
  -11.6919   -0.7727    0.0000 C   0  0
  -12.9883   -1.5272    0.0000 F   0  0
  -10.3903   -1.5182    0.0000 C   0  0
   -9.0939   -0.7637    0.0000 C   0  0
   -6.4964   -0.7598    0.0000 C   0  0
   -7.7931   -1.5140    0.0000 C   0  0
   -7.7884   -3.0140    0.0000 C   0  0
   -6.4871   -3.7599    0.0000 N   0  0
   -6.4824   -5.2599    0.0000 C   0  0
   -5.1904   -3.0059    0.0000 C   0  0
   -5.1950   -1.5059    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   24.5745   -5.2570    0.0000 C   0  0
   24.5766   -3.7570    0.0000 C   0  0
   25.8770   -3.0093    0.0000 C   0  0
   23.2784   -3.0039    0.0000 C   0  0
   23.2806   -1.5031    0.0000 O   0  0
   21.9824   -0.7500    0.0000 C   0  0
   21.9823    0.7500    0.0000 C   0  0
   20.6833    1.5000    0.0000 C   0  0
   19.3843    0.7500    0.0000 C   0  0
   18.0830    1.4977    0.0000 C   0  0
   16.7843    0.7455    0.0000 N   0  0
   15.4830    1.4932    0.0000 C   0  0
   15.4804    2.9932    0.0000 O   0  0
   14.1843    0.7409    0.0000 N   0  0
   12.8830    1.4887    0.0000 C   0  0
   11.5843    0.7364    0.0000 C   0  0
   10.2826    1.4818    0.0000 C   0  0
    8.9862    0.7273    0.0000 C   0  0
    8.9914   -0.7727    0.0000 C   0  0
    7.6950   -1.5272    0.0000 F   0  0
   10.2930   -1.5182    0.0000 C   0  0
   11.5895   -0.7637    0.0000 C   0  0
   14.1869   -0.7598    0.0000 C   0  0
   12.8902   -1.5140    0.0000 C   0  0
   12.8949   -3.0140    0.0000 C   0  0
   14.1962   -3.7599    0.0000 N   0  0
   14.2009   -5.2599    0.0000 C   0  0
   15.4929   -3.0059    0.0000 C   0  0
   15.4883   -1.5059    0.0000 C   0  0
   19.3843   -0.7500    0.0000 C   0  0
   20.6833   -1.5000    0.0000 C   0  0
   32.2776    0.7416    0.0000 O   0  0
   32.2776   -0.7584    0.0000 C   0  0  2  0  0  0
   30.9776   -1.5084    0.0000 C   0  0  1  0  0  0
   30.9776   -3.0084    0.0000 O   0  0
   29.6776   -0.7584    0.0000 C   0  0
   29.6776    0.7416    0.0000 O   0  0
   28.3783   -1.5080    0.0000 O   0  0
   33.5776   -1.5084    0.0000 C   0  0
   33.5776   -3.0084    0.0000 O   0  0
   34.8769   -0.7588    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 16  1  0
 14 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 23  1  0
  9 30  1  0
 30 31  2  0
 31  6  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 51  1  0
 50 52  1  0
 52 53  2  0
 53 47  1  0
 45 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 57 59  1  0
 59 60  1  0
 60 54  1  0
 40 61  1  0
 61 62  2  0
 62 37  1  0
 64 63  1  1
 64 65  1  0
 65 66  1  1
 65 67  1  0
 67 68  1  0
 67 69  2  0
 64 70  1  0
 70 71  1  0
 70 72  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12658

> <plate>
PLATE 022

> <well>
C8

> <supplier_cmpd_name>
Pimavanserin tartrate

> <ctcr_id>
8210

> <supplier_cmpd_id>
T6946

> <smiles>
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C3CCN(C)CC3)cc1.CC(C)COc4ccc(CNC(=O)N(Cc5ccc(F)cc5)C6CCN(C)CC6)cc4.O[C@H]([C@@H](O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Pimavanserin tartrate",UNII-NA83F1SJSR,UNIINA83F1SJSR,706782-28-7,706782287,Nuplazid,"ACP 103",ACP-103,ACP103,"706782-28-7 (tartrate)","706782287 (tartrate)",NA83F1SJSR,"Pimavanserin tartrate (USAN)
","Nuplazide (TN)","pimavanserin hemitartrate",DTXSID50220958,CHEBI:133014,HMS3886L06,HY-14557A,HY14557A,Pimavans,T6946,S8183,Pimavanserin}

> <pdid>

> <targets>
{"5-HT Receptor"}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{11672491}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  1  0            999 V2000
    0.7500   -1.0323    0.0000 N   0  3
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
    2.7115    0.3950    0.0000 C   0  0
    3.1750   -1.0316    0.0000 C   0  0
    1.9615   -1.9133    0.0000 C   0  0
    4.5990   -1.4976    0.0000 S   0  0
    4.9089   -2.9660    0.0000 C   0  0
    6.2726   -3.5595    0.0000 C   0  0
    6.1106   -5.0508    0.0000 N   0  0
    4.6423   -5.3575    0.0000 C   0  0  2  0  0  0
    3.8969   -4.0559    0.0000 C   0  0  1  0  0  0
    2.4066   -3.8850    0.0000 C   0  0
    4.9483   -6.8223    0.0000 C   0  0  2  0  0  0
    6.4166   -6.5155    0.0000 C   0  0
    7.6718   -7.3369    0.0000 O   0  0
    4.1278   -8.0717    0.0000 C   0  0  1  0  0  0
    2.6303   -7.9851    0.0000 C   0  0
    4.8011   -9.4121    0.0000 O   0  0
    7.5654   -2.8023    0.0000 C   0  0
    7.5569   -1.3024    0.0000 O   0  0
    8.8689   -3.5446    0.0000 O   0  5
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  1  2  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  1  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 13 12  1  1
 13 14  1  0
 14 10  1  0
 14 15  1  1
 13 16  1  0
 16 17  1  6
 17 12  1  0
 17 18  2  0
 16 19  1  0
 19 20  1  6
 19 21  1  0
 11 22  1  0
 22 23  2  0
 22 24  1  0
M  CHG  2   1   1  24  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12659

> <plate>
PLATE 022

> <well>
C9

> <supplier_cmpd_name>
Biapenem

> <ctcr_id>
11261

> <supplier_cmpd_id>
T6411

> <smiles>
[n+]12n(cnc1)CC(C2)SC1=C(N2[C@H]([C@H]1C)[C@H](C2=O)[C@@H](C)O)C(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Biapenem,120410-24-4,120410244,Biapenern,Omegacin,L-627,L627,UNII-YR5U3L9ZH1,UNIIYR5U3L9ZH1,"L 627",LJC-10627,LJC10627,"LJ C10,627","CL 186,815",YR5U3L9ZH1,CL-186815,CL186815,CHEBI:3089,MFCD00864863,
"Biapenem (USAN:INN)","Omegacin (TN)",Bipenem,RPX2003,NCGC00164551-01,NCGC0016455101,PubChem5820,CL,T6411}

> <pdid>
PD012696

> <targets>
{Antibacterial}

> <classes>
{Microbiology&virology}

> <pubchem_cids>
{71339}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    2.2703   -4.0022    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0
   -0.6870   -2.7320    0.0000 O   0  0
    0.7500   -4.3800    0.0000 C   0  0
   -0.2670   -5.4825    0.0000 O   0  0
    2.2141   -4.7101    0.0000 C   0  0
    2.6609   -6.1420    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  0
 14 16  1  0
 16  5  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20  4  1  0
 20 21  1  0
 20 22  1  0
 22  2  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12660

> <plate>
PLATE 022

> <well>
C10

> <supplier_cmpd_name>
Meprednisone

> <ctcr_id>
6775

> <supplier_cmpd_id>
T6580

> <smiles>
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC2(C)C1(O)C(=O)CO

> <pd_targets>
{NR3C1}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","FOXO-mediated transcription of oxidative stress","metabolic and neur
onal genes"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{}

> <synonyms>
{Betapar,Betanisona,Bitanisone,Betalone,Lepicortin-beta,Lepicortinbeta,"Deltisona B","Deltacortene beta",Betapred,"Deltacortone Beta",NSC-527579,NSC527579,"Dexamethasone Impurity J",16.beta.-Methylpre
dnisone,16.beta.Methylprednisone,AKOS015895270,LS-14958,LS14958,FT-0659009,FT0659009,FT-0671646,FT0671646,Preg,T6580,S1689,Meprednisone}

> <pdid>
PD012156

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{4063}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8933    0.7554    0.0000 C   0  0
    3.0257    1.2526    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.3170    2.2179    0.0000 O   0  0
    1.2999    2.2084    0.0000 C   0  0
    2.1662    1.7088    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  9 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17  7  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12661

> <plate>
PLATE 022

> <well>
C11

> <supplier_cmpd_name>
Voglibose

> <ctcr_id>
773

> <supplier_cmpd_id>
T6723

> <smiles>
OCC(CO)NC1CC(O)(CO)C(O)C(O)C1O

> <pd_targets>
{GAA,SI,MGAM,AGL,MGAM2}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,"3.2.1.- Glycosidases"}

> <pathway_reactome>
{Disease,"Digestion and absorption",Metabolism,"Diseases of metabolism",Digestion,"Metabolism of carbohydrates","Diseases of carbohydrate metabolism","Digestion of dietary carbohydrate","Glycogen meta
bolism","Glycogen storage diseases","Intestinal saccharidase deficiencies","Glycogen breakdown (glycogenolysis)","Glycogen storage disease type II (GAA)"}

> <broad_targets>
{MGAM}

> <broad_moa>
{"glucosidase inhibitor"}

> <synonyms>
{"AO 128",Voglibosa,AKOS015902441,MCULE-7006460094,MCULE7006460094,112653-29-9,112653299,LS-13902,LS13902,FT-0630921,FT0630921,A25630,S4101,Voglibose}

> <pdid>
PD000460

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5677}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    6.5012    0.7438    0.0000 C   0  0
    6.4978   -0.7562    0.0000 C   0  0
    7.7955   -1.5087    0.0000 C   0  0
    7.7984   -0.0089    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8919   -5.2532    0.0000 N   0  0
    5.1910   -6.0033    0.0000 C   0  0
    5.1910   -7.5033    0.0000 C   0  0
    3.8919   -8.2533    0.0000 C   0  0
    3.8919   -9.7533    0.0000 O   0  0
    2.5929   -7.5033    0.0000 N   0  0
    2.5929   -6.0033    0.0000 C   0  0
    1.2938   -5.2534    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -3.8963    3.7531    0.0000 N   0  0
   -3.8942    5.2539    0.0000 S   0  0
   -5.1917    6.0066    0.0000 O   0  0
   -2.5938    6.0016    0.0000 O   0  0
   -3.8913    6.7539    0.0000 C   0  0
    3.8984    0.7484    0.0000 O   0  0
    2.5995    1.4986    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 11  1  0
 17 18  2  0
  7 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 22 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 21  1  0
 26 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  2  0
 30 33  1  0
  6 34  1  0
 34 35  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12662

> <plate>
PLATE 022

> <well>
D2

> <supplier_cmpd_name>
Dasabuvir

> <ctcr_id>
11262

> <supplier_cmpd_id>
T3489

> <smiles>
CC(C)(C)c1c(c(cc(c1)n1ccc(=O)[nH]c1=O)c1cc2c(cc1)cc(cc2)NS(=O)(=O)C)OC

> <pd_targets>
{NS5B}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","Potential therapeutics for SARS"}

> <broad_targets>
{}

> <broad_moa>
{"HCV inhibitor"}

> <synonyms>
{"Dasabuvir (INN)",Dasabuvir,1132935-63-7,1132935637,ABT-333,ABT333,"Dasabuvir (ABT-333)","Dasabuvir (ABT333)",UNII-DE54EQW8T1,UNIIDE54EQW8T1,exviera,"ABT 333",DE54EQW8T1,CHEBI:85182,C26H27N3O5S,Dasab
uvir(ABT-333),Dasabuvir(ABT333),"Dasabuvir (USAN:INN)","Dasabuvir (USAN/INN)","EC 805-439-9","EC 8054399",SCHEMBL351053,CHEM,T3489}

> <pdid>
PD009012

> <targets>
{"NS5B polymerase"}

> <classes>
{Microbiology&Virology,Proteases/Proteasome}

> <pubchem_cids>
{56640146}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 56 59  0  0  1  0            999 V2000
    7.5445   -6.5046    0.0000 N   0  0
    6.7945   -7.8036    0.0000 N   0  0
    5.3273   -7.4917    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  3
    6.5408   -5.3899    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 O   0  0
    3.8933    3.7570    0.0000 C   0  0
    5.1936    3.0093    0.0000 O   0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1894    6.0109    0.0000 N   0  0
    5.1872    7.5109    0.0000 C   0  0
    3.8976   -0.7553    0.0000 C   0  0
    9.0342   -6.3449    0.0000 C   0  0
    9.6427   -4.9729    0.0000 C   0  0  2  0  0  0
   11.1350   -4.8130    0.0000 C   0  0  1  0  0  0
   12.0188   -6.0249    0.0000 C   0  0
   11.7434   -3.4410    0.0000 C   0  0
   13.2007   -3.1440    0.0000 S   0  0
   13.3523   -1.6517    0.0000 C   0  0
   11.9799   -1.0464    0.0000 C   0  0
   10.9801   -2.1646    0.0000 N   0  0
   11.6627    0.4205    0.0000 C   0  0
   12.6922    1.5046    0.0000 C   0  0
   12.2658    2.9427    0.0000 C   0  0
   10.8071    3.2925    0.0000 C   0  0
    9.7749    2.2042    0.0000 C   0  0
   10.2013    0.7661    0.0000 C   0  0
   10.3805    4.7314    0.0000 C   0  0
    9.9541    6.1695    0.0000 N   0  0
    8.1512   -5.1321    0.0000 O   0  0
    8.7584   -3.7603    0.0000 C   0  0
    7.2669   -3.9198    0.0000 C   0  0
    6.3831   -2.7078    0.0000 C   0  0
    6.9908   -1.3364    0.0000 C   0  0
    8.4823   -1.1770    0.0000 C   0  0
    9.3661   -2.3890    0.0000 C   0  0
    9.0900    0.1944    0.0000 F   0  0
    6.8618   -4.8340    0.0000 F   0  0
   17.1523   -0.1459    0.0000 S   0  0
   15.8530   -0.8955    0.0000 O   0  0
   18.4516   -0.8955    0.0000 O   0  0
   17.1523    1.3541    0.0000 O   0  0
   17.1523   -1.6459    0.0000 O   0  5
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 13 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 11 25  1  0
  1 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  6
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 30  2  0
 33 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 35  1  0
 38 41  1  0
 41 42  3  0
 27 43  1  1
 27 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 49 44  1  0
 48 50  1  0
 45 51  1  0
 52 53  2  0
 52 54  2  0
 52 55  1  0
 52 56  1  0
M  CHG  2   4   1  56  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12663

> <plate>
PLATE 022

> <well>
D3

> <supplier_cmpd_name>
Isavuconazonium sulfate

> <ctcr_id>
11263

> <supplier_cmpd_id>
T3934

> <smiles>
n1(nc[n+](c1)C(C)OC(=O)N(c1c(cccn1)COC(=O)CNC)C)C[C@]([C@@H](C)c1scc(n1)c1ccc(cc1)C#N)(O)c1c(ccc(c1)F)F.S(=O)(=O)(O)[O-]

> <pd_targets>
{CYP51}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450","Cytochrome P450 family 51","Cytochrome P450 family 51A","Cytochrome P450 51A1"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Isavuconazonium sulfate",Cresemba,946075-13-4,946075134,"Isavuconazonium (sulfate)",BAL-8557-002,BAL8557002,"Isavuconazonium sulfate (USAN)",CHEBI:85977,"946075-13-4 (sulfate)","946075134 (sulfate)"
,UNII-31Q44514JV,UNII31Q44514JV,31Q44514JV,CHEMBL3137333,EX-A1786,EXA1786,AK1820,AKOS030527357,A,T3934}

> <pdid>
PD016177

> <targets>
{inhibits the synthesis of ergosterol,lanosterol 15 alpha-demethylase inhibitor,Fungal}

> <classes>
{Others,Anti-infection}

> <pubchem_cids>
{72196309}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 38  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3000   -2.2500    0.0000 N   0  0
    2.6000   -1.5000    0.0000 C   0  0
    3.9000   -2.2500    0.0000 C   0  0
    5.2000   -1.5000    0.0000 N   0  0
    6.5000   -2.2500    0.0000 C   0  0
    7.8000   -1.5000    0.0000 C   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    6.4969    2.2508    0.0000 C   0  0
    5.1961    2.9994    0.0000 C   0  0
    5.1908    4.4994    0.0000 C   0  0
    3.8892    5.2449    0.0000 C   0  0
    2.5928    4.4904    0.0000 C   0  0
    1.2889    5.2337    0.0000 C   0  0
   -0.0072    4.4769    0.0000 N   0  0
   -1.3115    5.2179    0.0000 C   0  0
   -2.6057    4.4580    0.0000 C   0  0
   -2.5957    2.9572    0.0000 C   0  0
   -3.8900    2.1973    0.0000 N   0  0
   -3.8800    0.6965    0.0000 C   0  0
   -5.1743   -0.0634    0.0000 C   0  0
   -5.1643   -1.5642    0.0000 N   0  0
   -3.8600   -2.3051    0.0000 C   0  0
   -2.5658   -1.5452    0.0000 C   0  0
   -2.5758   -0.0444    0.0000 C   0  0
   -1.2815    0.7155    0.0000 N   0  0
   -1.2915    2.2163    0.0000 C   0  0
    0.0028    2.9761    0.0000 C   0  0
    2.5979    2.9904    0.0000 C   0  0
    3.8996    2.2449    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  1  1  0
 10 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 21  1  0
 19 35  1  0
 35 36  2  0
 36 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12664

> <plate>
PLATE 022

> <well>
D4

> <supplier_cmpd_name>
AMD 3100 octahydrochloride

> <ctcr_id>
1777

> <supplier_cmpd_id>
T1776L

> <smiles>
C1CNCCNCCCN(CCNC1)Cc2ccc(CN3CCCNCCNCCCNCC3)cc2

> <pd_targets>
{KMT2A,MEN1,BLM,CXCR4,ACKR3,CCR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Membrane receptor",Reader,"Family A G protein-coupled receptor",Bromodomain,"Peptide receptor (family A GPCR)","Chemokine receptor","CXC chemokine receptor","CC chemoki
ne receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Chemokine receptors"}

> <pathway_reactome>
{"DNA Repair",Disease,"Signal Transduction","DNA Double-Strand Break Repair","Infectious disease","Signaling by GPCR","Homology Directed Repair","HIV Infection","GPCR ligand binding","HDR through Homo
logous Recombination (HRR) or Single Strand Annealing (SSA)","HIV Life Cycle","Class A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR)","Early Phase of HIV Life Cycle","Pepti
de ligand-binding receptors","Homologous DNA Pairing and Strand Exchange","Binding and entry of HIV virion","Chemokine receptors bind chemokines","Presynaptic phase of homologous DNA pairing and stran
d exchange"}

> <broad_targets>
{ACKR3,CCR4,CXCR4}

> <broad_moa>
{"CC chemokine receptor antagonist"}

> <synonyms>
{Plerixafor,110078-46-1,110078461,Mozobil,AMD3100,"1,4-Bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene","1,4Bis((1,4,8,11tetraazacyclotetradecan1yl)methyl)benzene","Amd 3100","bicyclam JM-29
87","bicyclam JM2987","plerixafor (amd3100)","Plerixafor hydrochloride",AMD-3100,"SDZ SID 791",JM3100,"JM 3100",JM-3100,UNII-S915P549,UNIIS915P549,T1776,T1776L,761388,"AMD 3100 octahydrochloride"}

> <pdid>
PD004078

> <targets>
{}

> <classes>
{"CXCR4 antoginst"}

> <pubchem_cids>
{65015}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 28  0  0  1  0            999 V2000
   12.7120    0.6826    0.0000 C   0  0
   11.2194    0.8311    0.0000 C   0  0
   10.3432   -0.3874    0.0000 C   0  0
    8.8523   -0.2390    0.0000 C   0  0  2  0  0  0
    7.8525   -1.3573    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0  2  0  0  0
    6.6317    0.7404    0.0000 N   0  0
    5.5076    1.7335    0.0000 C   0  0
    8.0978    1.0574    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0  2  0  0  0
    2.6060   -2.9986    0.0000 C   0  0
    1.3096   -3.7531    0.0000 C   0  0
    3.9075   -3.7444    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0031    3.0008    0.0000 S   0  0
    1.3032    3.7490    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9  4  1  0
  6 10  1  1
 10 11  2  0
 10 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  0
 14 16  1  0
 13 17  1  0
 17 18  1  6
 18 19  1  0
 19 20  1  1
 20 21  1  0
 19 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  6
 24 26  1  0
 26 17  1  0
 26 27  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12665

> <plate>
PLATE 022

> <well>
D5

> <supplier_cmpd_name>
Clindamycin HCl

> <ctcr_id>
7242

> <supplier_cmpd_id>
T6448

> <smiles>
CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H](C(C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O

> <pd_targets>
{AMPC,L3MBTL1,ALDH1A1,RPLA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Hydrolase,Reader,Oxidoreductase,"Methyl-lysine/arginine binding protein","MBT domain"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Biological oxidations","Generic Transcription Pathway","Phase I - Functionalization of compounds","Transcriptional Regu
lation by TP53","Ethanol oxidation","Regulation of TP53 Activity","Regulation of TP53 Activity through Methylation"}

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{clindamycin,SCHEMBL22364342,s2830,NCGC00386172-02,NCGC0038617202,AB01274742-01,AB0127474201,AB01274742_02,AB0127474202,AB01274742-02,"AB01274742 02",AB01274742_03,AB0127474203,AB01274742-03,"AB012747
42 03","Clindamycin, Antibiotic for Culture Media Use Only",W-107799,W107799,S2830,"Clindamycin HCl",Clindamycin}

> <pdid>
PD009752

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{53245639}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 31  0  0  0  0            999 V2000
    8.8933    0.7380    0.0000 Na  0  3
    6.3933    0.7380    0.0000 Na  0  3
    1.2948   -3.7516    0.0000 O   0  5
    2.5951   -3.0039    0.0000 S   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5923   -4.5039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 S   0  0
   -6.4773   -3.7652    0.0000 O   0  5
   -9.0751   -3.7791    0.0000 O   0  0
   -7.7722   -4.5220    0.0000 O   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 N   0  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 20 23  2  0
 18 24  1  0
 24 25  2  0
 25 15  1  0
 14 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  CHG  4   1   1   2   1   3  -1  21  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12666

> <plate>
PLATE 022

> <well>
D6

> <supplier_cmpd_name>
Sodium Picosulfate

> <ctcr_id>
3078

> <supplier_cmpd_id>
T6675

> <smiles>
[Na+].[Na+].[O-][S](=O)(=O)Oc1ccc(cc1)C(c2ccc(O[S]([O-])(=O)=O)cc2)c3ccccn3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"sodium picosulfate",10040-45-6,10040456,"Picosulfate sodium",Laxoberon,"Sodium picosulphate",DA-1773,DA1773,UNII-VW106606Y8,UNIIVW106606Y8,Laxoberal,"4,4'-(2-Picolylidene)bis(phenylsulfuric acid) di
sodium salt","4,4'(2Picolylidene)bis(phenylsulfuric acid) disodium salt",Evacuol,"LA 391",Picolax,"Anhydrous Sodium Picosulfat",T6675,S4020,"Sodium Picosulfate"}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{68654,92131819}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

101 95  0  0  1  0            999 V2000
  -11.7062   -0.7230    0.0000 C   0  0  2  0  0  0
  -11.7000    0.7770    0.0000 C   0  0  2  0  0  0
  -10.3978    1.5216    0.0000 C   0  0  1  0  0  0
  -10.3947    3.0224    0.0000 O   0  0
   -9.0938    3.7709    0.0000 C   0  0  2  0  0  0
   -9.0885    5.2709    0.0000 C   0  0  1  0  0  0
   -7.7868    6.0164    0.0000 O   0  0
   -6.4904    5.2618    0.0000 C   0  0  2  0  0  0
   -6.4957    3.7618    0.0000 C   0  0  1  0  0  0
   -7.7973    3.0164    0.0000 C   0  0  1  0  0  0
   -7.8025    1.5164    0.0000 O   0  0
   -5.1970    3.0096    0.0000 O   0  0
   -3.8957    3.7573    0.0000 S   0  0
   -2.5977    3.0054    0.0000 O   0  0
   -3.8930    5.2573    0.0000 O   0  0
   -2.5954    4.5052    0.0000 O   0  5
   -5.1896    6.0104    0.0000 O   0  0
   -5.1865    7.5112    0.0000 C   0  0  1  0  0  0
   -6.4824    8.2666    0.0000 C   0  0  1  0  0  0
   -6.4762    9.7666    0.0000 C   0  0  2  0  0  0
   -5.1741   10.5113    0.0000 C   0  0  2  0  0  0
   -3.8782    9.7559    0.0000 O   0  0
   -3.8843    8.2560    0.0000 C   0  0  2  0  0  0
   -2.5861    7.5029    0.0000 C   0  0
   -1.2844    8.2499    0.0000 O   0  0
    0.0139    7.4969    0.0000 S   0  0
    1.3149    8.2434    0.0000 O   0  0
    0.0104    5.9969    0.0000 O   0  0
    1.3111    6.7436    0.0000 O   0  5
   -5.1710   12.0121    0.0000 O   0  0
   -6.4681   12.7656    0.0000 C   0  0
   -7.7745   10.5197    0.0000 N   0  0
   -9.0762    9.7728    0.0000 S   0  0
  -10.3737   10.5254    0.0000 O   0  0
   -9.0798    8.2728    0.0000 O   0  0
  -10.3769    9.0257    0.0000 O   0  5
   -7.7845    7.5220    0.0000 O   0  0
  -10.3871    6.0233    0.0000 C   0  0
  -11.6878    5.2760    0.0000 O   0  0
  -10.3844    7.5233    0.0000 O   0  5
   -9.1019    0.7662    0.0000 O   0  0
   -9.1081   -0.7338    0.0000 C   0  0  1  0  0  0
  -10.4103   -1.4784    0.0000 C   0  0  1  0  0  0
   -9.8999   -2.8898    0.0000 O   0  0
  -10.8663   -4.0381    0.0000 C   0  0  2  0  0  0
  -12.3427   -3.7725    0.0000 O   0  0
  -13.3109   -4.9182    0.0000 C   0  0  1  0  0  0
  -12.8028   -6.3295    0.0000 C   0  0  2  0  0  0
  -11.3265   -6.5952    0.0000 C   0  0  1  0  0  0
  -10.3583   -5.4495    0.0000 C   0  0  1  0  0  0
   -8.8820   -5.7151    0.0000 O   0  0
  -10.8184   -8.0065    0.0000 O   0  0
  -13.7738   -7.4739    0.0000 O   0  0
  -13.2692   -8.8873    0.0000 C   0  0  2  0  0  0
  -14.2381  -10.0325    0.0000 C   0  0  1  0  0  0
  -13.7310  -11.4441    0.0000 C   0  0  2  0  0  0
  -12.2548  -11.7107    0.0000 C   0  0  1  0  0  0
  -11.2859  -10.5657    0.0000 C   0  0  2  0  0  0
  -11.7931   -9.1540    0.0000 O   0  0
   -9.8095  -10.8354    0.0000 C   0  0
   -9.3041  -12.2486    0.0000 O   0  0
   -7.8277  -12.5184    0.0000 S   0  0
   -7.3225  -13.9308    0.0000 O   0  0
   -6.8568  -11.3750    0.0000 O   0  0
   -6.3520  -12.7873    0.0000 O   0  5
  -11.7477  -13.1224    0.0000 O   0  0
  -14.6999  -12.5892    0.0000 O   0  0
  -15.7145   -9.7627    0.0000 N   0  0
  -16.2200   -8.3496    0.0000 S   0  0
  -17.6956   -8.0800    0.0000 O   0  0
  -15.2492   -7.2062    0.0000 O   0  0
  -16.7246   -6.9370    0.0000 O   0  5
  -14.7885   -4.6555    0.0000 C   0  0
  -15.7551   -5.8026    0.0000 O   0  0
  -15.2991   -3.2450    0.0000 O   0  5
   -7.8099   -1.4869    0.0000 C   0  0
   -6.5082   -0.7401    0.0000 O   0  0
   -5.2100   -1.4932    0.0000 S   0  0
   -3.9089   -0.7468    0.0000 O   0  0
   -5.2136   -2.9932    0.0000 O   0  0
   -3.9129   -2.2465    0.0000 O   0  5
  -12.9981    1.5301    0.0000 N   0  0
  -12.9959    3.0309    0.0000 S   0  0
  -14.2934    3.7837    0.0000 O   0  0
  -11.6956    3.7786    0.0000 O   0  0
  -12.9930    4.5309    0.0000 O   0  5
  -13.0106   -1.4654    0.0000 O   0  0
  -14.3061   -0.7077    0.0000 S   0  0
  -15.6098   -1.4496    0.0000 O   0  0
  -14.2973    0.7923    0.0000 O   0  0
  -15.6006    0.0501    0.0000 O   0  5
   35.4114    1.5061    0.0000 Na  0  3
   32.9114    1.5061    0.0000 Na  0  3
   30.4114    1.5061    0.0000 Na  0  3
   27.9114    1.5061    0.0000 Na  0  3
   25.4114    1.5061    0.0000 Na  0  3
   22.9114    1.5061    0.0000 Na  0  3
   20.4114    1.5061    0.0000 Na  0  3
   17.9114    1.5061    0.0000 Na  0  3
   15.4114    1.5061    0.0000 Na  0  3
   12.9114    1.5061    0.0000 Na  0  3
  1  2  1  0
  2  3  1  0
  3  4  1  1
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  1  1
  9 12  1  6
 12 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
  8 17  1  1
 18 17  1  1
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  1  6
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
 21 30  1  1
 30 31  1  0
 20 32  1  1
 32 33  1  0
 33 34  2  0
 33 35  2  0
 33 36  1  0
 19 37  1  6
  6 38  1  6
 38 39  2  0
 38 40  1  0
  3 41  1  0
 41 42  1  0
 42 43  1  0
 43  1  1  0
 43 44  1  1
 45 44  1  1
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 45  1  0
 50 51  1  6
 49 52  1  1
 48 53  1  6
 54 53  1  1
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 54  1  0
 58 60  1  6
 60 61  1  0
 61 62  1  0
 62 63  2  0
 62 64  2  0
 62 65  1  0
 57 66  1  1
 56 67  1  6
 55 68  1  1
 68 69  1  0
 69 70  2  0
 69 71  2  0
 69 72  1  0
 47 73  1  1
 73 74  2  0
 73 75  1  0
 42 76  1  6
 76 77  1  0
 77 78  1  0
 78 79  2  0
 78 80  2  0
 78 81  1  0
  2 82  1  1
 82 83  1  0
 83 84  2  0
 83 85  2  0
 83 86  1  0
  1 87  1  6
 87 88  1  0
 88 89  2  0
 88 90  2  0
 88 91  1  0
M  CHG  8  16  -1  29  -1  36  -1  40  -1  65  -1  72  -1  75  -1  81  -1
M  CHG  8  86  -1  91  -1  92   1  93   1  94   1  95   1  96   1  97   1
M  CHG  4  98   1  99   1 100   1 101   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12667

> <plate>
PLATE 022

> <well>
D7

> <supplier_cmpd_name>
Fondaparinux sodium

> <ctcr_id>
11264

> <supplier_cmpd_id>
T4076

> <smiles>
[C@H]1([C@H]([C@@H](O[C@@H]2[C@@H](O[C@H]([C@@H]([C@H]2O)OS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2COS(=O)(=O)[O-])OC)NS(=O)(=O)[O-])O)C(=O)[O-])O[C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]
1O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])C(=O)[O-])COS(=O)(=O)[O-])NS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Fondaparinux sodium",Arixtra,114870-03-0,114870030,Quixidar,UNII-X0Q6N9USOZ,UNIIX0Q6N9USOZ,"Org 31540","SR 90107A",SR-90107A,SR90107A,X0Q6N9USOZ,"Fondaparinux sodium for assay",Org-31540,Org31540,"F
ondaparinux sodium identification","Fondaparin sodium",Xantidar,"Arixtra (TN)",T4076}

> <pdid>

> <targets>
{"Factor Xa"}

> <classes>
{Metabolism}

> <pubchem_cids>
{636380}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -3.8974   -0.7525    0.0000 C   0  0
   -3.0315   -1.2526    0.0000 O   0  0
   -5.1971   -1.5031    0.0000 O   0  0
   -5.1979   -3.0031    0.0000 C   0  0
   -6.5018    3.7420    0.0000 O   0  0
   -7.7986    2.9880    0.0000 C   0  0
   -3.5923    5.2153    0.0000 O   0  0
   -2.1008    5.3745    0.0000 C   0  0
   -1.4885    4.0052    0.0000 O   0  0
    0.3114    2.9665    0.0000 O   0  0
    1.8032    3.1233    0.0000 C   0  0
    2.4133    1.7530    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 14 21  1  0
 21 22  1  0
 13 23  1  0
 23 24  1  0
 24 25  1  0
 25 12  1  0
  5 26  1  0
 26 27  1  0
 27 28  1  0
 28  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12668

> <plate>
PLATE 022

> <well>
D8

> <supplier_cmpd_name>
Bicyclol

> <ctcr_id>
11265

> <supplier_cmpd_id>
T4121

> <smiles>
COc1c2c(c(c(c1)CO)c1c3c(c(cc1C(=O)OC)OC)OCO3)OCO2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{HSPA1A,HSPB1}

> <broad_moa>
{"NFkB pathway inhibitor"}

> <synonyms>
{118159-48-1,118159481,"118159 48 1",UNII-9734122TH2,UNII9734122TH2,"UNII 9734122TH2",9734122TH2,"Bicyclol (WHO-DD)","Bicyclol (WHODD)","Bicyclol (WHO DD)","SY 801",CHEMBL482035,SCHEMBL9600725,"Bicycl
ol, >=98 (HPLC)",AOB5351,DTXSID30152026,BCP25554,HY-B0766,HYB0766,"HY B0766",ZINC2012988,2966AA,ANW-70752,ANW70752,"ANW 70752",s6453,AS-16866,AS16866,"AS 16866",J-003718,J003718,"J 003718",Q27271958,T
4121,Bicyclol}

> <pdid>
PD041447

> <targets>
{HBV}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{9821754}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  1  0            999 V2000
    0.9488    0.0000    0.0000 C   0  0
    1.8975   -0.8028    0.0000 C   0  0
    1.6421    0.6933    0.0000 C   0  0  2  0  0  0
    0.0000    0.6568    0.0000 N   0  0
   -1.0947    1.4779    0.0000 C   0  0
   -0.8393    0.0000    0.0000 C   0  0  2  0  0  0
   -1.8063   -1.3319    0.0000 N   0  0
   -0.6568   -0.6386    0.0000 C   0  0
    0.4421   -1.6596    0.0000 O   0  0
   -2.9361   -2.2985    0.0000 O   0  0
   -2.6608   -3.7738    0.0000 S   0  0
   -3.7995   -4.7502    0.0000 O   0  0
   -1.2460   -4.2723    0.0000 O   0  0
   -2.3848   -5.2482    0.0000 O   0  5
    2.6055    1.8369    0.0000 C   0  0
    2.0968    3.2480    0.0000 O   0  0
    4.0820    1.5723    0.0000 N   0  0
    6.5827   -1.0001    0.0000 Na  0  3
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  6  5  1  1
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  8  9  2  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
  3 15  1  6
 15 16  2  0
 15 17  1  0
M  CHG  2  14  -1  18   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12669

> <plate>
PLATE 022

> <well>
D9

> <supplier_cmpd_name>
Avibactam sodium

> <ctcr_id>
11266

> <supplier_cmpd_id>
T4201

> <smiles>
C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Avibactam sodium",1192491-61-4,1192491614,"Avibactam (sodium)",NXL-104,NXL104,UNII-9V824P8TAI,UNII9V824P8TAI,"Avibactam Sodium Salt","NXL 104",CHEBI:85982,AVE-1330A,AVE1330A,9V824P8TAI,"Sodium (2S,5
R)-2-carbamoyl-7-oxo-1,6-diazabicyclo(3.2.1)octan-6-yl sulfate","Sodium (2S,5R)2carbamoyl7oxo1,6diazabicyclo(3.2.1)octan6yl sulfate","1192491-61-4 (","1192491614 (",T4201}

> <pdid>

> <targets>
{CTX-M-15,"KPC-2 ¦Â-lactamases","P99 ¦Â-lactamases","TEM-1 ¦Â-lactamases"}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{24944097}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    5.1912   -4.5090    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -5.1971    2.9990    0.0000 C   0  0
   -6.4977    3.7464    0.0000 C   0  0
   -6.5007    5.2464    0.0000 C   0  0
   -5.2032    5.9990    0.0000 C   0  0
   -3.9027    5.2517    0.0000 C   0  0
   -2.6060    6.0074    0.0000 C   0  0
   -1.3041    5.2624    0.0000 O   0  0
   -2.6113    7.5082    0.0000 N   0  0
   -1.3146    8.2640    0.0000 C   0  0
   -1.3199    9.7648    0.0000 C   0  0
   -0.0239   10.5202    0.0000 O   0  0
   -2.6217   10.5099    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12670

> <plate>
PLATE 022

> <well>
D10

> <supplier_cmpd_name>
Sivelestat

> <ctcr_id>
11267

> <supplier_cmpd_id>
T6986

> <smiles>
CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(=O)O

> <pd_targets>
{ELANE,PRTN3,CELA1,CELA2A}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease PA clan","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PA: Serine (S) Peptidases","S1: Chymotrypsin"}

> <pathway_reactome>
{"Immune System","Innate Immune System","Cytokine Signaling in Immune system","Complement cascade","Signaling by Interleukins","Regulation of Complement cascade","Other interleukin signaling"}

> <broad_targets>
{CELA1,ELANE}

> <broad_moa>
{"elastase inhibitor"}

> <synonyms>
{Sivelestat,127373-66-4,127373664,Ono-5046,Ono5046,ONO5046,LY544349,"Sivelestat (ONO-5046)","Sivelestat (ONO5046)",UNII-DWI62G0P59,UNIIDWI62G0P59,"Sivelestat  free acid",C20H22N2O7S,EI546,CHEMBL76688,
DWI62G0P59,"127373-66-4 (free acid)","127373664 (free acid)",EI546;LY544349;ONO5046,2-(2-(4-(pivaloyloxy)phenylsulfonamido)b,2(2(4(pivaloyloxy)phenylsulfonamido)b,T6986}

> <pdid>
PD014273

> <targets>
{"neutrophil elastase"}

> <classes>
{Proteases/Proteasome}

> <pubchem_cids>
{107706}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 95 99  0  0  1  0            999 V2000
   -7.2473  -13.3378    0.0000 C   0  0
   -8.7153  -13.0296    0.0000 C   0  0
   -9.0264  -12.0792    0.0000 C   0  0
   -9.7174  -14.1468    0.0000 C   0  0
  -11.1862  -13.8384    0.0000 C   0  0  1  0  0  0
  -12.1896  -14.9545    0.0000 C   0  0
  -13.6570  -14.6433    0.0000 O   0  0
  -11.7257  -16.3818    0.0000 N   0  0
  -12.7291  -17.4979    0.0000 C   0  0  1  0  0  0
  -14.1966  -17.1835    0.0000 C   0  0
  -14.6590  -15.7557    0.0000 C   0  0
  -16.1265  -15.4413    0.0000 C   0  0
  -16.5889  -14.0135    0.0000 N   0  0
  -18.0564  -13.6991    0.0000 C   0  0
  -18.5186  -12.2721    0.0000 N   0  0
  -19.0616  -14.8125    0.0000 N   0  0
  -12.2651  -18.9253    0.0000 C   0  0
  -10.7977  -19.2365    0.0000 O   0  0
  -13.2685  -20.0414    0.0000 N   0  0
  -14.7454  -19.8664    0.0000 C   0  0
  -15.3573  -21.2360    0.0000 C   0  0
  -14.2439  -22.2411    0.0000 C   0  0
  -12.9439  -21.4927    0.0000 C   0  0  1  0  0  0
  -11.5701  -22.0905    0.0000 C   0  0
  -10.3643  -21.1982    0.0000 O   0  0
  -11.3997  -23.5816    0.0000 N   0  0
  -10.0235  -24.1805    0.0000 N   0  0
   -9.8531  -25.6716    0.0000 C   0  0
   -8.4777  -26.2702    0.0000 O   0  0
  -11.0589  -26.5639    0.0000 N   0  0
  -11.6502  -12.4111    0.0000 N   0  0
  -10.6468  -11.2950    0.0000 C   0  0
   -9.6686  -11.5025    0.0000 O   0  0
  -11.1108   -9.8677    0.0000 C   0  0  1  0  0  0
  -12.5783   -9.5533    0.0000 C   0  0
  -13.0407   -8.1255    0.0000 O   0  0
  -14.5083   -7.8111    0.0000 C   0  0
  -14.9704   -6.3841    0.0000 C   0  0
  -15.9751   -7.4976    0.0000 C   0  0
  -15.5134   -8.9245    0.0000 C   0  0
  -10.1074   -8.7516    0.0000 N   0  0
  -10.5714   -7.3243    0.0000 C   0  0
  -12.0387   -7.0131    0.0000 O   0  0
   -9.5680   -6.2082    0.0000 C   0  0  2  0  0  0
   -8.0992   -6.5166    0.0000 C   0  0
   -7.0970   -5.3994    0.0000 C   0  0
   -7.5602   -3.9726    0.0000 C   0  0
   -6.5564   -2.8581    0.0000 C   0  0
   -5.0892   -3.1702    0.0000 C   0  0
   -4.6259   -4.5968    0.0000 C   0  0
   -5.6298   -5.7114    0.0000 C   0  0
   -4.0853   -2.0556    0.0000 O   0  0
  -10.0320   -4.7809    0.0000 N   0  0
   -9.0286   -3.6648    0.0000 C   0  0
   -8.0503   -3.8723    0.0000 O   0  0
   -9.4925   -2.2375    0.0000 C   0  0  2  0  0  0
  -10.9601   -1.9231    0.0000 C   0  0
  -11.4222   -0.4961    0.0000 O   0  0
   -8.4892   -1.1214    0.0000 N   0  0
   -8.9531    0.3059    0.0000 C   0  0
  -10.4205    0.6171    0.0000 O   0  0
   -7.9497    1.4220    0.0000 C   0  0  2  0  0  0
   -6.4809    1.1137    0.0000 C   0  0
   -5.4805    2.2289    0.0000 C   0  0
   -5.7978    3.6950    0.0000 C   0  0
   -4.5016    4.4499    0.0000 N   0  0
   -3.3839    3.4507    0.0000 C   0  0
   -1.8927    3.6131    0.0000 C   0  0
   -1.0065    2.4029    0.0000 C   0  0
   -1.6115    1.0303    0.0000 C   0  0
   -3.1027    0.8679    0.0000 C   0  0
   -3.9889    2.0781    0.0000 C   0  0
   -8.4137    2.8493    0.0000 N   0  0
   -7.4103    3.9654    0.0000 C   0  0
   -6.4321    3.7579    0.0000 O   0  0
   -7.8743    5.3927    0.0000 C   0  0  2  0  0  0
   -9.3418    5.7071    0.0000 C   0  0
   -9.8042    7.1349    0.0000 C   0  0
  -11.2227    7.5820    0.0000 C   0  0
  -11.2182    9.0820    0.0000 N   0  0
   -9.7902    9.5412    0.0000 C   0  0
   -8.9122    8.3250    0.0000 N   0  0
   -6.8709    6.5088    0.0000 N   0  0
   -7.3349    7.9361    0.0000 C   0  0
   -8.3131    8.1436    0.0000 O   0  0
   -6.3315    9.0522    0.0000 C   0  0  2  0  0  0
   -6.6561   10.5036    0.0000 C   0  0
   -5.3561   11.2520    0.0000 C   0  0
   -4.2427   10.2468    0.0000 C   0  0
   -2.7750   10.5568    0.0000 O   0  0
   -4.8545    8.8773    0.0000 N   0  0
   13.0680   -7.2820    0.0000 C   0  0
   13.0680   -8.7820    0.0000 C   0  0
   11.7687   -9.5316    0.0000 O   0  0
   14.3672   -9.5316    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  2  0
  6  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 14 16  1  0
  9 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 19  1  0
 23 24  1  6
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
  5 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  1
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 34 41  1  0
 41 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  1
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 50 51  2  0
 51 46  1  0
 49 52  1  0
 44 53  1  0
 53 54  1  0
 54 55  2  0
 54 56  1  0
 56 57  1  6
 57 58  1  0
 56 59  1  0
 59 60  1  0
 60 61  2  0
 60 62  1  0
 62 63  1  1
 63 64  1  0
 64 65  2  0
 65 66  1  0
 66 67  1  0
 67 68  2  0
 68 69  1  0
 69 70  2  0
 70 71  1  0
 71 72  2  0
 72 64  1  0
 72 67  1  0
 62 73  1  0
 73 74  1  0
 74 75  2  0
 74 76  1  0
 76 77  1  6
 77 78  1  0
 78 79  2  0
 79 80  1  0
 80 81  2  0
 81 82  1  0
 82 78  1  0
 76 83  1  0
 83 84  1  0
 84 85  2  0
 86 84  1  6
 86 87  1  0
 87 88  1  0
 88 89  1  0
 89 90  2  0
 89 91  1  0
 91 86  1  0
 92 93  1  0
 93 94  2  0
 93 95  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12671

> <plate>
PLATE 022

> <well>
D11

> <supplier_cmpd_name>
Goserelin acetate

> <ctcr_id>
11268

> <supplier_cmpd_id>
T4102

> <smiles>
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC
C(=O)N1.CC(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Goserelin acetate",145781-92-6,145781926,"Goserelin (acetate)",UNII-6YUU2PV0U8,UNII6YUU2PV0U8,6YUU2PV0U8,"145781-92-6 (acetate)","145781926 (acetate)",Fertilan,DSSTox_CID_26736,DSSToxCID26736,DSSTox
-CID-26736,"DSSTox CID 26736",DSSTox_RID_81865,DSSToxRID81865,DSSTox-RID-81865,"DSSTox RID 81865",DSSTox_GSID_46736,DSSToxGSID46736,DSSTox-GSID-46736,"DSSTox GSID 46736",CAS-145781-92-6,CAS145781926,M
FCD01747329,Novgos,"Zoladex LA","Zoladex (TN)",Gose,T4102}

> <pdid>

> <targets>
{GNRHR,Apoptosis,GnRH Receptor}

> <classes>
{GPCR/G Protein,Apoptosis}

> <pubchem_cids>
{16052011}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1950   -3.0115    0.0000 C   0  0
    6.4915   -3.7659    0.0000 C   0  0
    7.7931   -3.0204    0.0000 O   0  0
    6.4864   -5.2659    0.0000 N   0  0
    5.1848   -6.0115    0.0000 C   0  0
    5.1797   -7.5115    0.0000 O   0  0
    3.8883   -5.2570    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  4  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12672

> <plate>
PLATE 022

> <well>
E2

> <supplier_cmpd_name>
Dexrazoxane HCl

> <ctcr_id>
431

> <supplier_cmpd_id>
T6467

> <smiles>
C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2

> <pd_targets>
{TOP2A,REP,LMNA}

> <pathway_gtopdb>
{Enzyme,Isomerase,"Other nuclear protein",Transferase}

> <pathway_chembl>
{Enzymes,"DNA topoisomerases","Other protein targets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G1 phase and G1/S transition","G0 and Early G1","Transcription of E2F targets under negative control by DREAM complex",Disease,"Infectious disease","SARS-CoV Infections"
,"M Phase","SARS-CoV-2 Infection","Mitotic Metaphase and Anaphase","SARS-CoV-2 Genome Replication and Transcription","Mitotic Anaphase","Replication of the SARS-CoV-2 genome","Nuclear Envelope (NE) Re
assembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TOP2A,TOP2B}

> <broad_moa>
{"chelating agent","topoisomerase inhibitor"}

> <synonyms>
{24613-06-7,24613067,"Razoxane, (R)-","Razoxane, (R)",ICRF-186,ICRF186,UNII-GGX7PSE8Z2,UNIIGGX7PSE8Z2,NSC169779,GGX7PSE8Z2,"(S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE","(S)4,4'(1METHYL1
,2ETHANEDIYL)BIS2,6PIPERAZINEDIONE",NSC-169779,"(R)-4,4'-(propane-1,2-diyl)bis(piperazine-2,6-dione)","(R)4,4'(propane1,2diyl)bis(piperazine2,6dione)",Levrazoxane,NCIMech_000085,NCIMech000085,NCIMech-
000085,"NCIMech 000085",NCIMech_000121,NCIMech000121,NCIMech-000121,"NCIMech 000121",T6467,"NSC 169779","Dexrazoxane HCl","ICRF 186"}

> <pdid>
PD000493

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{298076}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  1  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    1.3000   -0.7500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
    5.1005   -3.8709    0.0000 C   0  0
    6.1021   -2.7543    0.0000 C   0  0
    7.1043   -1.6371    0.0000 C   0  0
    6.6387   -0.2103    0.0000 N   0  0
    7.6392    0.9050    0.0000 C   0  0  2  0  0  0
    9.1310    0.7482    0.0000 C   0  0
    9.7411    2.1185    0.0000 C   0  0
    8.6268    3.1215    0.0000 C   0  0
    8.6267    4.6215    0.0000 C   0  0
    7.3277    5.3715    0.0000 C   0  0
    6.0287    4.6215    0.0000 C   0  0
    6.0287    3.1215    0.0000 C   0  0
    7.3277    2.3715    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  2  5  2  0
  6  7  3  0
  7  8  1  0
  8  9  1  0
 10  9  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 10  1  0
 18 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12673

> <plate>
PLATE 022

> <well>
E3

> <supplier_cmpd_name>
Rasagiline Mesylate

> <ctcr_id>
7169

> <supplier_cmpd_id>
T6962

> <smiles>
C[S](O)(=O)=O.C#CCN[C@@H]1CCc2ccccc12

> <pd_targets>
{MAOA,MAOB,ACHE,BCHE,BCL2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Oxidoreductase,Hydrolase,"Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Catecholamine turnover","Acetylcholine turnover","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{Metabolism,"Immune System","Biological oxidations","Metabolism of lipids","Innate Immune System","Phase I - Functionalization of compounds","Phospholipid metabolism","Nucleotide-binding domain","leuc
ine rich repeat containing receptor (NLR) signaling pathways","Amine Oxidase reactions","Glycerophospholipid biosynthesis",Inflammasomes,"Biogenic amines are oxidatively deaminated to aldehydes by MAO
A and MAOB","Synthesis of PC","The NLRP1 inflammasome"}

> <broad_targets>
{BCL2,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{"Rasagiline mesylate",161735-79-1,161735791,Azilect,"Rasagiline mesilate",TVP-1012,TVP1012,"(R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine methanesulfonate","(R)N(Prop2yn1yl)2,3dihydro1Hinden1am
ine methanesulfonate","Rasagiline (mesylate)","Rasagiline mesylate (USAN)",UNII-LH8C2JI290,UNIILH8C2JI290,MFCD08460604,LH8C2JI290,"TV 1012",NC,S2102,"Rasagiline Mesylate"}

> <pdid>
PD006676

> <targets>
{MAO}

> <classes>
{}

> <pubchem_cids>
{3052775}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -2.5497    4.4223    0.0000 S   0  0
   -1.7974    5.7210    0.0000 C   0  0
   -2.5451    7.0223    0.0000 C   0  0
   -1.7928    8.3210    0.0000 N   0  0
   -2.5383    9.6227    0.0000 C   0  0
   -1.7838   10.9191    0.0000 C   0  0
   -0.2838   10.9139    0.0000 O   0  0
    0.4617    9.6123    0.0000 C   0  0
   -0.2928    8.3159    0.0000 C   0  0
    6.3933    3.5811    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12  6  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12674

> <plate>
PLATE 022

> <well>
E4

> <supplier_cmpd_name>
Afobazole hydrochloride

> <ctcr_id>
11269

> <supplier_cmpd_id>
T4093

> <smiles>
CCOc1cc2c(cc1)nc([nH]2)SCCN1CCOCC1.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{anxiolytic}

> <synonyms>
{"Afobazole hydrochloride",173352-39-1,173352391,"Fabomotizole hydrochloride",UNII-HDO6HX6NZU,UNIIHDO6HX6NZU,"Afobazol HCl","Fabomotizole (hydrochloride)",HDO6HX6NZU,Aphobazole,Afobazol,Fabomotizole?h
ydrochloride,"CM 346 HCl","CM-346 HCl","CM346 HCl",DTXSID50938369,B,T4093}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{9862936}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 50 55  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.9040   -1.5957    0.0000 C   0  0
   -4.7856   -2.8092    0.0000 C   0  0
   -4.1755   -4.1795    0.0000 C   0  0
   -2.6837   -4.3363    0.0000 C   0  0
    1.1384   -2.6339    0.0000 C   0  0
    1.6026   -1.2066    0.0000 C   0  0
    3.0706   -0.8941    0.0000 C   0  0
    3.5348    0.5331    0.0000 C   0  0
    5.0027    0.8456    0.0000 N   0  0
    5.4688    2.2714    0.0000 C   0  0
    6.9365    2.5807    0.0000 C   0  0
    7.9383    1.4643    0.0000 C   0  0
    7.4723    0.0385    0.0000 C   0  0
    6.0046   -0.2708    0.0000 C   0  0
    9.4075    1.7708    0.0000 N   0  0
   10.4083    0.6523    0.0000 C   0  0
    9.9398   -0.7727    0.0000 O   0  0
   11.8775    0.9588    0.0000 C   0  0
   12.8793   -0.1576    0.0000 C   0  0
   14.3471    0.1517    0.0000 C   0  0
   14.8131    1.5775    0.0000 C   0  0
   13.8113    2.6939    0.0000 C   0  0
   12.3436    2.3846    0.0000 C   0  0
   12.4131   -1.5841    0.0000 C   0  0
   10.9458   -1.8959    0.0000 C   0  0
   10.4821   -3.3224    0.0000 C   0  0
   11.4856   -4.4373    0.0000 C   0  0
   12.9529   -4.1256    0.0000 C   0  0
   13.4166   -2.6991    0.0000 C   0  0
   11.0216   -5.8646    0.0000 C   0  0
    9.5546   -6.1772    0.0000 F   0  0
   12.0255   -6.9791    0.0000 F   0  0
   10.5586   -7.2913    0.0000 F   0  0
   -0.7934   -4.3741    0.0000 C   0  0
   -2.2608   -4.6855    0.0000 O   0  0
    0.2101   -5.4901    0.0000 N   0  0
   -0.2537   -6.9174    0.0000 C   0  0
    0.7498   -8.0334    0.0000 C   0  0
    0.2863   -9.4600    0.0000 F   0  0
    2.2172   -7.7220    0.0000 F   0  0
    1.7534   -9.1483    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9  5  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  7 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 21 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 28 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 36 39  1  0
 39 40  1  0
 39 41  1  0
 39 42  1  0
  7 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 47 49  1  0
 47 50  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12675

> <plate>
PLATE 022

> <well>
E5

> <supplier_cmpd_name>
Lomitapide

> <ctcr_id>
11270

> <supplier_cmpd_id>
T6267

> <smiles>
c1cccc2c1C(c1c2cccc1)(CCCCN1CCC(CC1)NC(=O)c1c(cccc1)c1ccc(cc1)C(F)(F)F)C(=O)NCC(F)(F)F

> <pd_targets>
{MTTP,P4HB}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,Isomerase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Transport of small molecules","Plasma lipoprotein assembly",remodeling,"and clearance","Chylomicron assembly"}

> <broad_targets>
{MTTP}

> <broad_moa>
{"microsomal trigylceride transfer protein inhibitor"}

> <synonyms>
{Lomitapide,182431-12-5,182431125,"182431 12 5",AEGR-733,AEGR733,"AEGR 733",BMS-201038,BMS201038,"BMS 201038",Lojuxta,Juxtapid,"Lomitapide free base",UNII-82KUB0583F,UNII82KUB0583F,"UNII 82KUB0583F",A
EGR-733(Lomitapide),AEGR733(Lomitapide),"AEGR 733(Lomitapide)",AEGR-733;BMS-201038,AEGR733;BMS201038,"AEGR 733;BMS 201038",CHEMBL354541,CHEBI:72297,82KUB0583F,"182431-12-5 (free base)","182431125 (fre
e base)","182431 12 5 (free base)",T6267}

> <pdid>
PD009190

> <targets>
{MTP}

> <classes>
{Metabolism}

> <pubchem_cids>
{9853053}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 47 52  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.9792    5.0003    0.0000 C   0  0
    2.7246    3.6987    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1884   -2.6409    0.0000 C   0  0  2  0  0  0
   -4.5650   -3.1911    0.0000 C   0  0
   -4.4475   -4.6865    0.0000 C   0  0  2  0  0  0
   -5.5889   -5.6570    0.0000 C   0  0
   -7.0021   -5.1541    0.0000 O   0  0
   -2.9890   -5.0368    0.0000 C   0  0
   -2.2051   -3.7579    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   14.8255   -1.5000    0.0000 N   0  0
   13.5265   -0.7500    0.0000 C   0  0
   13.5264    0.7500    0.0000 N   0  0
   12.2274    1.5000    0.0000 C   0  0
   12.2305    3.0008    0.0000 N   0  0
   13.5313    3.7494    0.0000 C   0  0
   14.2066    5.0003    0.0000 C   0  0
   14.9520    3.6987    0.0000 C   0  0
   10.9284    0.7500    0.0000 C   0  0
    9.5026    1.2135    0.0000 N   0  0
    8.6210    0.0000    0.0000 C   0  0
    9.5026   -1.2135    0.0000 N   0  0
    9.0390   -2.6409    0.0000 C   0  0  2  0  0  0
    7.6624   -3.1911    0.0000 C   0  0
    7.7799   -4.6865    0.0000 C   0  0  2  0  0  0
    6.6385   -5.6570    0.0000 C   0  0
    5.2253   -5.1541    0.0000 O   0  0
    9.2384   -5.0368    0.0000 C   0  0
   10.0223   -3.7579    0.0000 C   0  0
   10.9284   -0.7500    0.0000 C   0  0
   12.2274   -1.5000    0.0000 N   0  0
   18.7520    1.1717    0.0000 O   0  0
   18.7520   -0.3283    0.0000 S   0  0
   18.7520   -1.8283    0.0000 O   0  0
   17.4527   -1.0779    0.0000 O   0  0
   20.0512   -1.0779    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  6  1  0
  4  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 13 12  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  1
 16 17  1  0
 15 18  1  0
 18 19  2  3
 19 13  1  0
 12 20  1  0
 20  9  1  0
 20 21  2  0
 21  2  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 27  1  0
 25 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 34 33  1  1
 34 35  1  0
 35 36  1  0
 36 37  1  1
 37 38  1  0
 36 39  1  0
 39 40  2  3
 40 34  1  0
 33 41  1  0
 41 30  1  0
 41 42  2  0
 42 23  1  0
 43 44  1  0
 44 45  1  0
 44 46  2  0
 44 47  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12676

> <plate>
PLATE 022

> <well>
E6

> <supplier_cmpd_name>
Abacavir sulfate

> <ctcr_id>
1349

> <supplier_cmpd_id>
T6367

> <smiles>
Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1.Nc5nc(NC6CC6)c7ncn([C@@H]8C[C@H](CO)C=C8)c7n5.O[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW151,"Abacavir sulfate",188062-50-2,188062502,Ziagen,"1592U89 sulfate","Abacavir sulphate",UNII-J220T4J9Q2,UNIIJ220T4J9Q2,J220T4J9Q2,"188062-50-2 (sulfate)","188062502 (sulfate)","Abacavir (sulfa
te)","Abacavir Hemisulfate",136777-48-5,136777485,"Abacavir sulfate (USAN:USP)","HSDB 7154",DRG-0257,DRG0257,"Ziagen (",T6367,Prestw-1512,"Abacavir Sulfate"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{441384}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.9400   -2.9240    0.0000 C   0  0
    4.3895   -2.5380    0.0000 C   0  0
    4.0035   -1.0885    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -2.5000    0.0000 Cl  0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -6.4964    0.7459    0.0000 O   0  0
   -5.2010    2.9977    0.0000 O   0  0
   -2.5981   -3.0008    0.0000 C   0  0
   -3.8983   -3.7488    0.0000 N   0  0
   -3.9007   -5.2488    0.0000 C   0  0
   -2.6028   -6.0009    0.0000 C   0  0
   -1.3026   -5.2529    0.0000 C   0  0
   -1.3002   -3.7529    0.0000 C   0  0
   -0.4334   -3.2543    0.0000 F   0  0
   -2.6052   -7.5009    0.0000 F   0  0
   -5.2009   -5.9968    0.0000 N   0  0
    2.5981    1.5000    0.0000 F   0  0
    5.6873   -3.2901    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  1  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15  8  1  0
 15 16  2  0
 14 17  1  0
 17 18  2  0
 17 19  1  0
 12 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 23 27  1  0
 22 28  1  0
  6 29  1  0
  2 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12677

> <plate>
PLATE 022

> <well>
E7

> <supplier_cmpd_name>
Delafloxacin

> <ctcr_id>
11271

> <supplier_cmpd_id>
T4063

> <smiles>
C1C(CN1c1c(cc2c(c1Cl)n(cc(c2=O)C(=O)O)c1nc(c(cc1F)F)N)F)O

> <pd_targets>
{PARC,GYRA,GYRB,PARE}

> <pathway_gtopdb>
{Enzyme,Isomerase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"antiinfective drug"}

> <synonyms>
{Delafloxacin,189279-58-1,189279581,ABT-492,ABT492,Baxdela,WQ-3034,WQ3034,"Abt 492",RX-3341,RX3341,UNII-6315412YVF,UNII6315412YVF,"189279-58-1 (free acid","189279581 (free acid",6315412YVF,"Delafloxac
in (USAN:INN)",Delafloxacinum,Quofenix,"Delafloxacin (USAN)","Abbott 492",DelafloxacinABT-492,DelafloxacinABT492,C18H12ClF3N,T4063}

> <pdid>
PD044134

> <targets>
{Bacterial}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{487101}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    6.3982    3.5181    0.0000 Na  0  3
    3.8976   -0.7553    0.0000 O   0  5
    2.5973   -1.5031    0.0000 N   0  3
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.8211    4.6570    0.0000 C   0  0
   -6.3142    4.8094    0.0000 N   0  0
   -6.9296    6.1782    0.0000 N   0  0
   -6.1728    7.4585    0.0000 C   0  0
   -7.1783    8.5716    0.0000 C   0  0
   -6.8688   10.0393    0.0000 O   0  0
   -8.5476    7.9593    0.0000 N   0  5
   -8.3884    6.4677    0.0000 C   0  0
   -9.4955    5.4557    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  2  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
M  CHG  4   1   1   2  -1   3   1  22  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12678

> <plate>
PLATE 022

> <well>
E8

> <supplier_cmpd_name>
Dantrolene sodium hemiheptahydrate

> <ctcr_id>
2658

> <supplier_cmpd_id>
T4054

> <smiles>
[Na+].[O-][N+](=O)c1ccc(cc1)c2oc(cc2)\C=N\N3CC(=O)[N-]C3=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Dantrolene sodium salt","DANTROLENE SODIUM",Dantrium,"Dantrolene, Sodium Salt",14663-23-1,14663231,"Dantrolene (sodium)",UNII-28F0G1E0VF,UNII28F0G1E0VF,"Dantrolene Sodium (anhydrous)","Dantrolene so
dium anhydrous",1-((5-(p-Nitrophenyl)furfurylidene)amino)hy,1((5(pNitrophenyl)furfurylidene)amino)hy,T4054,T0077,1503209,Prestw-291,"Dantrolene sodium hemiheptahydrate"}

> <pdid>
PD001049

> <targets>
{}

> <classes>
{"muscle relaxant (skeletal)"}

> <pubchem_cids>
{6604100,13271066,73896913}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 37  0  0  0  0            999 V2000
   15.1253    0.0032    0.0000 O   0  0
   12.6253    0.0032    0.0000 O   0  0
   10.1253    0.0032    0.0000 O   0  0
    7.6253    0.0032    0.0000 Cl  0  0
    5.1250    4.3735    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 N   0  0
    2.7248   -1.2135    0.0000 C   0  0
    3.1882   -2.6401    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3042    3.7556    0.0000 O   0  0
   -1.3088    5.2564    0.0000 C   0  0
   -0.0126    6.0112    0.0000 C   0  0
   -6.4955    0.7438    0.0000 S   0  0
   -7.7955    1.4922    0.0000 O   0  0
   -6.4976    2.2438    0.0000 O   0  0
   -6.4940   -0.7570    0.0000 N   0  0
   -7.7924   -1.5082    0.0000 C   0  0
   -7.7909   -3.0082    0.0000 C   0  0
   -6.4912   -3.7570    0.0000 N   0  0
   -6.4867   -5.2578    0.0000 C   0  0
   -5.1858   -6.0047    0.0000 C   0  0
   -5.1929   -3.0058    0.0000 C   0  0
   -5.1943   -1.5058    0.0000 C   0  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 12  1  0
 17 18  2  0
 15 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 21 28  1  0
 28 29  2  0
 28 30  2  0
 28 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 34 37  1  0
 37 38  1  0
 38 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12679

> <plate>
PLATE 022

> <well>
E9

> <supplier_cmpd_name>
Vardenafil hydrochloride trihydrate

> <ctcr_id>
6408

> <supplier_cmpd_id>
T4097

> <smiles>
O.O.O.Cl.CCCc1nc(C)c2n1NC(=NC2=O)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(CC)CC4

> <pd_targets>
{PDE1A,PDE1B,PDE5A,GPCPD1,PLIN1,PDE11A,CFTR,PDE7A,PDE7B,HNF4A,PDE6A,PDE6B,PDE6C,PDE6D,PDE6G,PDE6H,PDE3A,PDE3B,PDE9A,KCNH2,PDE2A,PDE10A,PDE8A,PLIN5,PDE4A,PDE4B,PDE4C,PDE4D,PDE1C,KCND3,CACNA1C}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Phosphodiesterase,"Other ion channel","Voltage-gated ion channel","Phosphodiesterase 1","Phosphodiesterase 5","Phosphodiesterase 11","Chloride channel","Ph
osphodiesterase 7","Phosphodiesterase 6","Phosphodiesterase 3","Phosphodiesterase 9","Potassium channels","Phosphodiesterase 2","Phosphodiesterase 10","Phosphodiesterase 8","Phosphodiesterase 4","Volt
age-gated calcium channel","Phosphodiesterase 1A","Phosphodiesterase 5A","Phosphodiesterase 11A","Cystic fibrosis transmembrane conductance regulator","Phosphodiesterase 7A","Phosphodiesterase 1B","Ph
osphodiesterase 6A","Phosphodiesterase 3A","Phosphodiesterase 9A","Voltage-gated potassium channel","Phosphodiesterase 2A","Phosphodiesterase 10A","Phosphodiesterase 8A","Phosphodiesterase 4A"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Cyclic nucleotide turnover/signalling","Other ion channels","Nuclear hormone receptors","Voltage-gated ion channels",Phosphodiesterases,3',"5'-cyclic nucleotide (PDE
s)","Chloride channels","2A. Hepatocyte nuclear factor-4 receptors","Potassium channels","Voltage-gated calcium channels",CFTR,"Voltage-gated potassium channels"}

> <pathway_reactome>
{Hemostasis,Metabolism,Autophagy,"Signal Transduction","Gene expression (Transcription)","Muscle contraction","Developmental Biology","Platelet homeostasis","Metabolism of lipids",Macroautophagy,"Intr
acellular signaling by second messengers","RNA Polymerase II Transcription","Cardiac conduction","Signaling by GPCR","Nervous system development","Nitric oxide stimulates guanylate cyclase","Phospholi
pid metabolism","Triglyceride metabolism","Selective autophagy","DAG and IP3 signaling","Generic Transcription Pathway","Phase 3 - rapid repolarisation","GPCR downstream signalling","Phase 1 - inactiv
ation of fast Na+ channels","Axon guidance","cGMP effects","Glycerophospholipid biosynthesis","Triglyceride catabolism",Aggrephagy,"CaM pathway","Nuclear Receptor transcription pathway","G alpha (s) s
ignalling events","NCAM signaling for neurite out-growth","G alpha (i) signalling events","Hydrolysis of LPC","Calmodulin induced events","NCAM1 interactions","Visual phototransduction","Cam-PDE 1 act
ivation","The phototransduction cascade","Activation of the phototransduction cascade"}

> <broad_targets>
{PDE5A,PDE6G,PDE6H}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{"Vardenafil HCl Trihydrate",T4097,T4480,S2515,"Vardenafil hydrochloride trihydrate","Vardenafil dihydrochloride"}

> <pdid>
PD009681

> <targets>
{PDE}

> <classes>
{Metabolism}

> <pubchem_cids>
{6918463}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    5.8323   -2.5073    0.0000 C   0  0
    5.2865   -1.1101    0.0000 C   0  0
    3.8538   -0.6657    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.4987   -3.0043    0.0000 C   0  0
    3.5966   -4.0263    0.0000 C   0  0  1  0  0  0
    5.0802   -3.8051    0.0000 C   0  0
    3.1522   -5.4590    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -6.4964    0.7459    0.0000 O   0  0
   -5.2010    2.9977    0.0000 O   0  0
   -2.5981   -3.0008    0.0000 C   0  0
   -1.8500   -4.2096    0.0000 C   0  0
   -3.3500   -4.2072    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    8.3323   -1.2295    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  1  1  0
  6  8  1  1
  4  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 12  1  0
 19 20  2  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 16 24  1  0
 24 25  1  0
 25 26  1  0
 26 24  1  0
 10 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12680

> <plate>
PLATE 022

> <well>
E10

> <supplier_cmpd_name>
Besifloxacin HCl

> <ctcr_id>
11272

> <supplier_cmpd_id>
T6406

> <smiles>
C1CCN(C[C@@H](C1)N)c1c(cc2c(c1Cl)n(cc(c2=O)C(=O)O)C1CC1)F.Cl

> <pd_targets>
{GYRA,GYRB,PARC,PARE}

> <pathway_gtopdb>
{Enzyme,Isomerase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{"Besifloxacin hydrochloride","Besifloxacin HCl",405165-61-9,405165619,Besivance,"Besifloxacin (Hydrochloride)",UNII-7506A6J57T,UNII7506A6J57T,BOL-303224-A,BOL303224A,"Besifloxacin HCl (Besivance)","B
esifloxacin hydrochloride (USAN)",SS734,7506A6J57T,"405165-61-9 (HCl)","405165619 (HCl)",B,T6406}

> <pdid>
PD009234

> <targets>
{Antibiotic}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{10224595}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 35  0  0  1  0            999 V2000
   10.5893   -0.2024    0.0000 Na  0  3
    8.0893   -0.2024    0.0000 Na  0  3
    2.2703   -4.0022    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0  1  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -0.6870   -2.7320    0.0000 O   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.2586   -6.9331    0.0000 O   0  0
   -0.7235   -8.0679    0.0000 P   0  0
   -2.1965   -7.7844    0.0000 O   0  5
   -1.7057   -9.2016    0.0000 O   0  5
   -0.2330   -9.4854    0.0000 O   0  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16 10  1  0
 16 17  1  6
 16 18  1  0
 18  7  1  0
 18 19  1  1
 18 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  1  0
 23  6  1  0
 23 24  1  6
 23 25  1  0
 25  4  1  0
 25 26  1  1
 25 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  2  0
M  CHG  4   1   1   2   1  32  -1  33  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12681

> <plate>
PLATE 022

> <well>
E11

> <supplier_cmpd_name>
Dexamethasone Sodium Phosphate

> <ctcr_id>
2918

> <supplier_cmpd_id>
T6465

> <smiles>
[Na+].[Na+].C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO[P]([O-])([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS3264I13,CCG-213535,CCG213535,T6465,1505725,"Dexamethasone Sodium Phosphate","BETAMETHAZONE SODIUM PHOSPHATE"}

> <pdid>

> <targets>
{}

> <classes>
{glucocorticoid,antiinflammatory}

> <pubchem_cids>
{45006165}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 75 78  0  0  1  0            999 V2000
    5.7143   -2.9143    0.0000 C   0  0
    6.0239   -1.4466    0.0000 C   0  0
    7.4503   -0.9797    0.0000 C   0  0  2  0  0  0
    8.5668   -1.9814    0.0000 C   0  0
    7.7601    0.4888    0.0000 C   0  0  1  0  0  0
    9.1859    0.9572    0.0000 C   0  0
   10.3036   -0.0432    0.0000 O   0  0
    9.4941    2.4261    0.0000 N   0  0
   10.9200    2.8945    0.0000 C   0  0  1  0  0  0
   11.2281    4.3633    0.0000 C   0  0
   10.1108    5.3654    0.0000 C   0  0
   10.2779    6.8432    0.0000 C   0  0
    8.9051    7.4477    0.0000 N   0  0
    7.9059    6.3290    0.0000 C   0  0
    8.6611    5.0330    0.0000 N   0  0
   12.0403    1.8958    0.0000 C   0  0
   11.7353    0.4272    0.0000 O   0  0
   13.4632    2.3649    0.0000 N   0  0
   13.9285    3.7909    0.0000 C   0  0
   15.4285    3.7890    0.0000 C   0  0
   15.8902    2.3619    0.0000 C   0  0
   14.6756    1.5036    0.0000 C   0  0  1  0  0  0
   14.6706    0.0028    0.0000 C   0  0
   15.9674   -0.7511    0.0000 O   0  0
   13.3688   -0.7442    0.0000 N   0  0
   13.3639   -2.2450    0.0000 C   0  0  1  0  0  0
   12.0621   -2.9919    0.0000 C   0  0
   12.0571   -4.4927    0.0000 C   0  0
   10.7571   -5.2411    0.0000 C   0  0
   10.7552   -6.7411    0.0000 C   0  0
   12.0533   -7.4927    0.0000 C   0  0
   13.3533   -6.7444    0.0000 C   0  0
   13.3552   -5.2444    0.0000 C   0  0
   14.6598   -3.0020    0.0000 C   0  0
   14.6532   -4.5019    0.0000 O   0  0
   15.9624   -2.2581    0.0000 O   0  0
    6.6408    1.4887    0.0000 N   0  0
    6.9462    2.9581    0.0000 C   0  0
    8.3708    3.4277    0.0000 O   0  0
    5.8269    3.9580    0.0000 C   0  0  2  0  0  0
    6.1324    5.4274    0.0000 C   0  0
    5.0131    6.4273    0.0000 C   0  0
    5.3163    7.8964    0.0000 C   0  0
    4.1957    8.8935    0.0000 C   0  0
    2.7718    8.4216    0.0000 C   0  0
    2.4686    6.9526    0.0000 C   0  0
    3.5892    5.9554    0.0000 C   0  0
    1.6512    9.4187    0.0000 O   0  0
    4.4025    3.4853    0.0000 N   0  0
    4.0987    2.0155    0.0000 C   0  0
    5.2193    1.0185    0.0000 O   0  0
    2.6742    1.5429    0.0000 C   0  0  2  0  0  0
    1.5509    2.5382    0.0000 C   0  0
    0.1278    2.0642    0.0000 C   0  0
    1.8515    4.0077    0.0000 C   0  0
    2.3704    0.0731    0.0000 N   0  0
    0.9460   -0.3996    0.0000 C   0  0
   -0.1747    0.5975    0.0000 O   0  0
    0.6422   -1.8693    0.0000 C   0  0  2  0  0  0
    1.7614   -2.8693    0.0000 C   0  0
    1.4560   -4.3387    0.0000 C   0  0
    2.5752   -5.3386    0.0000 C   0  0
    2.2698   -6.8080    0.0000 N   0  0
    3.3890   -7.8079    0.0000 C   0  0
    3.0837   -9.2766    0.0000 N   0  0
    4.8136   -7.3385    0.0000 N   0  0
   -0.7823   -2.3420    0.0000 N   0  0
   -1.0861   -3.8118    0.0000 C   0  0
    0.0346   -4.8089    0.0000 O   0  0
   -2.5105   -4.2845    0.0000 C   0  0  2  0  0  0
   -2.8143   -5.7542    0.0000 C   0  0
   -4.2387   -6.2269    0.0000 C   0  0
   -4.5424   -7.6959    0.0000 O   0  0
   -5.3594   -5.2298    0.0000 O   0  0
   -3.6311   -3.2874    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  9  8  1  1
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
  9 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 18  1  0
 22 23  1  1
 23 24  2  0
 23 25  1  0
 26 25  1  6
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 26 34  1  0
 34 35  2  0
 34 36  1  0
  5 37  1  6
 37 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  1
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 42  1  0
 45 48  1  0
 40 49  1  0
 49 50  1  0
 50 51  2  0
 50 52  1  0
 52 53  1  0
 53 54  1  0
 53 55  1  0
 52 56  1  1
 56 57  1  0
 57 58  2  0
 57 59  1  0
 59 60  1  6
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 64  2  3
 64 65  1  0
 64 66  1  0
 59 67  1  0
 67 68  1  0
 68 69  2  0
 68 70  1  0
 70 71  1  0
 71 72  1  0
 72 73  2  0
 72 74  1  0
 70 75  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12682

> <plate>
PLATE 022

> <well>
F2

> <supplier_cmpd_name>
Angiotensin II human

> <ctcr_id>
11273

> <supplier_cmpd_id>
T7040

> <smiles>
CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ANGIOTENSIN II",4474-91-3,4474913,"Angiotensin II human",Hypertensin,"Human angiotensin II","Angiotensin II (human)",Giapreza,"Angiotensin II (mouse)","Ang II","5-Isoleucine-angiotensin II","5Isoleu
cineangiotensin II","5-L-Isoleucineangiotensin II","5LIsoleucineangiotensin II",Asp-Arg-Val-Tyr-Il,AspArgValTyrIl,T7040}

> <pdid>
PD118753

> <targets>
{AT receptor,Angiotensin Receptor,Apoptosis}

> <classes>
{Endocrinology/Hormones,Apoptosis,GPCR/G Protein}

> <pubchem_cids>
{172198}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 10  0  0  0  0            999 V2000
   13.8933   -1.8789    0.0000 H   0  3
   11.3933   -1.8789    0.0000 H   0  3
    8.8933   -1.8789    0.0000 Cl  0  5
    6.3933   -1.8789    0.0000 Cl  0  5
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12683

> <plate>
PLATE 022

> <well>
F3

> <supplier_cmpd_name>
Betahistine

> <ctcr_id>
3499

> <supplier_cmpd_id>
T4195

> <smiles>
[H+].[H+].[Cl-].[Cl-].CNCCc1ccccn1

> <pd_targets>
{ALOX15,ALDH1A1,HRH3,TAAR1,HRH1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Oxidoreductase,"Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Histamine receptor","Trace amine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","G protein-coupled receptors",Lipoxygenases,"Histamine receptors","Trace amine receptor"}

> <pathway_reactome>
{Metabolism,"Signal Transduction",Disease,"Metabolism of lipids","Biological oxidations","Signaling by GPCR","Infectious disease","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I -
 Functionalization of compounds","GPCR ligand binding","Leishmania infection","Biosynthesis of DPA-derived SPMs","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth 
and survival","Biosynthesis of DPAn-3 SPMs","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3-derived protectins and resolvi
ns","Histamine receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{HRH1,HRH3}

> <broad_moa>
{"histamine receptor agonist","histamine receptor antagonist"}

> <synonyms>
{"Betahistine dihydrochloride",5579-84-0,5579840,"Betahistine hydrochloride","Betahistine 2HCl",Serc,"Betahistine HCl",Betaserc,Microser,Antivom,"2-Pyridineethanamine, N-methyl-, dihydrochloride","2Py
ridineethanamine, Nmethyl, dihydrochloride","Betahistine (dihydrochloride)",UNII-49K,UNII49K,T4195,1500670,Betahistine,"BETAHISTINE HYDROCHLORIDE"}

> <pdid>
PD009287

> <targets>
{}

> <classes>
{vasodilator}

> <pubchem_cids>
{68643,57515925}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.3229    1.2135    0.0000 C   0  0
   -5.7863    2.6401    0.0000 C   0  0
   -6.2045    0.0000    0.0000 O   0  0
   -5.3229   -1.2135    0.0000 C   0  0
   -5.7862   -2.6402    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5950    3.0008    0.0000 C   0  0
   -1.2942    3.7494    0.0000 C   0  0
   -1.2911    5.2502    0.0000 C   0  0
    0.0079    6.0003    0.0000 C   0  0
    0.0080    7.5003    0.0000 C   0  0
   -1.2911    8.2503    0.0000 C   0  0
   -2.5901    7.5003    0.0000 C   0  0
   -2.5902    6.0003    0.0000 N   0  0
   -1.2910    9.7511    0.0000 C   0  0
    0.0068   10.5032    0.0000 C   0  0
    0.0045   12.0032    0.0000 C   0  0
   -1.2957   12.7512    0.0000 C   0  0
   -2.5936   11.9991    0.0000 C   0  0
   -3.8938   12.7471    0.0000 F   0  0
   -2.5913   10.4991    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 15 21  1  0
 21 10  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 36 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12684

> <plate>
PLATE 022

> <well>
F4

> <supplier_cmpd_name>
Vorapaxar

> <ctcr_id>
3101

> <supplier_cmpd_id>
T7013

> <smiles>
CCOC(=O)NC1CCC2C(C1)CC3C(C(C)OC3=O)C2C=Cc4ccc(cn4)c5cccc(F)c5

> <pd_targets>
{F2R}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Protease-activated receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Proteinase-activated receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors"}

> <broad_targets>
{F2R}

> <broad_moa>
{"thrombin inhibitor"}

> <synonyms>
{CHEMBL2135971,HMS3740G03,BCP08286,FT-0697018,FT0697018,"SCH 530348;SCH-530348;SCH530348","SCH 530348;SCH530348;SCH530348",S8067,Vorapaxar}

> <pdid>
PD003611

> <targets>
{"Protease-activated Receptor"}

> <classes>
{}

> <pubchem_cids>
{72455102}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
   10.3996   -1.4837    0.0000 O   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 N   0  0
   -5.1894    6.0109    0.0000 C   0  0
   -5.1873    7.5117    0.0000 C   0  0
   -6.4848    8.2644    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 11 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 22  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32  8  1  0
 32 19  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12685

> <plate>
PLATE 022

> <well>
F5

> <supplier_cmpd_name>
Mitoxantrone

> <ctcr_id>
6514

> <supplier_cmpd_id>
T6588

> <smiles>
OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12

> <pd_targets>
{NFKB1,STK33,ALOX15,UBA3,USP2,CSNK2A1,CSNK2A2,CSNK2A3,CSNK2B,MAPT,ROS1,MAPK1,BLM,NPSR1,MPG,KMT2A,MEN1,KDM4E,L3MBTL1,ALD,TP53,LMNA,RECQL,FTL,POLB,DYRK1A,PIM1,APEX1,RORC,PMP22,NFO,ALDH1A1,TOP2A,CHRM1,SL
CO1B3,BTK,CYP2D6,HIF1A,PKM,CYP1A2,POL,LANA1,THPO,IMPA1,BLA(TEM-2),NSD2,HTT,CYP3A4,PYK,SLC22A1,ABCB1,PAX8,ERBB2,HTR2C,CHRM2,ABCC1,MTOR,KCNH2,CHRM4,SLC22A2,NAE1,FYN,SLC47A2,SLC6A2,SLC47A1,CACNA1C,CACNA1
D,CACNA1F,CACNA1S,ABCG2,EGFR,SLC22A3}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Membrane receptor","Epigenetic regulator","Transcription factor","Other nuclear protein","Unclassified protein",Transporter,"Ion channel",Kinase,Oxidoreductase,Ligas
e,Protease,"Family A G protein-coupled receptor",Reader,Eraser,"Nuclear receptor",Hydrolase,Isomerase,"Electrochemical transporter","Cytochrome P450",Writer,Transferase,"Primary active transporter","V
oltage-gated ion channel","Protein Kinase","Cysteine protease","Peptide receptor (family A GPCR)",Bromodomain,"Lysine demethylase","Methyl-lysine/arginine binding protein","Nuclear hormone receptor su
bfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 2","Cytochrome P450 family 1","Protein methyltransferase","Cytochrome P450 family 3","
ATP-binding cassette","Potassium channels","Voltage-gated calcium channel","CAMK protein kinase group","Cysteine protease CA clan","Other protein kinase group","TK protein kinase group","CMGC protein 
kinase group","Short peptide receptor (family A GPCR)","Jumonji domain-containing","MBT domain","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","SLC21/SLCO family of organic anion 
transporting polypeptides","Cytochrome P450 family 2D","Cytochrome P450 family 1A","SET domain","Cytochrome P450 family 3A","SLC22 family of organic cation and anion transporters","ABCB subfamily","AB
CC subfamily","Atypical protein kinase group","Voltage-gated potassium channel","SLC47 family of multidrug and toxin extrusion transporters","SLC06 neurotransmitter transporter family","ABCG subfamily
","CAMK protein kinase unique family","Cysteine protease C19 family","Other protein kinase CK2 family","Tyrosine protein kinase Sev family","CMGC protein kinase MAPK family","Neuropeptide receptor","C
MGC protein kinase DYRK family","CAMK protein kinase PIM family","Nuclear hormone receptor subfamily 1 group F member 3","Acetylcholine receptor","Tyrosine protein kinase Tec family","Cytochrome P450 
2D6","Cytochrome P450 1A1","Cytochrome P450 3A4","Tyrosine protein kinase EGFR family","Serotonin receptor","Atypical protein kinase PIKK family","Tyrosine protein kinase Src family","CMGC protein kin
ase ERK1","CMGC protein kinase Dyrk1 subfamily","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Peptidases and proteinases","Catalytic receptors","G protein-coupled receptors","Chromatin modifying enzyme
s","Nuclear hormone receptors","DNA topoisomerases","SLC superfamily of solute carriers","Cytochrome P450","2.7.1.40 Pyruvate kinases","Inositol phosphate turnover","ATP-binding cassette transporter f
amily","Voltage-gated ion channels","CAMK: Calcium/calmodulin-dependent protein kinases",Lipoxygenases,"CA: Cysteine (C) Peptidases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",
"Neuropeptide S receptor","1.14.11.- Histone demethylases","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans","Acetylcholine receptors (muscarinic)","SLCO family of organ
ic anion transporting polypeptides","CYP2 family: drug metabolising subset","CYP1 family","Inositol monophosphatase","CYP3 family","SLC22 family of organic cation and anion transporters","ABCB subfami
ly","5-Hydroxytryptamine receptors","ABCC subfamily",Atypical,"Potassium channels","SLC47 family of multidrug and toxin extrusion transporters","SLC6 neurotransmitter transporter family","ABCG subfami
ly","CAMK-unique family","C19: Ubiquitin-specific protease","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYR
K) family","PIM family","Organic cation transporters (OCT)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium channels","Monoamine transporter subfamily","Recept
or tyrosine kinases (RTKs)","ERK subfamily","Dyrk1 subfamily","Non-receptor tyrosine kinases (nRTKs)","FRAP subfamily","Type XVII RTKs: ROS receptors","Tec family","Type I RTKs: ErbB (epidermal growth
 factor) receptor family","Src family"}

> <pathway_reactome>
{"Immune System",Metabolism,"Gene expression (Transcription)","Neuronal System","DNA Repair",Disease,"Cell Cycle","Vesicle-mediated transport","Developmental Biology","Signal Transduction","Cellular r
esponses to external stimuli",Hemostasis,"Transport of small molecules","Muscle contraction","Cytokine Signaling in Immune system","Metabolism of lipids","Innate Immune System","RNA Polymerase II Tran
scription","Transmission across Chemical Synapses","DNA Double-Strand Break Repair","Infectious disease","Base Excision Repair","Cell Cycle Checkpoints",Mitotic,"Membrane Trafficking","Diseases of sig
nal transduction by growth factor receptors and second messengers","Nervous system development","Biological oxidations","Signaling by GPCR","Cellular responses to stress","Metabolism of carbohydrates"
,"Platelet activation","signaling and aggregation","Inositol phosphate metabolism","SLC-mediated transmembrane transport","Abacavir transport and metabolism","Cardiac conduction","Disorders of transme
mbrane transporters","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","C-type lectin receptors (CLRs)","Generic Transcription Pathway","Neurotransmitter receptor
s and postsynaptic signal transmission","Toll-like Receptor Cascades","Homology Directed Repair","Leishmania infection","Base-Excision Repair","AP Site Formation","G1/S DNA Damage Checkpoints","M Phas
e","trans-Golgi Network Vesicle Budding","Resolution of Abasic Sites (AP sites)","Mitotic G1 phase and G1/S transition","FLT3 signaling in disease","EGR2 and SOX10-mediated initiation of Schwann cell 
myelination","Phase I - Functionalization of compounds","GPCR ligand binding","Metabolism of steroids","Cellular response to hypoxia","Glucose metabolism","Platelet Aggregation (Plug Formation)","Synt
hesis of IP2",IP,"and Ins in the cytosol","Transport of bile salts and organic acids","metal ions and amine compounds","Abacavir transmembrane transport","Axon guidance","Fatty acid metabolism","Phase
 3 - rapid repolarisation","HIV Infection","SLC transporter disorders","GPCR downstream signalling","Interleukin-1 family signaling","Biosynthesis of DPA-derived SPMs","CLEC7A (Dectin-1) signaling","T
ranscriptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","HDR through Homologous Recombination (HRR) or Single Strand Annealing (
SSA)","Leishmania parasite growth and survival",Depurination,"p53-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","Golgi Associated Vesicle Biogenesis","Resolution of AP sites v
ia the multiple-nucleotide patch replacement pathway","G0 and Early G1","Signaling by FLT3 ITD and TKD mutants","Transcriptional regulation by RUNX1","Transcriptional regulation by RUNX3","Ethanol oxi
dation","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Parasite infection","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypox
ia-inducible Factor Alpha",Glycolysis,"Transcriptional Regulation by MECP2","Biosynthesis of DHA-derived SPMs","Organic cation/anion/zwitterion transport","Semaphorin interactions","Arachidonic acid m
etabolism","Host Interactions of HIV factors","Defective SLC6A2 causes orthostatic intolerance (OI)","G alpha (q) signalling events","Interleukin-1 signaling","Biosynthesis of DPAn-3 SPMs","Dectin-1 m
ediated noncanonical NF-kB signaling","Regulation of TP53 Activity","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","HDR through Homologous Recombination (HRR)","An
ti-inflammatory response favouring Leishmania parasite infection","Cleavage of the damaged purine","p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Re
pair","STAT5 activation downstream of FLT3 ITD mutants","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","RUNX3 Regulates Immune Response and Cell Migration","Tr
anscription of E2F targets under negative control by DREAM complex","Amine ligand-binding receptors","Recycling of bile acids and salts","Leishmania phagocytosis",Xenobiotics,"Processing of DNA double
-strand break ends","Regulation of MECP2 expression and activity","Biosynthesis of maresins","Organic cation transport","Sema4D in semaphorin signaling","Synthesis of Leukotrienes (LT) and Eoxins (EX)
","The role of Nef in HIV-1 replication and disease pathogenesis","Gastrin-CREB signalling pathway via PKC and MAPK","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protec
tins and resolvins","Regulation of TP53 Expression and Degradation","Activation of AMPK downstream of NMDARs","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated ant
i-inflammatory cytokines production","Regulation of TP53 Activity through Methylation","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","FCGR3A-mediated p
hagocytosis","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Sema4D induced cell migration and growth-cone collapse","Seroton
in receptors","Nef and signal transduction","EGFR Transactivation by Gastrin","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous D
NA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{mitoxantrone,65271-80-9,65271809,Mitoxanthrone,Mitozantrone,DHAQ,Dihydroxyanthraquinone,Mitoxantron,Novantrone,Mitoxantrona,Mitoxantronum,"NSC 279836",UNII-BZ114NVM5P,UNIIBZ114NVM5P,DHAD,NSC279836,NS
C-279836,"Mitoxantrone free base",1,4-Bis(2-(2-hydroxyethylamino)e,4Bis(2(2hydroxyethylamino)e,T6588,279836,Mitoxantrone}

> <pdid>
PD004112

> <targets>
{}

> <classes>
{"Topoisomerase Inhibitor"}

> <pubchem_cids>
{4212}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 42  0  0  1  0            999 V2000
    0.1183   -2.3928    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 N   0  0
   -0.4623    2.7009    0.0000 C   0  0
   -1.9623    2.7008    0.0000 C   0  0
   -2.4258    1.2743    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 O   0  0
   -2.8455    3.9111    0.0000 N   0  3
   -4.3370    3.7522    0.0000 O   0  0
   -2.2378    5.2825    0.0000 O   0  5
    2.2267   -0.8531    0.0000 C   0  0
    2.8377    0.5177    0.0000 O   0  0
    4.3302    0.6749    0.0000 C   0  0
    4.9429    2.0441    0.0000 C   0  0
    6.4350    2.1982    0.0000 C   0  0
    7.3144    0.9831    0.0000 C   0  0
    6.7019   -0.3861    0.0000 C   0  0
    5.2098   -0.5402    0.0000 C   0  0
    8.8073    1.1373    0.0000 N   0  0
    9.4221    2.5055    0.0000 C   0  0
   10.9144    2.6573    0.0000 C   0  0
   11.7920    1.4408    0.0000 C   0  0
   11.1772    0.0725    0.0000 C   0  0
    9.6849   -0.0792    0.0000 C   0  0
   13.2854    1.5895    0.0000 O   0  0
   14.1617    0.3711    0.0000 C   0  0
   15.6546    0.5176    0.0000 C   0  0
   16.5279   -0.7020    0.0000 C   0  0
   15.9085   -2.0681    0.0000 C   0  0
   14.4156   -2.2147    0.0000 C   0  0
   13.5423   -0.9951    0.0000 C   0  0
   16.7798   -3.2901    0.0000 O   0  0
   16.1580   -4.6561    0.0000 C   0  0
   17.0288   -5.8774    0.0000 F   0  0
   14.6649   -4.8000    0.0000 F   0  0
   15.5359   -6.0210    0.0000 F   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  4  1  0
  8  9  1  0
  9  2  1  0
  6 10  1  0
 10 11  2  0
 10 12  1  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 15  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 32  1  0
 32 33  2  3
 33 28  1  0
 31 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 35 38  1  0
M  CHG  2  10   1  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12686

> <plate>
PLATE 022

> <well>
F6

> <supplier_cmpd_name>
Delamanid

> <ctcr_id>
11274

> <supplier_cmpd_id>
T4202

> <smiles>
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F

> <pd_targets>
{}

> <pathway_gtopdb>
{}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{HY-10846,HY10846,Delamanid,681492-22-8,681492228,OPC-67683,OPC67683,UNII-8OOT6M1PC7,UNII8OOT6M1PC7,"Delamanid (OPC-67683)","Delamanid (OPC67683)",8OOT6M1PC7,MMV688262,"Deltyba (TN)","OPC 67683","Dela
manid (JAN/USAN)","OPC-67683; Delamanid","OPC67683; Delamanid",SCHEMBL57791,"Delamanid (USAN:INN:JAN)",CHEMBL218650,DTXSID60218326,CH,T4202}

> <pdid>
PD061426

> <targets>
{Antifection}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{6480466}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    2.1651   -1.2500    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    2.5000    0.0000 C   0  0
    2.5977    1.5022    0.0000 N   0  0
    2.5952    3.0030    0.0000 C   0  0
    1.2947    3.7520    0.0000 C   0  0
    0.4293    3.2509    0.0000 O   0  0
    1.2922    5.2529    0.0000 N   0  0
   -0.0084    6.0019    0.0000 C   0  0
   -0.0131    7.5019    0.0000 C   0  0
   -1.3144    8.2479    0.0000 C   0  0
   -2.6111    7.4940    0.0000 C   0  0
   -2.6065    5.9940    0.0000 C   0  0
   -1.3052    5.2480    0.0000 C   0  0
   -3.9131    8.2403    0.0000 C   0  0
   -4.0579    9.7206    0.0000 N   0  0
   -5.5266   10.0256    0.0000 O   0  0
   -6.2705    8.7231    0.0000 C   0  0
   -5.2616    7.6130    0.0000 N   0  0
    3.8982    0.7531    0.0000 C   0  0
    5.1963    1.5048    0.0000 O   0  0
    3.9008   -0.7477    0.0000 C   0  0
    5.1995   -1.4983    0.0000 C   0  0
    5.1990   -2.9983    0.0000 C   0  0
    3.8996   -3.7478    0.0000 S   0  0
    5.2158   -4.4674    0.0000 O   0  0
    2.5831   -4.4666    0.0000 O   0  0
    2.6009   -2.9974    0.0000 C   0  0
    2.6014   -1.4974    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  4  8  1  0
  3  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 20  1  0
  9 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  2  0
 30 33  1  0
 33 34  1  0
 34 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12687

> <plate>
PLATE 022

> <well>
F7

> <supplier_cmpd_name>
Amenamevir

> <ctcr_id>
11275

> <supplier_cmpd_id>
T4226

> <smiles>
Cc1c(c(ccc1)C)N(CC(=O)Nc1ccc(cc1)c1nocn1)C(=O)C1CCS(=O)(=O)CC1

> <pd_targets>
{HELI}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"helicase primase inhibitor"}

> <synonyms>
{Amenamevir,841301-32-4,841301324,"ASP 2151",ASP2151,UNII-94X46KW4AE,UNII94X46KW4AE,ASP-2151,94X46KW4AE,"Amenamevir (INN)","Amenalief (TN)","Amenamevir (JAN/INN)",SCHEMBL2238614,CHEMBL4297592,BCP29135
,EX-A1700,EXA1700,s5552,CCG-269570,CCG269570,CS-8093,CS8093,DB11701,SB19732,AK688795,BS-17608,BS17608,H,T4226}

> <pdid>
PD059017

> <targets>
{helicase-primase,HSV}

> <classes>
{DNA Damage/DNA Repair,Anti-infection}

> <pubchem_cids>
{11397521}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 38 38  0  0  0  0            999 V2000
    8.8216   -3.0590    0.0000 C   0  0
    7.3538   -3.3681    0.0000 C   0  0
    6.3509   -2.2515    0.0000 O   0  0
    4.8823   -2.5608    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5536   -4.4230    0.0000 N   0  0
    1.8122   -5.7293    0.0000 C   0  0
    2.3578   -7.1266    0.0000 C   0  0
    3.7904   -7.5713    0.0000 C   0  0
    5.0312   -6.7284    0.0000 N   0  0
    6.3289   -7.4807    0.0000 C   0  0
    5.1459   -5.2328    0.0000 C   0  0
    4.0481   -4.2107    0.0000 C   0  0
   12.6224   -1.1606    0.0000 O   0  0
   12.6224   -2.6606    0.0000 C   0  0
   11.3231   -3.4102    0.0000 O   0  0
   13.9224   -3.4106    0.0000 C   0  0
   15.2224   -2.6606    0.0000 C   0  0
   16.5223   -3.4106    0.0000 C   0  0
   16.5223   -4.9106    0.0000 O   0  0
   17.8216   -2.6610    0.0000 O   0  0
   21.6223   -1.1606    0.0000 O   0  0
   21.6223   -2.6606    0.0000 C   0  0
   20.3230   -3.4102    0.0000 O   0  0
   22.9223   -3.4106    0.0000 C   0  0
   24.2223   -2.6606    0.0000 C   0  0
   25.5223   -3.4106    0.0000 C   0  0
   25.5223   -4.9106    0.0000 O   0  0
   26.8216   -2.6610    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  2  0
 14  6  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 15  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12688

> <plate>
PLATE 022

> <well>
F8

> <supplier_cmpd_name>
Emedastine

> <ctcr_id>
3262

> <supplier_cmpd_id>
T3979

> <smiles>
CCOCCn1c2ccccc2nc1N3CCCN(C)CC3.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Emedastine difumarate",87233-62-3,87233623,"87233 62 3","Emedastine fumarate",Rapimine,Daren,UNII-42MB94QOSM,UNII42MB94QOSM,"UNII 42MB94QOSM","1-(2-Ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimi
dazole difumarate","1(2Ethoxyethyl)2(4methyl1homopiperazinyl)benzimidazole difumarate",1(2Ethoxyethyl)2(4methyl1,Prestw-1274,Emedastine}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5282485}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 42  0  0  0  0            999 V2000
    8.3836   -2.7641    0.0000 O   0  0
    6.9064   -2.5036    0.0000 C   0  0
    6.3933   -1.0941    0.0000 C   0  0
    4.9161   -0.8336    0.0000 C   0  0
    3.9519   -1.9827    0.0000 C   0  0
    2.4747   -1.7222    0.0000 O   0  0
    4.4650   -3.3922    0.0000 C   0  0
    5.9422   -3.6527    0.0000 C   0  0
    6.4552   -5.0622    0.0000 C   0  0
    3.5008   -4.5413    0.0000 C   0  0
    7.3557    0.0576    0.0000 C   0  0
    6.8403    1.4672    0.0000 C   0  0
    7.8027    2.6189    0.0000 C   0  0
    7.2873    4.0285    0.0000 C   0  0
    8.2497    5.1801    0.0000 C   0  0
    7.7343    6.5897    0.0000 C   0  0
    8.6967    7.7414    0.0000 C   0  0
    8.1814    9.1510    0.0000 C   0  0
    9.1437   10.3027    0.0000 C   0  0
    8.6284   11.7122    0.0000 C   0  0
    9.5907   12.8639    0.0000 P   0  3
    9.0754   14.2735    0.0000 C   0  0
    7.7753   15.0217    0.0000 C   0  0
    7.7731   16.5217    0.0000 C   0  0
    9.0711   17.2735    0.0000 C   0  0
   10.3712   16.5254    0.0000 C   0  0
   10.3733   15.0254    0.0000 C   0  0
   11.0691   12.6059    0.0000 C   0  0
   11.5846   11.1973    0.0000 C   0  0
   13.0623   10.9394    0.0000 C   0  0
   14.0244   12.0901    0.0000 C   0  0
   13.5089   13.4988    0.0000 C   0  0
   12.0313   13.7567    0.0000 C   0  0
    8.1123   13.1220    0.0000 C   0  0
    7.1501   11.9712    0.0000 C   0  0
    5.6725   12.2291    0.0000 C   0  0
    5.1570   13.6377    0.0000 C   0  0
    6.1191   14.7885    0.0000 C   0  0
    7.5968   14.5306    0.0000 C   0  0
   15.4792    7.1364    0.0000 Br  0  5
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  2  1  0
  8  9  1  0
  7 10  1  0
  3 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 21 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 21 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
M  CHG  2  21   1  40  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12689

> <plate>
PLATE 022

> <well>
F9

> <supplier_cmpd_name>
Visomitin

> <ctcr_id>
11277

> <supplier_cmpd_id>
T4168

> <smiles>
O=C1C(=CC(=O)C(=C1C)C)CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{antioxidant}

> <synonyms>
{Visomitin,934826-68-3,934826683,SKQ1,"SKQ-1 bromide","SKQ1 bromide","934826-68-3 (bromide)","934826683 (bromide)",UNII-7B14500J3E,UNII7B14500J3E,"SKQ1 (Visomitin), ethanol solution",7B14500J3E,SKQ1(V
isomitin),SCHEMBL12231062,BCP15201,EX-A2505,EXA2505,MFCD29477502,CS-8068,CS8068,HY-100474,HY100474,Q27896317,T4168}

> <pdid>
PD057100

> <targets>
{Others,Reactive Oxygen Species}

> <classes>
{Others,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{16679091}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    6.0921   -5.7983    0.0000 N   0  0
    6.7064   -4.4299    0.0000 C   0  0
    7.3211   -3.0607    0.0000 C   0  0
    6.4434   -1.8433    0.0000 C   0  0  1  0  0  0
    7.0565   -0.4733    0.0000 C   0  0
    6.3038    0.8093    0.0000 C   0  0
    7.3128    1.9192    0.0000 C   0  0
    8.6802    1.3025    0.0000 C   0  0
    8.5162   -0.1885    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  3  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 15  1  0
 23 19  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12690

> <plate>
PLATE 022

> <well>
F10

> <supplier_cmpd_name>
S-Ruxolitinib

> <ctcr_id>
7410

> <supplier_cmpd_id>
T6156

> <smiles>
N#CC[C@@H](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34

> <pd_targets>
{IKBKE,ABL1,JAK2,RET,MAP4K4,LCK,GRK5,GSK3A,AURKB,JAK3,DYRK1B,FGFR1,CSNK1A1,CDK8,NTRK2,ALK,PRKAA1,DYRK1A,TAOK1,DAPK3,CLK2,LTK,PTK2,ROCK1,FYN,LRRK2,TNK2,PAK4,GSK3B,PRKACA,CAMK1D,CAMK2A,NTRK3,AURKA,PRKD3
,CLK4,MAP3K2,IKBKB,GRK7,CAMK2G,KIT,DCLK2,RPS6KA6,MKNK2,JAK1,PRKCE,VRK2,PLK4,PAK5,MAP3K19,TYK2,BMPR1B,CDK7,NEK7,MAP2K4,TTK,BRAF,ROCK2,BMPR2,STK26,RIPK4,RIOK1,BMP2K,MAP4K2,HDAC6,PI4KB,MAP2K1,CASK,CAMK2D
,SBK1,DCLK3,ANKK1,NTRK1,ULK3,CSNK2A1,PKNB,GAK,SRPK3,ULK2,MAST1,TAOK2,MARK2,TAOK3,RIOK3,PLK3,EPHB6,DCLK1,OXSR1,MAPK8,GRK1,CAMK1,STK17B,DMPK,CAMK2B,ERN1,CSNK2A2,NEK3,HIPK1,RIOK2,PAK6,AURKC,MAP3K15,RPS6K
A2,IRAK1,MAP2K3,ULK1,PLK1,EPHA3,NR1H2,HIPK3,MAP3K1,PHKG1,STK25,DAPK2,AAK1,CAMK1G,HIPK2,NUAK2,SIK3,PHKG2,MAP3K3,GRK4,PRKG2,PLK2,STK39,TBK1,MELK,MAP2K2,RPS6KA1,SRPK1,DYRK2,STK17A,RPS6KA5,DAPK1,STK16,RPS
6KA4,MYLK,MAP3K7,SBK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","TK protein kinase group","STE protein kinase group","AGC protein kinase group","CMGC protein kinase group","CK1 protein kinase group","TKL
 protein kinase group","CAMK protein kinase group","Tyrosine protein kinase Abl family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Ret family","STE protein kinase STE20 family","Ty
rosine protein kinase Src family","AGC protein kinase GRK family","CMGC protein kinase GSK family","Other protein kinase AUR family","CMGC protein kinase DYRK family","Tyrosine protein kinase FGFR fam
ily","CK1 protein kinase CK1 family","CMGC protein kinase CDK family","Tyrosine protein kinase Trk family","TKL protein kinase STKR family","CAMK protein kinase CAMK1 family","CAMK protein kinase DAPK
 family","CMGC protein kinase CLK family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Fak family","AGC protein kinase DMPK family","TKL protein kinase LRRK family","Tyrosine protein 
kinase Ack family","AGC protein kinase PKA family","CAMK protein kinase CAMK2 family","CAMK protein kinase PKD family","STE protein kinase MSN subfamily","AGC protein kinase GRK subfamily","CMGC prote
in kinase Dyrk1 subfamily","CMGC protein kinase CDK8 subfamily","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase AMPK subfamily","STE protein kinase TAO subfamily","AGC protein kinase R
OCK subfamily","Tyrosine protein kinase SrcA","STE protein kinase PAKB subfamily","Epigenetic regulator","Unclassified protein","Transcription factor",Eraser,Transferase,"Nuclear receptor","Histone de
acetylase","Nuclear hormone receptor subfamily 1","Atypical protein kinase group","HDAC class IIb","Nuclear hormone receptor subfamily 1 group H","STE protein kinase STE11 family","Other protein kinas
e IKK family","Tyrosine protein kinase PDGFR family","CAMK protein kinase DCAMK1 family","AGC protein kinase RSK family","CAMK protein kinase MAPKAPK family","AGC protein kinase PKC family","Other pro
tein kinase PLK family","Other protein kinase NEK family","STE protein kinase STE7 family","Other protein kinase TTK family","TKL protein kinase RAF family","TKL protein kinase RIPK family","Atypical 
protein kinase RIO family","Other protein kinase NAK family","Other protein kinase NKF1 family","Other protein kinase ULK family","Other protein kinase CK2 family","CMGC protein kinase SRPK family","A
GC protein kinase MAST family","CMGC protein kinase MAPK family","TKL protein kinase IRAK family","Tyrosine protein kinase Eph family","Nuclear hormone receptor subfamily 1 group H member 3","CAMK pro
tein kinase PHk family","AGC protein kinase PKG family","CAMK protein kinase MLCK family","TKL protein kinase MLK family","STE protein kinase MEKK2","AGC protein kinase RSK subfamily","CAMK protein ki
nase MNK subfamily","AGC protein kinase PKC eta subfamily","CMGC protein kinase CDK7 subfamily","TKL protein kinase STKR Type 2 subfamily","STE protein kinase YSK subfamily","Atypical protein kinase R
IO1 subfamily","STE protein kinase KHS subfamily","CAMK protein kinase MARK subfamily","Atypical protein kinase RIO3 subfamily","STE protein kinase FRAY subfamily","CMGC protein kinase JNK subfamily",
"AGC protein kinase GEK subfamily","Other protein kinase Nek1","CMGC protein kinase HIPK subfamily","Atypical protein kinase RIO2 subfamily","STE protein kinase ASK","CAMK protein kinase NuaK subfamil
y","CAMK protein kinase QIK subfamily","Other protein kinase PLK2","CAMK protein kinase MELK subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase MSK subfamily","TKL protein kinase TAK
1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: 
Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","Other protein kinases","TK: Tyrosine kinase","STE20 family","G protein-coupled rec
eptor kinases (GRKs)","Glycogen synthase kinase (GSK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Cyclin-dependent kinase (CD
K) family","CAMK-like (CAMKL) family","Death-associated kinase (DAPK) family","CLK family","DMPK family","TKL: Tyrosine kinase-like","Protein kinase A (PKA) family","CAMK1 family","CAMK2 family","Prot
ein kinase D (PKD) family","IKK family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","MSN subfamily","GRK4 subfamily","GSK subfamily","Aurora kinase (Aur) family","Dyrk1 
subfamily","CDK8 subfamily","AMPK subfamily","TAO subfamily","Rho kinase","Leucine-rich repeat kinase (LRRK) family","PAKB subfamily","Abl family","Janus kinase (JakA) family","Type XIV RTKs: RET","Sr
c family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fak family",
"Ack family","Chromatin modifying enzymes","Nuclear hormone receptors",Atypical,"3.5.1.- Histone deacetylases (HDACs)","Lipid modifying kinases","1H. Liver X receptor-like receptors","STE11 family","D
CAMKL family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Protein kinase C (PKC) family","Vaccina related kinase (VRK) family","STE7 family","RIO family","1-phosphatidylinositol 4-k
inase family","CASK family","SRPK family","MAST family","Mitogen-activated protein kinases (MAP kinases)","Phosphorylase kinase (PHK) family","Protein kinase G (PKG) family","Myosin Light Chain Kinase
 (MLCK) family","Opsin/rhodopsin kinases","RSK subfamily","MKN subfamily","Eta subfamily","Polo-like kinase (PLK) family","STE20 subfamily","Receptor serine/threonine kinase (RSTK) family","CDK7 subfa
mily","NIMA (never in mitosis gene a)- related kinase (NEK) family","TTK family","RAF family","YSK subfamily","Receptor interacting protein kinase (RIPK) family","RIO1 subfamily","Numb-associated kina
se (NAK) family","KHS subfamily","NKF1 family","Unc-51-like kinase (ULK) family","Casein kinase 2 (CK2) family","MARK subfamily","RIO3 subfamily","FRAY subfamily","JNK subfamily","GEK subfamily","IRE 
family","HIPK subfamily","RIO2 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","NAK family","NuaK subfamily","QIK subfamily","MELK subfamily","Dyrk2 subfamily","MSK subfamily","Mix
ed Lineage Kinase (MLK) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases","Type XIII RTKs: Ephrin re
ceptor family","TAK1 subfamily"}

> <pathway_reactome>
{"Immune System",Disease,"Cell Cycle","Developmental Biology","Cellular responses to external stimuli","Signal Transduction","Gene expression (Transcription)","Programmed Cell Death","Neuronal System"
,Metabolism,"Innate Immune System","Infectious disease",Mitotic,"Nervous system development","Cellular responses to stress","Signaling by GPCR","Cytokine Signaling in Immune system","Diseases of signa
l transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription",Apoptosis,"Signaling by Non-Receptor Tyrosine Kinases","Tran
smission across Chemical Synapses","Metabolism of lipids","Toll-like Receptor Cascades","Leishmania infection","Mitotic G1 phase and G1/S transition","Axon guidance","Cellular Senescence","HIV Infecti
on","GPCR downstream signalling","SARS-CoV Infections","M Phase","Signaling by Interleukins","Signaling by FGFR in disease","Signaling by WNT in cancer","Signaling by NOTCH1 in Cancer","Signaling by N
TRKs","Generic Transcription Pathway","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by PTK6","Mitotic G2-G2/M phases","Neurotransmitter receptors and postsynaptic signal t
ransmission","Sphingolipid metabolism","Toll Like Receptor 4 (TLR4) Cascade","Parasite infection","G1 Phase","RET signaling","Oxidative Stress Induced Senescence","Host Interactions of HIV factors","G
 alpha (q) signalling events","SARS-CoV-1 Infection","Mitotic Metaphase and Anaphase","Interleukin-2 family signaling","Signaling by FGFR1 in disease","Signaling by AMER1 mutants","Signaling by NOTCH1
 HD+PEST Domain Mutants in Cancer","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","G0 and Early G1","Caspase activation via Dependence Receptors in the absence of ligand","Semaphorin
 interactions","PTK6 promotes HIF1A stabilization","Signaling by ROBO receptors","G2/M Transition","Activation of NMDA receptors and postsynaptic events","Signaling by NTRK3 (TRKC)","Sphingolipid de n
ovo biosynthesis","MyD88-independent TLR4 cascade","Leishmania phagocytosis","Cyclin D associated events in G1","The role of Nef in HIV-1 replication and disease pathogenesis","SARS-CoV-1 Genome Repli
cation and Transcription","Mitotic Anaphase","Interleukin-15 signaling","FGFR1 mutant receptor activation","Truncations of AMER1 destabilize the destruction complex","Constitutive Signaling by NOTCH1 
HD+PEST Domain Mutants","Activation of TRKA receptors","Regulation of TP53 Activity","Sema4D in semaphorin signaling","Activation of RAC1","Centrosome maturation","Post NMDA receptor activation events
","Activated NTRK3 signals through PI3K","TRIF(TICAM1)-mediated TLR4 signaling","FCGR3A-mediated phagocytosis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin ad
apters","Replication of the SARS-CoV-1 genome","Separation of Sister Chromatids","Signaling by activated point mutants of FGFR1","NGF-independant TRKA activation","Regulation of TP53 Activity through 
Phosphorylation","Sema4D induced cell migration and growth-cone collapse","Nef and signal transduction","Loss of proteins required for interphase microtubule organization from the centrosome","CREB1 p
hosphorylation through NMDA receptor-mediated activation of RAS signaling","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosom
es","Ras activation upon Ca2+ influx through NMDA receptor","Metabolism of RNA","Vesicle-mediated transport","Muscle contraction","Metabolism of proteins",Autophagy,"Signaling by TGFB family members",
"rRNA processing","Signaling by Hedgehog","Membrane Trafficking","Cardiac conduction","Unfolded Protein Response (UPR)",Macroautophagy,"Post-translational protein modification","Metabolism of carbohyd
rates","MAPK family signaling cascades","Signaling by Rho GTPases","Signaling by KIT in disease","Interferon Signaling","Fcgamma receptor (FCGR) dependent phagocytosis","Signaling by BMP","Apoptotic e
xecution phase","rRNA processing in the nucleus and cytosol","Phospholipid metabolism","Hedgehog 'on' state","trans-Golgi Network Vesicle Budding","Ion homeostasis","IRE1alpha activates chaperones","S
elective autophagy",SUMOylation,"Glycogen metabolism","Clathrin-mediated endocytosis","MAPK1/MAPK3 signaling","RHO GTPase Effectors","G alpha (i) signalling events","Drug resistance of KIT mutants","A
ntiviral mechanism by IFN-stimulated genes","Role of phospholipids in phagocytosis","Interferon alpha/beta signaling","HIV Life Cycle","Mitotic Prophase","Toll Like Receptor 5 (TLR5) Cascade","Apoptot
ic cleavage of cellular proteins","Major pathway of rRNA processing in the nucleolus and cytosol","Transcriptional regulation by RUNX2","PI Metabolism","Golgi Associated Vesicle Biogenesis","EPH-Ephri
n signaling",Mitophagy,"SUMO E3 ligases SUMOylate target proteins","Toll Like Receptor 2 (TLR2) Cascade","Glycogen breakdown (glycogenolysis)","Cargo recognition for clathrin-mediated endocytosis","In
terleukin-1 family signaling","RAF/MAP kinase cascade","Leishmania parasite growth and survival","L1CAM interactions","RHO GTPases activate PAKs","Visual phototransduction","Dasatinib-resistant KIT mu
tants","ISG15 antiviral mechanism","Regulation of IFNA signaling","Late Phase of HIV Life Cycle","Nuclear Envelope Breakdown","MyD88 cascade initiated on plasma membrane","Signalling to ERKs","RUNX2 r
egulates bone development","Synthesis of PIPs at the Golgi membrane","Assembly and cell surface presentation of NMDA receptors","EPHB-mediated forward signaling","Receptor Mediated Mitophagy","EPHA-me
diated growth cone collapse","SUMOylation of intracellular receptors","Toll Like Receptor TLR6:TLR2 Cascade","Interleukin-1 signaling","RAS processing","Anti-inflammatory response favouring Leishmania
 parasite infection","Recycling pathway of L1","The phototransduction cascade","Nuclear Envelope (NE) Reassembly","Transcription of the HIV genome","Activation of NIMA Kinases NEK9",NEK6,NEK7,"MAP kin
ase activation","Prolonged ERK activation events","RUNX2 regulates osteoblast differentiation","Activation of RAC1 downstream of NMDARs","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","CD163 
mediating an anti-inflammatory response","IKK complex recruitment mediated by RIP1",Inactivation,"recovery and regulation of the phototransduction cascade","RSK activation","Initiation of Nuclear Enve
lope (NE) Reformation","HIV Transcription Elongation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","ARMS-mediated activation","Frs2-mediated activation","MAPK
 targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Tat-mediated elongation of the HIV-1 tra
nscript","Activation of the AP-1 family of transcription factors","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{JAK1,JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{"RUXOLITINIB (INCB018424",S-Ruxolitinib,SRuxolitinib,941685-37-6,941685376,"S-Ruxolitinib (INCB018424)","SRuxolitinib (INCB018424)","Ruxolitinib (S enantiomer)",(R)-ruxolitinib,(R)ruxolitinib,"Ruxoli
tinib S enantiomer","INCB 18424",ruxolitinib-(S),ruxolitinib(S),PubChem19323,SCHEMBL99225,CHEMBL1287854,DTXSID30678918,BCP15524,EX-A40,EXA40,S2902}

> <pdid>
PD003235

> <targets>
{JAK1,JAK2,JAK}

> <classes>
{}

> <pubchem_cids>
{50878566}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  1  0            999 V2000
    6.4991   -0.7671    0.0000 C   0  0
    5.1972   -1.5121    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1017   -6.1219    0.0000 S   0  0
    4.6332   -7.5468    0.0000 C   0  0
    3.1332   -7.5416    0.0000 C   0  0
    2.6747   -6.1134    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  2  0
 12  4  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
 22 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12691

> <plate>
PLATE 022

> <well>
F11

> <supplier_cmpd_name>
Rotigotine

> <ctcr_id>
8201

> <supplier_cmpd_id>
T6647

> <smiles>
CCCN(CCc1sccc1)[C@H]2CCc3c(O)cccc3C2

> <pd_targets>
{DRD3,DRD5,DRD2,DRD4,HTR1A,ADRA2B}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Dopamine receptor","Serotonin receptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Dopamine receptors","5-Hydroxytryptamine receptors",Adrenoceptors}

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by GPCR","Infectious disease","GPCR ligand binding","Leishmania infection","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","A
mine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Dopamine receptors","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors"
,Adrenoceptors}

> <broad_targets>
{ADRA2B,DRD1,DRD2,DRD3,DRD4,DRD5,HTR1A}

> <broad_moa>
{"dopamine receptor agonist"}

> <synonyms>
{Rotigotine,99755-59-6,99755596,Neupro,Leganto,"SPM 962",(6S)-rotigotine,(6S)rotigotine,UNII-87T4T8BO2E,UNII87T4T8BO2E,SPM-962,SPM962,"N 0923",CHEMBL1303,87T4T8BO2E,"99755-59-6 (free base)","99755596 
(free base)","(6S)-6-(Propyl(2-(2-thienyl)ethyl)amino)-5,6,7,8-tetrahydro-1-naphthalenol","(6S)6(Propyl(2(2thienyl)ethyl)amino)5,6,7,8tetrahydro1naphthalenol",NCGC00168748-01,NCGC0016874801,Rotigot,T6
647,S4274}

> <pdid>
PD004258

> <targets>
{Dopamine Receptor,5-HT Receptor,Adrenergic Receptor}

> <classes>
{Neuronal Signaling,GPCR/G Protein}

> <pubchem_cids>
{59227}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    6.5504   -0.1033    0.0000 Cl  0  0
    4.0497   -4.4250    0.0000 N   0  0
    2.5497   -4.4224    0.0000 C   0  0
    1.7978   -5.7203    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -6.5018    3.7420    0.0000 C   0  0
   -7.7993    2.9876    0.0000 C   0  0
   -9.1017    3.7333    0.0000 C   0  0
  -10.3992    2.9790    0.0000 C   0  0
  -11.7017    3.7246    0.0000 C   0  0
  -11.8422    5.2052    0.0000 C   0  0
  -13.3100    5.5145    0.0000 N   0  0
  -14.0571    4.2147    0.0000 C   0  0
  -15.5237    3.9003    0.0000 C   0  0
  -15.9848    2.4729    0.0000 C   0  0
  -14.9791    1.3599    0.0000 C   0  0
  -13.5124    1.6744    0.0000 C   0  0
  -13.0514    3.1018    0.0000 C   0  0
  -15.4404   -0.0682    0.0000 C   0  0
  -15.9014   -1.4956    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13  5  2  0
 10 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 22  1  0
 30 25  1  0
 28 31  1  0
 31 32  3  0
 17 33  1  0
 33 34  1  0
 34 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12692

> <plate>
PLATE 022

> <well>
G2

> <supplier_cmpd_name>
Vilazodone

> <ctcr_id>
5402

> <supplier_cmpd_id>
T1279

> <smiles>
Cl.NC(=O)c1oc2ccc(cc2c1)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3

> <pd_targets>
{HTR1A,HRH1,DRD2,DRD4,HTR2C,HTR6,SLC6A4,DRD3,HTR4,HTR7,HTR2A,HTR3A,HTR3B,ACHE,HTR1B,HTR1D,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Ion channel",Enzyme,"Family A G protein-coupled receptor","Electrochemical transporter","Ligand-gated ion channel",Hydrolase,"Small molecule receptor (family A GPCR)"
,"SLC superfamily of solute carriers","5HT3 receptor","Monoamine receptor","SLC06 neurotransmitter transporter family","Serotonin receptor","Histamine receptor","Dopamine receptor","Adrenergic recepto
r"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Ligand-gated ion channels","Acetylcholine turnover","5-Hydroxytryptamine receptors","
Histamine receptors","Dopamine receptors","SLC6 neurotransmitter transporter family","5-HT<sub>3</sub> receptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Neuronal System",Metabolism,"Signaling by GPCR","Infectious disease","Transmission across Chemical Synapses","Metabolism of lipids","GPCR ligand binding","Leishmania in
fection","Neurotransmitter clearance","Phospholipid metabolism","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Serotonin clearance from the synaptic cleft","Glycerop
hospholipid biosynthesis","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of PC","Serotonin receptors","Histamine receptors","Dopamine 
receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{DRD2,DRD3,HRH1,HTR1A,HTR4,SLC6A4}

> <broad_moa>
{"serotonin reuptake inhibitor"}

> <synonyms>
{"Vilazodone hydrochloride",163521-08-2,163521082,"Vilazodone HCl",Viibryd,UNII-U8HTX2GK8J,UNIIU8HTX2GK8J,"Vilazodone (Hydrochloride)",EMD-68843,EMD68843,U8HTX2GK8J,"EMD 68 843","Vilazodone hydrochlor
ide (USAN)","163521-08-2 (HCl)","163521082 (HCl)",CHEBI:70705,SB659746-A,SB659746A,"SB 659746A",SB-659746-A,EMD,T1279,T6232,S4259,Vilazodone}

> <pdid>
PD009553

> <targets>
{Others,5-HT Receptor,Serotonin Transporter}

> <classes>
{Others,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{6918313}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    8.7524   -0.7504    0.0000 Cl  0  0
    2.6030   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.2526   -1.3618    0.0000 C   0  0
    6.2524   -0.2436    0.0000 N   0  0
    5.4979    1.0528    0.0000 C   0  0
    4.0317    0.7359    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  4  1  0
  3  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12693

> <plate>
PLATE 022

> <well>
G3

> <supplier_cmpd_name>
Dexmedetomidine HCl

> <ctcr_id>
1298

> <supplier_cmpd_id>
T6466

> <smiles>
Cl.CC(c1c[nH]cn1)c2cccc(C)c2C

> <pd_targets>
{ADRA2B,ADRA2A,ADRA1A,ADRA1D,ADRA2C,NISCH,SLC6A2,MAOB,ADRA1B,MAOA}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein",Transporter,Enzyme,"Family A G protein-coupled receptor","Electrochemical transporter",Oxidoreductase,"Small molecule receptor (family A GPCR)","SLC supe
rfamily of solute carriers","Monoamine receptor","SLC06 neurotransmitter transporter family","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Catecholamine turnover",Adrenoceptors,"SLC6 neurotransmitter transporter family","Monoamine transpor
ter subfamily"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Signaling by GPCR","Disorders of transmembrane transporters","Biological oxidations","GPCR ligand binding","SLC transporter disorders","Phase I - Functionali
zation of compounds","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","Amine Oxidase reactions","Amine ligand-binding receptors","Biogenic amines are oxida
tively deaminated to aldehydes by MAOA and MAOB",Adrenoceptors}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Medetomidine hydrochloride","Medetomidine HCl",86347-15-1,86347151,"86347 15 1",Domitor,MPV785,"Medetomidine (hydrochloride)","MPV 785","4-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole hydrochloride","
4(1(2,3Dimethylphenyl)ethyl)1Himidazole hydrochloride","4 (1 (2,3 Dimethylphenyl)ethyl) 1H imidazole hydrochloride",106807-72-1,106807721,"106807 72 1",CHEBI:48556,MPV-785,4-(1-(2,4(1(2,"4 (1 (2",3-di
methylphenyl,3dimethylphenyl,"3 dimethylphenyl",S3060,S2090,"Dexmedetomidine HCl"}

> <pdid>
PD013841

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"","Neuronal Signaling"}

> <pubchem_cids>
{57515975,68601}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  0  0            999 V2000
   10.0973   -2.4974    0.0000 O   0  0
    7.5973   -2.4974    0.0000 O   0  0
    5.0973   -2.4974    0.0000 Cl  0  0
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6011   -3.0008    0.0000 C   0  0
   -1.3034   -3.7531    0.0000 O   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -5.2543   -3.7682    0.0000 C   0  0
   -5.9566   -4.8723    0.0000 C   0  0
   -5.6210   -6.4853    0.0000 C   0  0
   -4.1837   -6.4949    0.0000 C   0  0
   -4.6196   -4.9421    0.0000 N   0  0
   -6.3787   -4.4464    0.0000 C   0  0
   -7.5325   -4.6595    0.0000 C   0  0
   -9.0161   -4.7852    0.0000 C   0  0
   -9.8720   -3.5533    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  1  0
 24 25  2  0
 13 26  1  0
 26  9  1  0
 26 27  2  0
 27  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12694

> <plate>
PLATE 022

> <well>
G4

> <supplier_cmpd_name>
Quinine dihydrochloride

> <ctcr_id>
690

> <supplier_cmpd_id>
T4333

> <smiles>
O.O.Cl.COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1

> <pd_targets>
{AMPC,CYP2D6,KCNT1,SCN5A,CYP3A4,ABCB1,TSHR,BCHE,SCN1A,SCN2A,SCN3A,CYP2D1,KCND2,CYP2D26,KCNA5,SLC29A4,KCNH2,CYP2C9,CYP2D3,ALDH1A1,KCNH1,CYP2D4,TDP1,KCNA7,ABCC4,ABCB1B,SLC22A1,CACNA1C,SLCO1A1,SLC22A2,SL
C47A1,ABCB1A,CACNA1D,CACNA1F,CACNA1S,KCNK5,KCNT2,KCNK10,KCNH5,KCNU1,KCNK16,KCNA4,KCNK1,KCNK6,ADRA1A,ADRA1B,ADRA1D,SCN10A,SCN11A,SCN4A,SCN7A,SCN8A,SCN9A,HSD17B10,CHRM1,KCNB2,KCNK2,ABCB11,SLCO1A4,GP9,KC
NN4,KDM4E,THRB}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transporter,"Membrane receptor","Unclassified protein",Hydrolase,"Cytochrome P450","Voltage-gated ion channel","Primary active transporter","Family A G protein-coupled receptor",
"Electrochemical transporter",Oxidoreductase,"Cytochrome P450 family 2","Voltage-gated sodium channel","Cytochrome P450 family 3","ATP-binding cassette","Peptide receptor (family A GPCR)","Potassium c
hannels","SLC superfamily of solute carriers","Voltage-gated calcium channel","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2D","Cytochrome P450 family 3A","ABCB subfamily","Glycoh
ormone receptor","Voltage-gated potassium channel","SLC28 and SLC29 families of nucleoside transporters","Cytochrome P450 family 2C","ABCC subfamily","SLC22 family of organic cation and anion transpor
ters","SLC21/SLCO family of organic anion transporting polypeptides","SLC47 family of multidrug and toxin extrusion transporters","Two-pore domain potassium channel","Monoamine receptor","Cytochrome P
450 2D6","Cytochrome P450 3A4","Cytochrome P450 2D1","Cytochrome P450 2D2","SLC29 Facilitative nucleoside transporter family","Cytochrome P450 2C9","Cytochrome P450 2D3","Cytochrome P450 2D18","Adrene
rgic receptor","Acetylcholine receptor","Epigenetic regulator",Eraser,"Lysine demethylase","Calcium-activated potassium channel","Jumonji domain-containing","Transcription factor","Nuclear receptor","
Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Enzymes,"Ion channels",Transporters,Receptors,"Cytochrome P450","Voltage-gated ion channels","ATP-binding cassette transporter family","G protein-coupled receptors","Acetylcholine turnover","SLC supe
rfamily of solute carriers","CYP2 family: drug metabolising subset","Potassium channels","Voltage-gated sodium channels","CYP3 family","ABCB subfamily","Glycoprotein hormone receptors","SLC28 and SLC2
9 families of nucleoside transporters","ABCC subfamily","SLC22 family of organic cation and anion transporters","Voltage-gated calcium channels","SLC47 family of multidrug and toxin extrusion transpor
ters",Adrenoceptors,"Acetylcholine receptors (muscarinic)","Calcium- and sodium-activated potassium channels","Voltage-gated potassium channels","SLC29 family","Organic cation transporters (OCT)","Two
 P domain potassium channels","Chromatin modifying enzymes","1.14.11.- Histone demethylases","Nuclear hormone receptors","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{Metabolism,"Developmental Biology",Disease,"Muscle contraction","Neuronal System","Transport of small molecules","DNA Repair",Hemostasis,Reproduction,"Signal Transduction","Biological oxidations","Ne
rvous system development","Metabolism of lipids","Abacavir transport and metabolism","Infectious disease","Cardiac conduction","Potassium Channels","SLC-mediated transmembrane transport","DNA Double-S
trand Break Repair","Platelet activation","signaling and aggregation",Fertilization,"Signaling by GPCR","Metabolism of amino acids and derivatives","Phase I - Functionalization of compounds","Axon gui
dance","Biosynthesis of specialized proresolving mediators (SPMs)","Abacavir transmembrane transport","Leishmania infection","Phospholipid metabolism","Phase 1 - inactivation of fast Na+ channels","Vo
ltage gated Potassium channels","Transport of vitamins",nucleosides,"and related molecules","Phase 3 - rapid repolarisation","Nonhomologous End-Joining (NHEJ)","Response to elevated platelet cytosolic
 Ca2+","Transport of bile salts and organic acids","metal ions and amine compounds","Phase 4 - resting membrane potential","Tandem pore domain potassium channels","Sperm Motility And Taxes","GPCR liga
nd binding","Branched-chain amino acid catabolism","Cytochrome P450 - arranged by substrate type","L1CAM interactions","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Gly
cerophospholipid biosynthesis","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane","Ethanol oxidation","Platelet degranulation","Organic cation/anion/zwitterion 
transport","NCAM signaling for neurite out-growth","TWIK related potassium channel (TREK)","TWIK-related alkaline pH activated K+ channel (TALK)","Tandem of pore domain in a weak inwardly rectifying K
+ channels (TWIK)","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Interaction between L1 and Ankyrins","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infecti
on","Synthesis of PC","Organic cation transport","NCAM1 interactions","Amine ligand-binding receptors","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytoki
nes production",Adrenoceptors,"Muscarinic acetylcholine receptors","Diseases of hemostasis","Metabolism of steroids","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Ca2
+ activated K+ channels","Bile acid and bile salt metabolism","Defective factor IX causes hemophilia B","Synthesis of bile acids and bile salts","Defective F9 activation","Synthesis of bile acids and 
bile salts via 7alpha-hydroxycholesterol","Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of intracellular recep
tors"}

> <broad_targets>
{GP9,KCNB2,KCNN4,SLC29A4}

> <broad_moa>
{"hemozoin biocrystallization inhibitor"}

> <synonyms>
{6119-47-7,6119477,"Quinine hydrochloride dihydrate",CCG-208069,CCG208069,LS-14813,LS14813,DB-072905,DB072905,A833083,T4333,T0266,S2502,"Quinine dihydrochloride","Quinidine hydrochloride","Quinine HCl
 Dihydrate"}

> <pdid>
PD001767

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{21954274,53395171}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    4.0312   -5.2378    0.0000 S   0  0
    5.4984   -5.5497    0.0000 C   0  0
    6.2484   -4.2507    0.0000 C   0  0
    5.2447   -3.1359    0.0000 C   0  0
    6.1107   -6.9172    0.0000 C   0  0
    5.2311   -8.1322    0.0000 O   0  0
    7.6035   -7.0719    0.0000 N   0  0
    8.2168   -8.4417    0.0000 C   0  0  1  0  0  0
    9.7096   -8.5964    0.0000 C   0  0
   10.3229   -9.9662    0.0000 C   0  0
   11.8157  -10.1210    0.0000 C   0  0
   12.6952   -8.9059    0.0000 O   0  0
   12.4286  -11.4900    0.0000 O   0  0
    7.3392   -9.6593    0.0000 C   0  0
    5.8469   -9.5077    0.0000 O   0  0
    7.9537  -11.0276    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14  7  1  0
 14 15  2  0
 15  4  1  0
  2 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 16  2  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 24 23  1  1
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 24 30  1  0
 30 31  1  0
 30 32  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12695

> <plate>
PLATE 022

> <well>
G5

> <supplier_cmpd_name>
Raltitrexed

> <ctcr_id>
1323

> <supplier_cmpd_id>
T6632

> <smiles>
CN(Cc1ccc2N=C(C)NC(=O)c2c1)c3sc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O

> <pd_targets>
{TYMS,THYA,DHFR,DFRA17,FOLR2,SLC19A1,FOLR1,SLC46A1,FPGS}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Transporter,Transferase,Oxidoreductase,"Electrochemical transporter",Ligase,"SLC superfamily of solute carriers","SLC19 family of vitamin transporters","SLC46 family of fol
ate transporters"}

> <pathway_chembl>
{Enzymes,Transporters,"2.1.1.- Methyltransferases","1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","SLC19 family of vitamin transporters","SLC46 family of folate transporters"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Metabolism of proteins",Mitotic,"Metabolism of vitamins and cofactors","Post-translational protein modification","Mitotic G1 phase and G1/S transition","Metabolism of water-s
oluble vitamins and cofactors","Asparagine N-linked glycosylation","G1/S Transition","Metabolism of folate and pterines","Transport to the Golgi and subsequent modification","G1/S-Specific Transcripti
on","ER to Golgi Anterograde Transport","Cargo concentration in the ER"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RALTITREXED,S1192,Raltitrexed,CPD000469217,T6632,SAM001246796}

> <pdid>
PD002892

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{}

> <pubchem_cids>
{104758}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    5.0987   -2.7052    0.0000 Na  0  3
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 O   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.4133    1.7530    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0934   -6.1101    0.0000 S   0  0
   -0.5570   -7.5366    0.0000 C   0  0
   -2.0570   -7.5366    0.0000 C   0  0
   -2.5205   -6.1100    0.0000 C   0  0
   -3.9417   -5.6362    0.0000 S   0  0
   -4.2418   -4.1665    0.0000 O   0  0
   -5.3645   -5.1610    0.0000 O   0  0
   -5.0654   -6.6311    0.0000 N   0  5
   -6.4892   -6.1563    0.0000 C   0  0
   -6.9180   -4.7322    0.0000 O   0  0
   -8.4179   -4.7175    0.0000 N   0  0
   -8.8954   -6.1395    0.0000 C   0  0
  -10.3264   -6.5891    0.0000 C   0  0
   -7.6905   -7.0330    0.0000 C   0  0
   -7.6963   -8.5330    0.0000 Cl  0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  2  0
  9 10  1  0
 10 11  2  0
 11  3  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 15  2  0
 19 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 24  2  0
 29 30  1  0
M  CHG  2   1   1  23  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12696

> <plate>
PLATE 022

> <well>
G6

> <supplier_cmpd_name>
Sitaxentan sodium

> <ctcr_id>
1213

> <supplier_cmpd_id>
T6672

> <smiles>
[Na+].Cc1cc2OCOc2cc1CC(=O)c3sccc3[S](=O)(=O)[N-]c4onc(C)c4Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sitaxsentan sodium","Sitaxentan sodium",210421-74-2,210421742,Thelin,"Sitaxsentan (sodium)",UNII-6V9JH46E20,UNII6V9JH46E20,TBC-11251NA,TBC11251NA,6V9JH46E20,TBC-11251Z,TBC11251Z,"210421-74-2  (sodiu
m salt)","210421742  (sodium salt)","IPI 1040 (sodium);TBC11251 (sodium)","Sitaxentan sodium (USAN)",SITAXSEN,T6672,S3034}

> <pdid>

> <targets>
{"Endothelin Receptor","ETA Receptor"}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{11477084,101185768}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    7.7905   -6.0071    0.0000 O   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    1.2941   -3.7520    0.0000 C   0  0
    1.2894   -5.2521    0.0000 C   0  0
   -0.0120   -5.9981    0.0000 C   0  0
   -1.3087   -5.2440    0.0000 C   0  0
   -2.6123   -5.9877    0.0000 O   0  0
   -3.9086   -5.2314    0.0000 C   0  0
   -5.2123   -5.9751    0.0000 C   0  0
   -6.5086   -5.2188    0.0000 N   0  0
   -7.8115   -5.9621    0.0000 C   0  0
   -1.3040   -3.7440    0.0000 C   0  0
   -0.0027   -2.9981    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  3
  9  4  1  0
  3 10  2  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 14 16  1  0
 16 17  2  3
 17 11  1  0
 10 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 21 27  1  0
 27 28  2  3
 28 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12697

> <plate>
PLATE 022

> <well>
G7

> <supplier_cmpd_name>
(E/Z)-Endoxifen

> <ctcr_id>
11279

> <supplier_cmpd_id>
T4281

> <smiles>
CC/C(C1=CC=CC=C1)=C(C2=CC=C(O)C=C2)/C3=CC=C(OCCNC)C=C3

> <pd_targets>
{CYP19A1}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450","Cytochrome P450 family 19","Cytochrome P450 family 19A","Cytochrome P450 19A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450",CYP11,CYP17,CYP19,"CYP20 and CYP21 families"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Cytochrome P450 - arranged by substrate type","Endogenous sterols"}

> <broad_targets>
{ESR1}

> <broad_moa>
{"estrogen receptor antagonist"}

> <synonyms>
{E/Z)ENDOXIFE,Endoxifen,112093-28-4,112093284,Z-Endoxifen,ZEndoxifen,4-Hydroxy-N-desmethyltamoxifen,4HydroxyNdesmethyltamoxifen,(Z)-Endoxifen,(Z)Endoxifen,N-Desmethyl-4-hydroxytamoxifen,NDesmethyl4hyd
roxytamoxifen,110025-28-0,110025280,"Endoxifen free base",UNII-46AF8680RC,UNII46AF8680RC,4OHNDtam,"Endoxifen Z-Isomer","Endoxifen ZIsomer",(E/Z)-Endoxifen,(E/Z)Endoxifen,4-Hydroxy-N-desmethyl-tamoxife
n,C,T4281,T2280,"Endoxifen Z-isomer"}

> <pdid>
PD016536

> <targets>
{ER}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{10090750}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 18  0  0  0  0            999 V2000
   20.5999    1.5017    0.0000 Na  0  3
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 C   0  0
    3.9031    2.2508    0.0000 C   0  0
    2.6053    3.0031    0.0000 O   0  0
    5.2032    2.9990    0.0000 O   0  0
   10.3007    0.0004    0.0000 C   0  0
   11.5999    0.7500    0.0000 C   0  0
   12.8999    0.0000    0.0000 C   0  0
   14.1999    0.7500    0.0000 C   0  0
   15.4999    0.0000    0.0000 C   0  0
   16.7999    0.7500    0.0000 C   0  0
   18.0992    0.0004    0.0000 C   0  0
   14.2030    2.2508    0.0000 C   0  0
   12.9053    3.0031    0.0000 O   0  5
   15.5031    2.9990    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 15 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2   1   1  20  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12698

> <plate>
PLATE 022

> <well>
G8

> <supplier_cmpd_name>
Divalproex Sodium

> <ctcr_id>
5678

> <supplier_cmpd_id>
T6474

> <smiles>
[Na+].CCCC(CCC)C(O)=O.CCCC(CCC)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"DIVALPROEX SODIUM",76584-70-8,76584708,"Valproate semisodium",Epival,Depakote,"Sodium divalproate","Abbott 50711",Valdisoval,"Valproato semisodico",Delepsine,"Semisodium Valproate",Sprinkle,Valcote,
Valparin,Epilex,"Valproate semisodique","Sodium hydrogen d",T6474,S1703,"Divalproex Sodium"}

> <pdid>

> <targets>
{Others,Autophagy}

> <classes>
{Ubiquitin}

> <pubchem_cids>
{23663956,22227467}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    6.3982   -0.7520    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -7.7934   -1.5031    0.0000 N   0  3
   -7.7912   -3.0031    0.0000 C   0  0
   -9.0937   -0.7554    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17  8  1  0
 17 18  2  0
 18  5  1  0
 13 19  2  3
 19 20  1  0
 19 21  1  0
M  CHG  2   1  -1  19   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12699

> <plate>
PLATE 022

> <well>
G9

> <supplier_cmpd_name>
Methylene Blue

> <ctcr_id>
11280

> <supplier_cmpd_id>
T6888

> <smiles>
[Cl-].CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ACHE}

> <broad_moa>
{"guanylyl cyclase inhibitor","nitric oxide production inhibitor"}

> <synonyms>
{"methylene blue",61-73-4,61734,"Basic blue 9","Methylthioninium chloride","Swiss Blue","Solvent blue 8",Chromosmon,"3,7-Bis(dimethylamino)phenothiazin-5-ium chloride","3,7Bis(dimethylamino)phenothiaz
in5ium chloride","Methylene Blue N","Methylene Blue anhydrous","Bleu de methylene",Methylene,T6888,"Methylene Blue"}

> <pdid>

> <targets>
{"Tau aggregation","guanylate cyclase"}

> <classes>
{"Cytoskeletal Signaling",Others}

> <pubchem_cids>
{6099}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 38  0  0  1  0            999 V2000
   47.7975    1.1254    0.0000 Pt  0  2
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 O   0  5
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   18.1991    0.0004    0.0000 C   0  0
   24.5970    0.3758    0.0000 N   0  0
   23.2979    1.1258    0.0000 C   0  0  2  0  0  0
   23.2979    2.6258    0.0000 C   0  0
   21.9989    3.3758    0.0000 C   0  0
   20.6999    2.6257    0.0000 C   0  0
   20.6999    1.1257    0.0000 C   0  0
   21.9989    0.3757    0.0000 C   0  0  1  0  0  0
   21.9989   -1.1243    0.0000 N   0  0
   28.3976    2.2500    0.0000 O   0  5
   28.3976    0.7500    0.0000 C   0  0
   27.0983    0.0004    0.0000 O   0  0
   29.6976    0.0000    0.0000 C   0  0
   30.9976    0.7500    0.0000 C   0  0
   32.2976    0.0000    0.0000 C   0  0
   33.5976    0.7500    0.0000 C   0  0
   34.8976    0.0000    0.0000 C   0  0
   36.1976    0.7500    0.0000 C   0  0
   37.4976    0.0000    0.0000 C   0  0
   38.7975    0.7500    0.0000 C   0  0
   40.0975    0.0000    0.0000 C   0  0
   41.3975    0.7500    0.0000 C   0  0
   42.6975    0.0000    0.0000 C   0  0
   43.9975    0.7500    0.0000 C   0  0
   45.2968    0.0004    0.0000 C   0  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 19 18  1  1
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 24 25  1  6
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
M  CHG  3   1   2   4  -1  26  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12700

> <plate>
PLATE 022

> <well>
G10

> <supplier_cmpd_name>
Miriplatin

> <ctcr_id>
11281

> <supplier_cmpd_id>
T4368

> <smiles>
[Pt+2].O=C([O-])CCCCCCCCCCCCC.N[C@@H]1CCCC[C@H]1N.[O-]C(=O)CCCCCCCCCCCCC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AMY14200,MFCD04113190,Q27266621,T4368,Miriplatin}

> <pdid>
PD012460

> <targets>
{"DNA Alkylator/Crosslinker"}

> <classes>
{"DNA Damage/DNA Repair"}

> <pubchem_cids>
{9832045}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 15  0  0  1  0            999 V2000
   16.3933   -1.8789    0.0000 O   0  0
   13.8933   -1.8789    0.0000 Cl  0  5
   11.3933   -1.8789    0.0000 Cl  0  5
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    8.8933   -1.8789    0.0000 H   0  3
    6.3933   -1.8789    0.0000 H   0  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 11  2  0
 16 17  1  0
 17  8  1  0
M  CHG  4   2  -1   3  -1  18   1  19   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12701

> <plate>
PLATE 022

> <well>
G11

> <supplier_cmpd_name>
Pramipexole 2HCl Monohydrate

> <ctcr_id>
7576

> <supplier_cmpd_id>
T6951

> <smiles>
O.[Cl-].[Cl-].CCCN[C@H]1CCc2nc(N)sc2C1.[H+].[H+]

> <pd_targets>
{DRD3,DRD2,SIGMAR1,DRD4,DRD1,DRD5,HTR1A,ADRA2A,HTR2A,HTR7,ADRA2C,HRH2,ADRB2,HTR1B,ADRA2B}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Dopamine receptor","Serotonin receptor","Adrenergic receptor","Histamine rece
ptor"}

> <pathway_chembl>
{Receptors,"Other protein targets","G protein-coupled receptors","Sigma receptors","Dopamine receptors","5-Hydroxytryptamine receptors",Adrenoceptors,"Histamine receptors"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by GPCR","Infectious disease","GPCR ligand binding","SARS-CoV Infections","Leishmania infection","Class A/1 (Rhodopsin-like receptors)","Potential therapeutic
s for SARS","Leishmania parasite growth and survival","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Dopamine receptors","Serotonin receptors",A
drenoceptors,"ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{ADRA2A,ADRA2B,ADRA2C,DRD1,DRD2,DRD3,DRD4,DRD5,HTR1A,HTR1B,HTR1D,HTR2A,HTR2B,HTR2C}

> <broad_moa>
{"dopamine receptor agonist"}

> <synonyms>
{"Pramipexole dihydrochloride monohydrate",191217-81-9,191217819,Mirapex,"PRAMIPEXOLE HYDROCHLORIDE",UNII-3D867NP06J,UNII3D867NP06J,"Pramipexole hydrochloride hydrate",BI-Sifrol,BISifrol,"Pramipexole 
dihydrochloride hydrate",SND919CL2Y,CHEBI:51147,3D867NP06J,PNU-98528E,PNU98528E,"Pramipexole (",S2011,"Pramipexole 2HCl Monohydrate"}

> <pdid>
PD002907

> <targets>
{"Dopamine Receptor"}

> <classes>
{}

> <pubchem_cids>
{166589,91827764}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    2.1885    3.7539    0.0000 O   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    5.1065    0.0000    0.0000 N   0  0
    2.7248   -1.2135    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.6588    2.9478    0.0000 O   0  0
    5.1253    4.3743    0.0000 C   0  0
    6.5929    4.6844    0.0000 C   0  0
    9.0937   -0.6597    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 13  1  0
 11 19  1  0
 19  7  1  0
  2 20  1  0
 20 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12702

> <plate>
PLATE 022

> <well>
H2

> <supplier_cmpd_name>
Tinoridine hydrochloride

> <ctcr_id>
11282

> <supplier_cmpd_id>
T4313

> <smiles>
O=C(C1=C(N)SC2=C1CCN(CC3=CC=CC=C3)C2)OCC.Cl

> <pd_targets>
{FFP,MAPT,ALD,LMNA,KMT2A,MEN1,ADORA1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Other nuclear protein","Epigenetic regulator","Membrane receptor",Transferase,Protease,Reader,"Family A G protein-coupled receptor","Cysteine protease",Bromodomain,"
Small molecule receptor (family A GPCR)","Cysteine protease CA clan","Nucleotide-like receptor (family A GPCR)","Cysteine protease C1A family","Adenosine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Adenosine receptors"}

> <pathway_reactome>
{"Neuronal System","Cell Cycle","Signal Transduction","Transmission across Chemical Synapses",Mitotic,"Signaling by GPCR","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","G
PCR ligand binding","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Post NMDA receptor activation events","Mitotic Anaph
ase","Nucleotide-like (purinergic) receptors","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Adenosine P1 receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"anti-inflammatory agent"}

> <synonyms>
{"tinoridine hydrochloride","Tinoridine HCl",25913-34-2,25913342,"Y-3642 hydrochloride","Y3642 hydrochloride",Nonflamin,UNII-05IIB89IVA,UNII05IIB89IVA,05IIB89IVA,"25913-34-2 (HCl)","25913342 (HCl)","T
inoridine hydrochloride (JAN)",24237-55-6,24237556,Dimaten,"EINECS 247-342-9","EINECS 2473429",Tropisetron/,"EINECS 24",T4313,"Tinoridine hydrochloride"}

> <pdid>
PD014116

> <targets>
{COX,Glutathione Peroxidase}

> <classes>
{Neuroscience,Metabolic Enzyme/Protease}

> <pubchem_cids>
{134896}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 17  0  0  0  0            999 V2000
   11.4855   -3.3822    0.0000 H   0  3
    8.9855   -3.3822    0.0000 Cl  0  5
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 N   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12703

> <plate>
PLATE 022

> <well>
H3

> <supplier_cmpd_name>
Proguanil hydrochloride

> <ctcr_id>
4518

> <supplier_cmpd_id>
T4382

> <smiles>
[H+].[Cl-].CC(C)N=C(N)N=C(N)Nc1ccc(Cl)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Proguanil hydrochloride","Chloroguanide hydrochloride",Paludrine,637-32-1,637321,Diguanyl,"Chlorguanide hydrochloride","1-(p-Chlorophenyl)-5-isopropylbiguanide hydrochloride","1(pChlorophenyl)5isopr
opylbiguanide hydrochloride",UNII-R71Y86M0WT,UNIIR71Y86M0WT,Chloroquanil,Bigumal,"Tirian hydrochlori",1504211,Prestw-999,"CHLOROGUANIDE HYDROCHLORIDE"}

> <pdid>

> <targets>
{}

> <classes>
{antimalarial}

> <pubchem_cids>
{9570076,66685262,5359484,12498}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.7248   -1.2135    0.0000 B   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7891   -1.5185    0.0000 C   0  0
   -9.0855   -2.2730    0.0000 N   0  0
    3.1882   -2.6401    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  1  1  0
  3  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  3
  9  2  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 11  1  0
 14 17  1  0
 17 18  3  0
  1 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12704

> <plate>
PLATE 022

> <well>
H4

> <supplier_cmpd_name>
Crisaborole

> <ctcr_id>
11284

> <supplier_cmpd_id>
T4285

> <smiles>
B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)O

> <pd_targets>
{PDE4B,PDE4C,PDE4A,PDE4D,PDE7A,PDE1A,PDE3A,PDE3B}

> <pathway_gtopdb>
{Enzyme,Phosphodiesterase,"Phosphodiesterase 4","Phosphodiesterase 7","Phosphodiesterase 1","Phosphodiesterase 3","Phosphodiesterase 4B","Phosphodiesterase 4C","Phosphodiesterase 4A","Phosphodiesteras
e 4D","Phosphodiesterase 7A","Phosphodiesterase 1A","Phosphodiesterase 3A"}

> <pathway_chembl>
{Enzymes,"Cyclic nucleotide turnover/signalling",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","Intracellular signaling by second messengers","GPCR downstream signalling","DAG and IP3 signaling","G alpha (i) signalling events","G alpha (s) signalling e
vents","CaM pathway","Opioid Signalling","Calmodulin induced events","DARPP-32 events","Cam-PDE 1 activation"}

> <broad_targets>
{PDE4A,PDE4B,PDE4C,PDE4D}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{Crisaborole,906673-24-3,906673243,AN-2728,AN2728,"4-((1-Hydroxy-1,3-dihydrobenzo(c)(1,2)oxaborol-5-yl)oxy)benzonitrile","4((1Hydroxy1,3dihydrobenzo(c)(1,2)oxaborol5yl)oxy)benzonitrile",Eucrisa,"AN 27
28","5-(4-cyanophenoxy)-2,3-dihydro-1-hydroxy-2,1-benzoxaborole","5(4cyanophenoxy)2,3dihydro1hydroxy2,1benzoxaborole",UNII-Q2R47HGR7P,UNIIQ2R47HGR7P,"Crisaborole topical ointment 2",Q2R47,T4285}

> <pdid>
PD012854

> <targets>
{PDE4}

> <classes>
{Metabolism}

> <pubchem_cids>
{44591583}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0092   -6.0025    0.0000 O   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 N   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
   -2.6079  -12.0005    0.0000 C   0  0
   -1.3071  -12.7491    0.0000 C   0  0
   -0.0093  -11.9969    0.0000 O   0  0
   -1.3040  -14.2499    0.0000 N   0  0
   -0.0032  -14.9985    0.0000 C   0  0
    0.0020  -16.4985    0.0000 C   0  0
   -1.2944  -17.2531    0.0000 C   0  0
    1.3037  -17.2441    0.0000 C   0  0
    2.6001  -16.4896    0.0000 C   0  0
    2.5950  -14.9896    0.0000 C   0  0
    1.2933  -14.2441    0.0000 C   0  0
    1.2882  -12.7441    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 24  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12705

> <plate>
PLATE 022

> <well>
H5

> <supplier_cmpd_name>
Ranolazine

> <ctcr_id>
6856

> <supplier_cmpd_id>
T6633

> <smiles>
COc1ccccc1OCC(O)CN2CCN(CC2)CC(=O)Nc3c(C)cccc3C

> <pd_targets>
{BLM,NPSR1,PMP22,LMNA,SCN5A,KCNH2,SCN4A,SCN10A,SCN11A,SCN1A,SCN1B,SCN2A,SCN2B,SCN3A,SCN3B,SCN4B,SCN7A,SCN8A,SCN9A,KCNJ12,KCNJ14,KCNJ2,KCNJ4,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,
ADRA1A,ADRA1B,ADRA1D,ADRB1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Other nuclear protein","Ion channel","Family A G protein-coupled receptor","Voltage-gated ion channel",Kinase,"Peptide receptor (family A GPCR)","Vo
ltage-gated sodium channel","Protein Kinase","Potassium channels","Small molecule receptor (family A GPCR)","Short peptide receptor (family A GPCR)","AGC protein kinase group","Voltage-gated potassium
 channel","Monoamine receptor","Neuropeptide receptor","AGC protein kinase PKC family","Adrenergic receptor","AGC protein kinase PKC iota subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Neuropeptide S receptor","Voltage-gated sodium channels","Potassium channels",Adrenoceptors,"Voltage-gated potassi
um channels"}

> <pathway_reactome>
{"DNA Repair",Disease,"Developmental Biology","Cell Cycle","Muscle contraction","DNA Double-Strand Break Repair","Infectious disease","Nervous system development",Mitotic,"Cardiac conduction","Homolog
y Directed Repair","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Axon guidance","Phase 3 - rapid repolarisation","HDR through Homologous Recombinat
ion (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","L1CAM interactions","HDR through Homologous Recombination (HRR)","Anti-inflammat
ory response favouring Leishmania parasite infection","Mitotic Anaphase","Interaction between L1 and Ankyrins","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokine
s production","Nuclear Envelope (NE) Reassembly","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SCN10A,SCN9A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{RANOLAZINE,95635-55-5,95635555,Ranexa,CVT-303,CVT303,"Ranolazine (Ranexa)",RS-43285-003,RS43285003,142387-99-3,142387993,CHEBI:87690,C24H33N3O4,"CVT 303",NCGC00015897-02,NCGC0001589702,DSSTox_CID_251
96,DSSToxCID25196,DSSTox-CID-25196,"DSSTox CID 25196",DSSTox_RID_80743,DSSToxRID80743,DSSTox-RID-80743,"DSSTox RID 80743",DSSTox_GSID_45196,DSSToxGSID45196,DSSTox-GSID-45196,"DSSTox GSID 45196",(-)-Ra
nolazine,()Ranolazine,Ran4,Latixa,"RAN D",(+-)-Ranolazine,(+)Ranolazine,CAS-9563,CAS9563,T6633,1505366,Prestw-1092,Ranolazine}

> <pdid>
PD010150

> <targets>
{}

> <classes>
{antiischemic,antianginal}

> <pubchem_cids>
{56959}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  1  0            999 V2000
    3.8912   -5.2570    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    1.2948   -3.7516    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 I   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 O   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 I   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
 11 20  1  0
 20 21  1  0
 20 22  2  0
 22  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12706

> <plate>
PLATE 022

> <well>
H6

> <supplier_cmpd_name>
3,5-Diiodo-L-thyronine

> <ctcr_id>
11285

> <supplier_cmpd_id>
T4461

> <smiles>
O=C(O)[C@@H](N)Cc2cc(I)c(Oc1ccc(O)cc1)c(I)c2

> <pd_targets>
{PCNA}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle","Chromosome Maintenance","Telomere Maintenance","Extension of Telomeres","Telomere C-strand (Lagging Strand) Synthesis","Processive synthesis on the C-strand of the telomere","Removal of
 the Flap Intermediate from the C-strand"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"3,5DiiodoLthyronine",1041-01-6,1041016,Diiodothyronine,UNII-CAL3MRM51F,UNIICAL3MRM51F,"L-3,5-Diiodothyronine","L3,5Diiodothyronine",CAL3MRM51F,"(2S)-2-amino-3-(4-(4-hydroxyphenoxy)-3,5-diiodophenyl)
propanoic acid","(2S)2amino3(4(4hydroxyphenoxy)3,5diiodophenyl)propanoic acid",CHEMBL1877304,"Tyrosine, O-(4-hydroxyphenyl)-3,5-diiodo-","Tyrosine, O(4hydroxyphenyl)3,5diiodo",(S)-2-amino-3-(4-(4-h,(S
)2amino3(4(4h,T4461,"3,5-Diiodo-L-thyronine"}

> <pdid>
PD099091

> <targets>
{THR}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{92859}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 Cl  0  0
   -5.1852   -3.0098    0.0000 C   0  0  2  0  0  0
   -6.4828   -3.7624    0.0000 O   0  0
   -6.4800   -5.2624    0.0000 C   0  0  2  0  0  0
   -7.7799   -6.0126    0.0000 C   0  0
   -9.0793   -5.2631    0.0000 O   0  0
   -5.1795   -6.0099    0.0000 C   0  0  1  0  0  0
   -5.1767   -7.5099    0.0000 O   0  0
   -3.8819   -5.2575    0.0000 C   0  0  2  0  0  0
   -2.5815   -6.0051    0.0000 O   0  0
   -3.8847   -3.7575    0.0000 C   0  0  1  0  0  0
   -2.5871   -3.0051    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 16 11  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  1
 19 20  1  0
 18 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  1  1
 23 25  1  0
 25 16  1  0
 25 26  1  6
  7 27  1  0
 27 28  2  0
 28  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12707

> <plate>
PLATE 022

> <well>
H7

> <supplier_cmpd_name>
Dapagliflozin ((2S)-1,2-propanediol, hydrate)

> <ctcr_id>
7142

> <supplier_cmpd_id>
T4460

> <smiles>
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1

> <pd_targets>
{SLC5A2,SLC5A1,SLC5A11,SLC5A4}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC05 family of sodium-dependent glucose transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC5 family of sodium-dependent glucose transporters","Hexose transporter family","Sodium <i>myo</i>-inositol cotransporter transporters"}

> <pathway_reactome>
{Disease,"Transport of small molecules","Disorders of transmembrane transporters","SLC-mediated transmembrane transport","SLC transporter disorders","Transport of bile salts and organic acids","metal 
ions and amine compounds","Cellular hexose transport","Defective SLC5A2 causes renal glucosuria (GLYS1)","Defective SLC5A1 causes congenital glucose/galactose malabsorption (GGM)","Inositol transporte
rs"}

> <broad_targets>
{SLC5A1,SLC5A2}

> <broad_moa>
{"sodium/glucose cotransporter inhibitor"}

> <synonyms>
{Dapagliflozin,461432-26-8,461432268,BMS-512148,BMS512148,Forxiga,Farxiga,"BMS 512148",UNII-1ULL0QJ8UC,UNII1ULL0QJ8UC,"(1S)-1,5-Anhydro-1-C-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-D-glucitol","(1S
)1,5Anhydro1C(4chloro3((4ethoxyphenyl)methyl)phenyl)Dglucitol",1ULL0QJ8UC,CHEMBL429910,CHEBI:85078,"Dapagliflozin (USAN:INN)",T4460,T2389,S1548,"Dapagliflozin ((2S)-1,2-propanediol, hydrate)"}

> <pdid>
PD000129

> <targets>
{SGLT}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{9887712}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
   14.6088    2.1704    0.0000 F   0  0
   13.1424    1.8550    0.0000 C   0  0
   12.1364    2.9676    0.0000 F   0  0
   13.6027    3.2826    0.0000 F   0  0
   12.6811    0.4268    0.0000 C   0  0
   13.6867   -0.6861    0.0000 C   0  0
   13.2257   -2.1135    0.0000 C   0  0
   11.7590   -2.4280    0.0000 C   0  0
   10.7532   -1.3150    0.0000 C   0  0
   11.2144    0.1124    0.0000 C   0  0
    9.2853   -1.6273    0.0000 N   0  0
    8.8220   -3.0539    0.0000 C   0  0
    7.3549   -3.3660    0.0000 C   0  0
    6.3509   -2.2515    0.0000 N   0  0
    4.8823   -2.5608    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    6.8143   -0.8248    0.0000 C   0  0
    8.2815   -0.5127    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 25  1  0
 25 17  1  0
 25 26  2  0
 14 27  1  0
 27 28  1  0
 28 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12708

> <plate>
PLATE 022

> <well>
H8

> <supplier_cmpd_name>
Flibanserin

> <ctcr_id>
11286

> <supplier_cmpd_id>
T4297

> <smiles>
FC(F)(F)c1cccc(c1)N1CCN(CCn2c3ccccc3[nH]c2=O)CC1

> <pd_targets>
{HTR1A,HTR2A,DRD4,HTR1D,HTR1B,HTR2C}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Serotonin receptor","Dopamine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","5-Hydroxytryptamine receptors","Dopamine receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Serotonin receptors","Dopamine receptors"}

> <broad_targets>
{DRD4,HTR1A,HTR2A}

> <broad_moa>
{"serotonin receptor agonist"}

> <synonyms>
{Flibanserin,167933-07-5,167933075,"167933 07 5",Bimt-17,Bimt17,"Bimt 17",Addyi,Girosa,BIMT-17-BS,BIMT17BS,"BIMT 17 BS",UNII-37JK4STR6Z,UNII37JK4STR6Z,"UNII 37JK4STR6Z",37JK4STR6Z,"Female Viagra (Stre
et Name)","Flibanserin (USAN:INN)",Filbanserin.,"Addyi (TN)","Flibanserin (USAN/INN)","BIMT 17BS","Girosa (proposed t",T4297}

> <pdid>
PD009349

> <targets>
{5-HT1A,5-HT2A}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{6918248}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
   -1.7616   -9.1692    0.0000 C   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.9048   -5.7699    0.0000 C   0  0
    2.7505   -7.0088    0.0000 C   0  0
    4.2462   -6.8959    0.0000 N   0  0
    5.0949   -8.1338    0.0000 C   0  0
    6.5913   -8.0187    0.0000 C   0  0
    7.4399   -9.2566    0.0000 C   0  0
    8.9357   -9.1438    0.0000 C   0  0
    9.7813  -10.3827    0.0000 C   0  0
    9.1313  -11.7345    0.0000 C   0  0
    7.6355  -11.8474    0.0000 C   0  0
    6.7899  -10.6085    0.0000 C   0  0
    9.9774  -12.9741    0.0000 C   0  0
    9.3269  -14.3257    0.0000 C   0  0
   10.8224  -14.2134    0.0000 C   0  0
   11.4740  -12.8620    0.0000 C   0  0
   12.1245  -11.5104    0.0000 O   0  0
   12.3197  -14.1009    0.0000 O   0  0
    4.8963   -5.5441    0.0000 C   0  0
    4.0507   -4.3052    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  6  1  0
 14  9  1  0
  7 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 30 31  1  0
 30 32  2  0
 18 33  1  0
 33 34  1  0
 34 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12709

> <plate>
PLATE 022

> <well>
H9

> <supplier_cmpd_name>
Bilastine

> <ctcr_id>
11287

> <supplier_cmpd_id>
T4250

> <smiles>
CCOCCn1c(nc2ccccc12)C1CCN(CCc2ccc(cc2)C(C)(C)C(O)=O)CC1

> <pd_targets>
{HRH1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Histamine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Histamine receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Histamine receptors"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{Bilastine,202189-78-4,202189784,UNII-PA1123N395,UNIIPA1123N395,C28H37N3O3,PA1123N395,Bilaxten,Ilaxten,"Bilastine (INN)",Bilastinum,Bilatex,"Bilanoa (TN)",Bilastine/Bilastinum,"Bilastine (JAN/INN)",DS
STox_CID_31467,DSSToxCID31467,DSSTox-CID-31467,"DSSTox CID 31467",DSSTox_RID_97352,DSSToxRID97352,DSSTox-RID-97352,"DSSTox RID 97352",DSSTox_GSID_57678,DSSToxGSID57678,DSSTox-GSID-57678,"DSSTox GSID 5
7678",SCHEMBL991810,CHEMBL1,T4250}

> <pdid>
PD012754

> <targets>
{H1 receptor,Histamine Receptor}

> <classes>
{Immunology/Inflammation,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{185460}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  0  0            999 V2000
    5.1937   -3.0093    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -6.4995    5.2432    0.0000 F   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 N   0  0
    5.1887   -6.0105    0.0000 O   0  0
    8.9943    1.1165    0.0000 C   0  0
    8.9943   -0.3835    0.0000 S   0  0
    8.9943   -1.8835    0.0000 O   0  0
    7.6950   -1.1331    0.0000 O   0  0
   10.2936   -1.1331    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
  8 18  1  0
 18 19  2  0
 19  5  1  0
  2 20  1  0
 20 21  1  0
 20 22  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 24 27  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12710

> <plate>
PLATE 022

> <well>
H10

> <supplier_cmpd_name>
Safinamide mesylate

> <ctcr_id>
4974

> <supplier_cmpd_id>
T6651

> <smiles>
CC(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O.C[S](O)(=O)=O

> <pd_targets>
{MAOB,SIGMAR1,SCN9A,MAOA,SCN1A,SCN2A,SCN3A}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel",Oxidoreductase,"Voltage-gated ion channel","Voltage-gated sodium channel"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Ion channels","Catecholamine turnover","Sigma receptors","Voltage-gated ion channels","Voltage-gated sodium channels"}

> <pathway_reactome>
{Metabolism,Disease,"Developmental Biology","Biological oxidations","Infectious disease","Nervous system development","Phase I - Functionalization of compounds","SARS-CoV Infections","Axon guidance","
Amine Oxidase reactions","Potential therapeutics for SARS","L1CAM interactions","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Interaction between L1 and Ankyrins"}

> <broad_targets>
{MAOB}

> <broad_moa>
{"dopamine reuptake inhibitor","glutamate inhibitor","monoamine oxidase inhibitor"}

> <synonyms>
{"Fce 28073","(S)-2-((4-((3-Fluorobenzyl)oxy)benzyl)-amino)propanamide methanesulfonate","(S)2((4((3Fluorobenzyl)oxy)benzyl)amino)propanamide methanesulfonate",174756-44-6,174756446,SCHEMBL1665721,HMS
3654L12,FT-0697967,FT0697967,T6651,S1472,"Safinamide mesylate","Safinamide Mesylate"}

> <pdid>
PD008138

> <targets>
{MAO}

> <classes>
{Metabolism}

> <pubchem_cids>
{21935083}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8916    3.7585    0.0000 C   0  0
   -5.1932    3.0130    0.0000 F   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -2.5847    6.0040    0.0000 C   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
    0.0030    2.9951    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2948   -3.7517    0.0000 O   0  0
   -3.8926   -3.7566    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  7  1  0
 13 14  1  0
  5 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 15 20  2  0
 20  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12711

> <plate>
PLATE 022

> <well>
H11

> <supplier_cmpd_name>
Lumiracoxib

> <ctcr_id>
837

> <supplier_cmpd_id>
T6574

> <smiles>
Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1

> <pd_targets>
{PTGS2,PTGS1}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Biosynthesis of
 DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{Lumiracoxib,220991-20-8,220991208,Prexige,COX-189,COX189,"COX 189","Prexige;COX 189","2-((2-Chloro-6-fluorophenyl)amino)-5-methylbenzeneacetic acid","2((2Chloro6fluorophenyl)amino)5methylbenzeneaceti
c acid","2-(2-((2-chloro-6-fluorophenyl)amino)-5-methylphenyl)acetic acid","2(2((2chloro6fluorophenyl)amino)5methylphenyl)acetic acid",UNII-V91T9204HU,UNIIV91T9204HU,CHEMBL404108,2-(2-(2-chloro,2(2(2c
hloro,T6574,S2903}

> <pdid>
PD001138

> <targets>
{COX}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{151166}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 70 74  0  0  1  0            999 V2000
   -1.6953    3.5893    0.0000 H   0  0
   -3.1200    3.1200    0.0000 C   0  0  2  0  0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -8.0800    0.4300    0.0000 C   0  0  2  0  0  0
   -8.4778    1.8763    0.0000 O   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -7.8600   -2.2400    0.0000 C   0  0  1  0  0  0
   -9.2500   -2.5000    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0  1  0  0  0
  -10.7377    1.1027    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0  2  0  0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0  1  0  0  0
    2.3025   -7.3134    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    6.2500   -5.8600    0.0000 C   0  0  1  0  0  0
    7.5042   -6.6827    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0  2  0  0  0
    4.0188   -3.2852    0.0000 O   0  0
    3.3799   -4.6424    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0  2  0  0  0
    7.9345   -1.9281    0.0000 O   0  0
    5.8000   -0.4000    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    3.4300    0.8000    0.0000 C   0  0  1  0  0  0
    3.8662    2.2352    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    0.8000    1.1200    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0  2  0  0  0
   -0.7100    3.2100    0.0000 O   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
    1.7916    3.6903    0.0000 C   0  0  2  0  0  0
    1.5342    5.1681    0.0000 C   0  0
    3.2010    3.1746    0.0000 C   0  0
    4.3530    4.1366    0.0000 C   0  0  2  0  0  0
    5.7625    3.6231    0.0000 C   0  0
    6.9118    4.5869    0.0000 C   0  0
    6.6519    6.0642    0.0000 C   0  0  1  0  0  0
    5.2425    6.5777    0.0000 C   0  0  1  0  0  0
    4.0931    5.6139    0.0000 C   0  0
    4.9854    8.0564    0.0000 O   0  0
    6.1362    9.0186    0.0000 C   0  0
    7.8018    7.0285    0.0000 N   0  0
    7.6833    8.5111    0.0000 C   0  0
    9.0751    9.0703    0.0000 N   0  0
   10.0371    7.9194    0.0000 N   0  0
    9.2398    6.6489    0.0000 N   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  1
 12 14  1  0
 15 14  1  6
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 12  1  0
 18 19  1  1
 15 20  1  0
 20 21  1  0
 21 22  1  6
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  6
 31 33  1  0
 33 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  6
 39 40  1  0
 38 41  1  0
 41 42  1  1
 41 43  1  0
 43 44  1  0
 43 45  2  0
 45 46  1  0
 46 47  1  6
 46 48  1  0
 48 49  2  0
 48 50  1  0
 51 50  1  6
 51 52  1  0
 52 53  1  0
 53  2  1  0
 53 54  2  0
 51 55  1  0
 55 56  1  6
 55 57  1  0
 58 57  1  1
 58 59  1  0
 59 60  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 58  1  0
 62 64  1  1
 64 65  1  0
 61 66  1  1
 66 67  1  0
 67 68  2  3
 68 69  1  0
 69 70  2  3
 70 66  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12712

> <plate>
PLATE 023

> <well>
A2

> <supplier_cmpd_name>
Zotarolimus

> <ctcr_id>
11288

> <supplier_cmpd_id>
T6033

> <smiles>
[H][C@@]12CCCCN1C(=O)C(=O)[C@]1(O)O[C@@H](CC[C@H]1C)C[C@H](OC)\C(C)=C\C=C\C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)\C(C)=C\[C@@H](C)C(=O)C[C@H](OC2=O)[C@H](C)C[C@@H]1CC[C@@H]([C@@H](C1)OC)N1C=NN=N
1

> <pd_targets>
{MTOR,FKBP1A}

> <pathway_gtopdb>
{Enzyme,Kinase,Isomerase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Peptidyl-prolyl cis/trans isomerases",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","Signali
ng by TGF-beta Receptor Complex in Cancer","Transcriptional Regulation by TP53","Loss of Function of TGFBR1 in Cancer","Regulation of TP53 Activity","TGFBR1 LBD Mutants in Cancer","Regulation of TP53 
Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{FKBP1A}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{Zotarolimus,221877-54-9,221877549,ABT-578,ABT578,UNII-H4GXR80IZE,UNIIH4GXR80IZE,H4GXR80IZE,CHEMBL219410,"ABT 578",zotarilumus,Zatarolimus,"Zotarolimus (USAN:INN)","Zotarolimus (ABT-578)","Zotarolimus
 (ABT578)","Zotarolimus;  ABT-578","Zotarolimus;  ABT578",SCHEMBL67389,cc-709,cc709,"A 179578",GTPL7974,DTXSID50873387,CH,T6033}

> <pdid>
PD021569

> <targets>
{mTOR,FKBP-12,Others}

> <classes>
{PI3K/Akt/mTOR signaling,Others}

> <pubchem_cids>
{9876378}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  1  0            999 V2000
    3.1247   -2.0836    0.0000 O   0  0
    1.6332   -2.2426    0.0000 C   0  0
    1.0255   -3.6140    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  0
   -3.1255   -2.0835    0.0000 C   0  0  2  0  0  0
   -4.0116   -3.2949    0.0000 C   0  0
   -3.4064   -4.6683    0.0000 C   0  0
   -4.1675   -5.9460    0.0000 C   0  0
   -3.1657   -7.0625    0.0000 N   0  0
   -1.7944   -6.4548    0.0000 C   0  0
   -1.9485   -4.9628    0.0000 N   0  0
   -3.7308   -0.7102    0.0000 N   0  0
   -2.8447    0.5012    0.0000 C   0  0
   -1.8506    0.3932    0.0000 O   0  0
   -3.4499    1.8746    0.0000 C   0  0  2  0  0  0
   -2.6888    3.1523    0.0000 C   0  0
   -3.6906    4.2688    0.0000 C   0  0
   -5.0619    3.6611    0.0000 C   0  0
   -6.3597    4.4134    0.0000 O   0  0
   -4.9078    2.1691    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  4  2  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  6
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 11 18  1  0
 18 19  1  0
 19 20  2  0
 21 19  1  1
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12713

> <plate>
PLATE 023

> <well>
A3

> <supplier_cmpd_name>
Protirelin

> <ctcr_id>
11289

> <supplier_cmpd_id>
T6956

> <smiles>
O=C(N)[C@@H]3CCCN3C(=O)[C@H](Cc1cncn1)NC(=O)[C@@H]2CCC(=O)N2

> <pd_targets>
{THRB,TRHR,MLNR,TRH-R2}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor","Nuclear receptor","Family A G protein-coupled receptor","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Nuclear hormone receptor
 subfamily 1 group A","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group A member 2","Neuropeptide receptor"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","G protein-coupled receptors","1A. Thyroid hormone receptors","Thyrotropin-releasing hormone receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Signal Transduction","Post-translational protein modification","Signaling by GPCR",SUMOylation,"GPCR ligand binding","SUMO E3 ligases SUMOylate target proteins","Class A/1 (
Rhodopsin-like receptors)","SUMOylation of intracellular receptors","Peptide ligand-binding receptors"}

> <broad_targets>
{TRHR}

> <broad_moa>
{"thyrotropin releasing hormone receptor agonist"}

> <synonyms>
{protirelin,Thyroliberin,24305-27-9,24305279,Lopremone,"Thyrotropin-releasing hormone","Thyrotropinreleasing hormone",Rifathyroin,"Synthetic TRH",Thypinone,"Thyrotropin releasing hormone","TSH-releasi
ng factor","TSHreleasing factor","TSH-releasing hormone","TSHreleasing hormone",TRH,"Thyrotropic-releasing factor","Thyrotropicreleasing factor",Thyrotropin-re,Thyrotropinre,T6956,Protirelin}

> <pdid>
PD000196

> <targets>
{"Thyroid hormone receptor"}

> <classes>
{Others}

> <pubchem_cids>
{638678}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
   -9.5055   -3.7709    0.0000 C   0  0
   -8.0474   -3.4190    0.0000 N   0  0
   -7.0123   -4.5057    0.0000 C   0  0
   -5.5533   -4.1536    0.0000 C   0  0
   -4.5172   -5.2383    0.0000 C   0  0
   -3.0598   -4.8833    0.0000 C   0  0
   -2.6408   -3.4482    0.0000 C   0  0
   -3.6746   -2.3590    0.0000 C   0  0
   -5.1320   -2.7140    0.0000 C   0  0
   -1.2135   -2.9844    0.0000 C   0  0
    0.0000   -3.8661    0.0000 N   0  0
    1.2135   -2.9844    0.0000 C   0  0
    2.7062   -3.2328    0.0000 C   0  0
    3.6761   -2.0885    0.0000 C   0  0
    5.1520   -2.3564    0.0000 F   0  0
    3.1701   -0.6764    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    7.6534   -2.3620    0.0000 O   0  0
    8.9527   -1.6124    0.0000 P   0  0
    8.9527   -0.1124    0.0000 O   0  0
    8.9527   -3.1124    0.0000 O   0  0
   10.2520   -2.3620    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 10  2  0
 23 24  1  0
 24 12  1  0
 24 17  2  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12714

> <plate>
PLATE 023

> <well>
A4

> <supplier_cmpd_name>
Rucaparib

> <ctcr_id>
1217

> <supplier_cmpd_id>
T4463

> <smiles>
CNCc1ccc(cc1)c2[nH]c3cc(F)cc4C(=O)NCCc2c34.O[P](O)(O)=O

> <pd_targets>
{DYRK1A,PARP12,PARP1,PARP4,PARP3,PARP14,PRKD2,PARP2,PARP15,PARP10,TNKS2,PIM1,CDK1,TNKS,H6PD}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","CMGC protein kinase group","CAMK protein kinase group","CMGC protein kinase DYRK family","CAMK protein kinase PKD family","CAMK protein kinase PIM family",
"CMGC protein kinase CDK family","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Poly ADP-ribose polymerases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","Dual-specificity tyrosine-(Y)-phosph
orylation regulated kinase (DYRK) family","Protein kinase D (PKD) family","PIM family","Cyclin-dependent kinase (CDK) family","Dyrk1 subfamily","CDK1 subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,Metabolism,"DNA Repair","Signal Transduction",Mitotic,"Infectious disease","Metabolism of lipids","Base Excision Repair","Intracellular signaling by second messengers","Diseases 
of signal transduction by growth factor receptors and second messengers","Mitotic G1 phase and G1/S transition","Influenza Infection","SARS-CoV Infections","Sphingolipid metabolism","Resolution of Aba
sic Sites (AP sites)","PIP3 activates AKT signaling","FLT3 signaling in disease","Regulation of mitotic cell cycle","G0 and Early G1","Influenza Viral RNA Transcription and Replication","SARS-CoV-1 In
fection","Sphingolipid de novo biosynthesis","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","PTEN Regulation","Signaling by FLT3 ITD and TKD mutants","APC/C-mediated de
gradation of cell cycle proteins","vRNA Synthesis","Translation of structural proteins","POLB-Dependent Long Patch Base Excision Repair","Regulation of PTEN stability and activity","STAT5 activation d
ownstream of FLT3 ITD mutants","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Maturation of nucleoprotein","APC/C:Cdc20 mediated degradation of mitotic proteins","APC:
Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{PARP1,PARP2}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{"Rucaparib phosphate",459868-92-9,459868929,AG-014699,AG014699,PF-01367338,PF01367338,"Rucaparib (phosphate)","AG 014699","Rucaparib (AG-014699,PF-01367338)","Rucaparib (AG014699,PF01367338)",AG-1469
9,AG14699,AG-014447,AG014447,UNII-H3M9955244,UNIIH3M9955244,"459868-92-9 (phosphate)","459868929 (phosphate)","Rucaparib phosphate (USAN)",H3M99552,T4463,T6127,756644,S1098,Rucaparib,"Rucaparib Phosph
ate","Rucaparib (AG-014699 , PF-01367338)"}

> <pdid>
PD018527

> <targets>
{PARP}

> <classes>
{}

> <pubchem_cids>
{9931953}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  0  0            999 V2000
    1.2916   -5.2495    0.0000 C   0  0
    1.2948   -3.7495    0.0000 N   0  0
   -0.0028   -2.9971    0.0000 C   0  0
    2.5957   -3.0011    0.0000 C   0  0
    2.5990   -1.5003    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7504    0.0000 C   0  0
    3.9010    0.7496    0.0000 O   0  0
    3.8617   -2.2295    0.0000 C   0  0
    5.1601   -2.9806    0.0000 C   0  0
    6.4597   -2.2317    0.0000 C   0  0
    6.4610   -0.7317    0.0000 C   0  0
    5.1626    0.0194    0.0000 C   0  0
   10.2610    0.0000    0.0000 O   0  0
   10.2610   -1.5000    0.0000 C   0  0
    8.9617   -2.2496    0.0000 O   0  0
   11.5610   -2.2500    0.0000 C   0  0
   12.8610   -1.5000    0.0000 C   0  0
   14.1609   -2.2500    0.0000 C   0  0
   14.1609   -3.7500    0.0000 O   0  0
   15.4602   -1.5004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
  5 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 13  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12715

> <plate>
PLATE 023

> <well>
A5

> <supplier_cmpd_name>
Desvenlafaxine succinate hydrate

> <ctcr_id>
250

> <supplier_cmpd_id>
T6188

> <smiles>
CN(C)CC(c1ccc(O)cc1)C2(O)CCCCC2.OC(=O)CCC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Desvenlafaxine Succinate","WY 45233 succinate",448904-47-0,448904470,"Desvenlafaxine succinate anhydrous","O-Desmethylvenlafaxine succinate","ODesmethylvenlafaxine succinate",C16H25NO2.C4H6O4,"4-(2-
(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol succinate","4(2(dimethylamino)1(1hydroxycyclohexyl)ethyl)phenol succinate","Ventab DX",T6188,S4112,"Desvenlafaxine succinate hydrate"}

> <pdid>

> <targets>
{"5-HT Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{9800068}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 41  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3164   -2.2191    0.0000 C   0  0
   -1.3163   -2.2193    0.0000 O   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -0.0128    6.0039    0.0000 O   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -2.6191    7.4957    0.0000 O   0  0
   -3.9225    8.2398    0.0000 C   0  0
   -5.2164    7.4808    0.0000 O   0  0
   -6.5206    8.2218    0.0000 C   0  0
   -7.8136    7.4598    0.0000 C   0  0
   -7.8011    5.9598    0.0000 N   0  0
   -6.5310    9.7218    0.0000 C   0  0
   -7.8352   10.4628    0.0000 O   0  0
   -5.2372   10.4807    0.0000 C   0  0
   -5.2476   11.9807    0.0000 O   0  0
   -3.9330    9.7398    0.0000 C   0  0
   -2.6392   10.4988    0.0000 O   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2089    5.9859    0.0000 N   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -2.5984    1.4941    0.0000 N   0  0
   -3.8966    0.7411    0.0000 C   0  0
   -5.1969    1.4889    0.0000 O   0  0
   -3.8946   -0.7598    0.0000 C   0  0
   -2.5943   -1.5076    0.0000 O   0  0
   -5.1928   -1.5128    0.0000 C   0  0
   -5.1908   -3.0128    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  9 10  1  0
  9 11  1  0
  6 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 18  1  0
 27 28  1  0
 16 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 13  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12716

> <plate>
PLATE 023

> <well>
A6

> <supplier_cmpd_name>
Isepamicin sulfate

> <ctcr_id>
2120

> <supplier_cmpd_id>
T6549

> <smiles>
CNC1C(O)C(OCC1(C)O)OC2C(O)C(OC3OC(CN)C(O)C(O)C3O)C(N)CC2NC(=O)C(O)CN

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{Isepamicine,58152-03-7,58152037,NCGC00164587-01,NCGC0016458701,SCHEMBL152418,CHEMBL143422,Q554818,T6549,S2093,"Isepamicin sulfate",Isepamicin}

> <pdid>
PD014196

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{3755}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 52 54  0  0  1  0            999 V2000
   -2.4289    1.3069    0.0000 C   0  0
   -1.2813    2.2727    0.0000 C   0  0
    0.1200    1.7661    0.0000 C   0  0  1  0  0  0
    0.8286   -0.0881    0.0000 O   0  0
    2.3067    0.1720    0.0000 C   0  0
    2.8197    1.5816    0.0000 O   0  0
    3.2718   -0.9774    0.0000 C   0  0  1  0  0  0
    2.7587   -2.3869    0.0000 C   0  0
    4.7499   -0.7172    0.0000 C   0  0
    5.7170    0.4305    0.0000 O   0  0
    7.1946    0.1678    0.0000 C   0  0
    7.7126    1.5755    0.0000 C   0  0
    9.1907    1.8309    0.0000 C   0  0  1  0  0  0
   10.6746    2.0500    0.0000 C   0  0
    8.2153    2.9446    0.0000 O   0  0
    8.6627    4.3763    0.0000 C   0  0
   10.1509    0.6785    0.0000 C   0  0
   11.6290    0.9339    0.0000 O   0  0
    9.6330   -0.7293    0.0000 C   0  0
   10.5932   -1.8817    0.0000 C   0  0
    8.1549   -0.9846    0.0000 O   0  0
    5.7150   -1.8666    0.0000 C   0  0
    5.2019   -3.2762    0.0000 C   0  0
    7.1931   -1.6065    0.0000 C   0  0
    8.1554   -2.7582    0.0000 O   0  0
    7.6401   -4.1677    0.0000 C   0  0
    6.1619   -4.4232    0.0000 O   0  0
    5.6440   -5.8309    0.0000 C   0  0
    4.1659   -6.0863    0.0000 C   0  0
    6.6042   -6.9833    0.0000 C   0  0
    8.0823   -6.7280    0.0000 C   0  0
    8.6002   -5.3202    0.0000 C   0  0
   10.0783   -5.0649    0.0000 O   0  0
    9.0407   -7.8830    0.0000 N   0  0
    8.5208   -9.2900    0.0000 C   0  0
   10.5192   -7.6302    0.0000 C   0  0
    7.7061   -0.1969    0.0000 C   0  0  2  0  0  0
    8.1855    1.2244    0.0000 C   0  0
    8.6432   -1.3682    0.0000 O   0  0
    6.7410    0.9525    0.0000 C   0  0
    7.2541    2.3620    0.0000 C   0  0  1  0  0  0
    8.7312    2.6227    0.0000 C   0  0
    6.2890    3.5114    0.0000 C   0  0
    4.8109    3.2512    0.0000 N   0  0
    4.2978    1.8417    0.0000 C   0  0
    3.8458    4.4006    0.0000 C   0  0  2  0  0  0
    4.3588    5.8102    0.0000 C   0  0
    2.3677    4.1405    0.0000 C   0  0
    1.4037    5.2897    0.0000 O   0  0
    1.8546    2.7310    0.0000 C   0  0  1  0  0  0
    1.5257    1.2675    0.0000 C   0  0
    3.2478    3.2868    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 11  1  0
  9 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 26  1  0
 32 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
 24 37  1  0
 37 38  1  6
 37 39  1  0
 37 40  1  0
 40 41  1  0
 41 42  1  6
 41 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  1
 46 48  1  0
 48 49  1  0
 48 50  1  0
 50  3  1  0
 50 51  1  1
 50 52  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12717

> <plate>
PLATE 023

> <well>
A7

> <supplier_cmpd_name>
Azithromycin

> <ctcr_id>
7676

> <supplier_cmpd_id>
T6401

> <smiles>
CC[C@H]1OC(=O)[C@@H](C)C(OC2C[C@@](C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)C(O)[C@]1(C)O

> <pd_targets>
{LMNA,MLNR,CYP3A4,TSHR,PADI4}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor",Enzyme,"Family A G protein-coupled receptor","Cytochrome P450","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Short peptide receptor (famil
y A GPCR)","Cytochrome P450 family 3A","Glycohormone receptor","Motilin receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","3.5.3.15 Peptidyl arginine deiminases (PADI)","Motilin receptor","CYP3 family","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction",Metabolism,Disease,"Chromatin organization",Mitotic,"Signaling by GPCR","Metabolism of lipids","Infectious disease","Chromatin modifying enzymes","M Phase","GPCR li
gand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SP
Ms","Leishmania parasite growth and survival","Mitotic Anaphase","Peptide ligand-binding receptors","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Nuc
lear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{MLNR}

> <broad_moa>
{"bacterial 50S ribosomal subunit inhibitor"}

> <synonyms>
{azithromycin,Zithromax,83905-01-5,83905015,Sumamed,Zitromax,Zmax,Azithromycine,Azithromycinum,Hemomycin,Azasite,Azenil,"Azithromycine (French)","Azithromycinum (Latin)","AZITHROMYCIN DIHYDRATE",CP-62
993,CP62993,Azitromax,Misultina,Tromix,"CP 62993",C38H72N2O1,S1835,"Azithromycin (Zithromax)"}

> <pdid>
PD000892

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{447043}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
   12.6200   -0.0456    0.0000 Cl  0  0
   10.1200   -0.0456    0.0000 Cl  0  0
    3.7189    1.4401    0.0000 C   0  0
    2.4610    0.6927    0.0000 C   0  0
    2.4610   -0.7839    0.0000 C   0  0
    3.7189   -1.5131    0.0000 C   0  0
    5.0314   -0.7839    0.0000 C   0  0
    6.3257   -1.5131    0.0000 N   0  0
    7.6200   -0.7839    0.0000 C   0  0
    7.6200    0.6927    0.0000 C   0  0
    6.3257    1.4401    0.0000 N   0  0
    5.0314    0.6927    0.0000 C   0  0
    1.2943   -1.7136    0.0000 C   0  0
    0.8933    0.1823    0.0000 C   0  0
    1.2943    1.6224    0.0000 C   0  0
    0.0000    1.2943    0.0000 C   0  0
   -0.7839    0.0000    0.0000 N   0  0
    0.0000   -1.3672    0.0000 C   0  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  3  1  0
 12  7  1  0
  5 13  1  0
 13 14  1  0
 14 15  1  0
 15  4  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12718

> <plate>
PLATE 023

> <well>
A8

> <supplier_cmpd_name>
Varenicline

> <ctcr_id>
11290

> <supplier_cmpd_id>
T4246

> <smiles>
Cl.Cl.c1c4c(cc2nccnc12)C3CC4CNC3

> <pd_targets>
{CHRNA7,CHRNA3,CHRNB4,CHRNA4,CHRNB2,CHRNA2,CHRNA1,CHRNB1,CHRND,CHRNG,CHRNA6,CHRNB3,CHRNA5}

> <pathway_gtopdb>
{"Ion channel","Ligand-gated ion channel","Nicotinic acetylcholine receptor","Nicotinic acetylcholine receptor alpha subunit","Nicotinic acetylcholine receptor beta subunit"}

> <pathway_chembl>
{"Ion channels","Ligand-gated ion channels","Nicotinic acetylcholine receptors"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Acetylcholine binding and downstream events","Postsynaptic nicotinic acety
lcholine receptors","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors"}

> <broad_targets>
{CHRNA3,CHRNA4,CHRNA6,CHRNA7}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{"Varenicline dihydrochloride",866823-63-4,866823634,"Varenicline (dihydrochloride)",CHEMBL556954,EX-A4238,EXA4238,DB-076707,DB076707,FT-0701597,FT0701597,T4246,Varenicline}

> <pdid>
PD009927

> <targets>
{"¦Á4¦Â2 nAChR"}

> <classes>
{Neuroscience}

> <pubchem_cids>
{45263226}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 44 46  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 N   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -3.9149    9.7490    0.0000 C   0  0
   -5.2157   10.4975    0.0000 C   0  0
   -5.2188   11.9983    0.0000 C   0  0
   -6.5196   12.7469    0.0000 O   0  0
   -6.5227   14.2477    0.0000 C   0  0
   -7.8235   14.9963    0.0000 C   0  0
   -7.8266   16.4971    0.0000 C   0  0
   -9.1274   17.2456    0.0000 C   0  0
   -9.1305   18.7465    0.0000 C   0  0
  -10.4296   19.4965    0.0000 C   0  0
  -10.4296   20.9965    0.0000 C   0  0
   -9.1306   21.7466    0.0000 C   0  0
   -7.8316   20.9966    0.0000 C   0  0
   -7.8315   19.4966    0.0000 C   0  0
   14.1945    9.3774    0.0000 O   0  0
   12.8965    8.6255    0.0000 C   0  0
   12.8991    7.1255    0.0000 O   0  0
   11.5952    9.3733    0.0000 C   0  0
   11.5952   10.8733    0.0000 C   0  0
   10.2961   11.6233    0.0000 C   0  0
    8.9971   10.8733    0.0000 C   0  0
    7.6981   11.6233    0.0000 C   0  0
    6.3990   10.8733    0.0000 C   0  0
    6.3990    9.3733    0.0000 C   0  0
    7.6981    8.6233    0.0000 C   0  0
    8.9971    9.3733    0.0000 C   0  0
   10.2962    8.6233    0.0000 C   0  0
   10.2962    7.1233    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 37  1  0
 42 43  2  0
 43 34  1  0
 43 44  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12719

> <plate>
PLATE 023

> <well>
A9

> <supplier_cmpd_name>
Salmeterol Xinafoate

> <ctcr_id>
11291

> <supplier_cmpd_id>
T6653

> <smiles>
OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2.O=C(O)c2ccc1ccccc1c2O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NCGC00094372-01,NCGC0009437201,NCGC00094372-02,NCGC0009437202,NCGC00094372-04,NCGC0009437204,"salmeterol xinafoate",94749-08-3,94749083,"GR 33343X xinafoate","Salmeterol 1-hydroxy-2-naphthoate","Salm
eterol 1hydroxy2naphthoate","Salmeterol (xinafoate)","GR 33343 G",Salmetedur,SALMETEROLO,Arial,"Serevent diskus",MFCD008,T6653,"Salmeterol Xinafoate"}

> <pdid>

> <targets>
{"¦Â2-adrenergic receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{56801}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  1  0            999 V2000
   -5.0019    0.8454    0.0000 C   0  0
   -3.5348    0.5331    0.0000 N   0  0
   -2.5311    1.6478    0.0000 C   0  0
   -3.0705   -0.8941    0.0000 C   0  0
   -1.6026   -1.2066    0.0000 C   0  0
   -1.1384   -2.6339    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0  1  0  0  0
    1.8032   -3.1233    0.0000 O   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    0.0000    4.5008    0.0000 N   0  0
    0.7935   -4.3741    0.0000 C   0  0
   -0.1925   -5.5045    0.0000 C   0  0
    0.2934   -6.9236    0.0000 C   0  0
    1.7654   -7.2123    0.0000 C   0  0
    2.2513   -8.6314    0.0000 F   0  0
    2.7514   -6.0819    0.0000 C   0  0
    2.2654   -4.6628    0.0000 C   0  0
    6.5514   -0.1902    0.0000 O   0  0
    6.5514   -1.6902    0.0000 C   0  0
    5.2521   -2.4398    0.0000 O   0  0
    7.8514   -2.4402    0.0000 C   0  0
    7.8514   -3.9402    0.0000 O   0  0
    9.1506   -1.6906    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  7  1  0
 15 10  1  0
 12 16  1  0
 16 17  3  0
  7 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12720

> <plate>
PLATE 023

> <well>
A10

> <supplier_cmpd_name>
Escitalopram Oxalate

> <ctcr_id>
1892

> <supplier_cmpd_id>
T6493

> <smiles>
CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3.OC(=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Escitalopram oxalate",219861-08-2,219861082,Lexapro,Cipralex,"Escitalopram (oxalate)","(S)-Citalopram Oxalate","(S)Citalopram Oxalate","(S)-(+)Citalopram oxalate","(S)(+)Citalopram oxalate","(S)-(+)
-Citalopram Oxalate","(S)(+)Citalopram Oxalate",UNII-5U85DBW7LO,UNII5U85DBW7LO,5U85DBW7LO,"Lu 26-054-0","Lu 260540",C22H23FN2O5,Esertia,Seroplex,NCGC00095903-,NCGC00095903,SAM001246668,Prestw-1271,CPD
000469191,Escitalopram}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{146571}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 29  0  0  1  0            999 V2000
   -1.3765   -2.2800    0.0000 H   0  0
   -1.8601   -0.8600    0.0000 C   0  0  1  0  0  0
   -0.7000   -1.5801    0.0000 C   0  0
   -0.7000   -2.9402    0.0000 C   0  0  1  0  0  0
   -1.8601   -3.6202    0.0000 C   0  0
   -3.0602   -2.9402    0.0000 C   0  0  2  0  0  0
   -4.2202   -3.6202    0.0000 C   0  0
   -5.3803   -2.9402    0.0000 C   0  0  2  0  0  0
   -2.3401   -2.1401    0.0000 C   0  0
   -5.3803   -1.5801    0.0000 C   0  0
   -6.6911   -0.8509    0.0000 O   0  0
   -4.2202   -0.8600    0.0000 C   0  0
   -3.0602   -1.5801    0.0000 N   0  0
    0.6027   -3.6884    0.0000 O   0  0
    1.9013   -2.9360    0.0000 C   0  0
    1.8985   -1.4360    0.0000 O   0  0
    3.2027   -3.6835    0.0000 C   0  0
    3.3411   -5.1643    0.0000 C   0  0
    4.8084   -5.4757    0.0000 N   0  0
    5.5574   -4.1770    0.0000 C   0  0
    7.0245   -3.8647    0.0000 C   0  0
    7.4876   -2.4380    0.0000 C   0  0
    6.4835   -1.3236    0.0000 C   0  0
    5.0164   -1.6359    0.0000 C   0  0
    4.5533   -3.0626    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  6  5  1  6
  6  7  1  0
  8  7  1  1
  8  9  1  0
  9  2  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13  2  1  0
 13  6  1  0
  4 14  1  6
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 17  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12721

> <plate>
PLATE 023

> <well>
A11

> <supplier_cmpd_name>
Dolasetron

> <ctcr_id>
11292

> <supplier_cmpd_id>
T4568

> <smiles>
[H][C@]12C[C@@H](C[C@@H]3C[C@H](C1)C(=O)CN23)OC(=O)c1c[nH]c2ccccc12

> <pd_targets>
{KCNH2,HTR3A}

> <pathway_gtopdb>
{"Ion channel","Voltage-gated ion channel","Ligand-gated ion channel","Potassium channels","5HT3 receptor","Voltage-gated potassium channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Ligand-gated ion channels","Potassium channels","5-HT<sub>3</sub> receptors","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Muscle contraction","Neuronal System","Cardiac conduction","Transmission across Chemical Synapses","Phase 3 - rapid repolarisation","Neurotransmitter receptors and postsynaptic signal transmission"}

> <broad_targets>
{HTR3A}

> <broad_moa>
{"serotonin receptor antagonist"}

> <synonyms>
{dolasetron,115956-12-2,115956122,LSM-5418,LSM5418,"Anzemet Cinv",SCHEMBL42063,SCHEMBL42064,BIDD:GT0287,ZINC2688,CHEMBL2368925,DTXSID4048276,CHEBI:94561,HMS3886C21,HY-B0750,HYB0750,3594AH,BDBM50451546
,s5326,AKOS022184758,AKOS025404537,ZINC100019093,ZINC100038399,ZINC1031,T4568,Dolasetron}

> <pdid>
PD013087

> <targets>
{5-HT3}

> <classes>
{"GPCR/G Protein","Neuronal Signaling"}

> <pubchem_cids>
{3033818}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12722

> <plate>
PLATE 023

> <well>
B2

> <supplier_cmpd_name>
Amylmetacresol

> <ctcr_id>
11293

> <supplier_cmpd_id>
T4557

> <smiles>
CCCCCc1ccc(C)cc1O

> <pd_targets>
{RORC,SCN2A}

> <pathway_gtopdb>
{"Transcription factor","Ion channel","Nuclear receptor","Voltage-gated ion channel","Nuclear hormone receptor subfamily 1","Voltage-gated sodium channel","Nuclear hormone receptor subfamily 1 group F
","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Ion channels","Nuclear hormone receptors","Voltage-gated ion channels","1F. Retinoic acid-related orphans","Voltage-gated sodium channels"}

> <pathway_reactome>
{"Gene expression (Transcription)","Developmental Biology","RNA Polymerase II Transcription","Nervous system development","Generic Transcription Pathway","Axon guidance","Transcriptional regulation by
 RUNX3","L1CAM interactions","RUNX3 Regulates Immune Response and Cell Migration","Interaction between L1 and Ankyrins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Amylmetacresol,5-Methyl-2-pentylphenol,5Methyl2pentylphenol,1300-94-3,1300943,6-Pentyl-m-cresol,6Pentylmcresol,5-methyl-2-n-pentylphenol,5methyl2npentylphenol,6-Amyl-m-cresol,6Amylmcresol,6-n-Amyl-m-
cresol,6nAmylmcresol,6-n-Pentyl-m-cresol,6nPentylmcresol,amylmetacresolum,"Phenol, 5-methyl-2-pentyl-","Phenol, 5methyl2pentyl",UNII-05W904P57F,UNII05W904P57F,2-Amyl-5-methylphenol,2Amyl5methylphenol,
CHEBI:482,T4557}

> <pdid>
PD014224

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{14759}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 54 60  0  0  1  0            999 V2000
   -0.0020    7.5101    0.0000 C   0  0
   -1.3020    6.7619    0.0000 O   0  0
   -1.3051    5.2611    0.0000 C   0  0
   -2.6041    4.5111    0.0000 C   0  0
   -2.6041    3.0111    0.0000 C   0  0
   -1.3050    2.2611    0.0000 C   0  0
   -1.3050    0.7611    0.0000 N   0  0
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3000   -2.2500    0.0000 C   0  0
    1.3000   -3.7500    0.0000 C   0  0
    2.6000   -4.5000    0.0000 C   0  0
    3.9000   -3.7500    0.0000 C   0  0
    5.2000   -4.5000    0.0000 C   0  0  2  0  0  0
    6.4964   -5.2455    0.0000 C   0  0
    6.5000   -3.7500    0.0000 C   0  0  1  0  0  0
    6.5000   -2.2500    0.0000 O   0  0
    7.8000   -1.5000    0.0000 C   0  0
    9.0989   -2.2502    0.0000 O   0  0
    7.8000    0.0000    0.0000 N   0  0
    6.5000    0.7500    0.0000 C   0  0  2  0  0  0
    6.5000    2.2500    0.0000 C   0  0
    7.7989    3.0002    0.0000 O   0  0
    5.2000    3.0000    0.0000 N   0  0
    3.9000    2.2500    0.0000 C   0  0
    2.6000    3.0000    0.0000 C   0  0  1  0  0  0
    3.1500    4.4705    0.0000 C   0  0
    4.6500    4.4705    0.0000 C   0  0  1  0  0  0
    5.4943    5.7084    0.0000 C   0  0
    4.8428    7.0595    0.0000 O   0  0
    6.9910    5.5973    0.0000 N   0  0
    7.8365    6.8378    0.0000 C   0  0  2  0  0  0
    8.0060    8.2137    0.0000 C   0  0
    6.6547    7.5625    0.0000 C   0  0  1  0  0  0
    5.1663    7.6440    0.0000 C   0  0
    4.4871    8.9814    0.0000 C   0  0
    9.3332    6.7263    0.0000 C   0  0
    9.9842    5.3749    0.0000 O   0  0
   10.1789    7.9662    0.0000 N   0  0
   11.6755    7.8547    0.0000 S   0  0
   10.8309    6.6151    0.0000 O   0  0
   12.3265    6.5033    0.0000 O   0  0
   12.5212    9.0945    0.0000 C   0  0
   13.8213    9.6695    0.0000 C   0  0
   12.5821   10.5147    0.0000 C   0  0
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.2930    2.2612    0.0000 N   0  0
   -0.0060    3.0111    0.0000 C   0  0
   -0.0060    4.5111    0.0000 C   0  0
    5.2003   -0.0004    0.0000 C   0  0
    5.1993   -1.5004    0.0000 C   0  0
    3.9015    0.7500    0.0000 C   0  0
    3.9009   -0.7498    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 14 13  1  1
 14 15  1  0
 16 15  1  6
 16 14  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 26 25  1  6
 26 27  1  0
 27 28  1  0
 28 24  1  0
 28 29  1  1
 29 30  2  0
 29 31  1  0
 32 31  1  1
 32 33  1  0
 33 34  1  0
 34 32  1  0
 34 35  1  6
 35 36  2  0
 32 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  2  0
 40 42  2  0
 40 43  1  0
 43 44  1  0
 44 45  1  0
 45 43  1  0
 26 46  1  0
 46 47  1  0
 47  8  1  0
 47 48  2  0
 48 49  1  0
 49  6  1  0
 49 50  2  0
 50  3  1  0
 21 51  1  1
 51 52  1  0
 51 53  1  0
 51 54  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12723

> <plate>
PLATE 023

> <well>
B3

> <supplier_cmpd_name>
Grazoprevir

> <ctcr_id>
11294

> <supplier_cmpd_id>
T4547

> <smiles>
COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C4CC4)Oc3nc2c1)C(C)(C)C

> <pd_targets>
{NS3,NS4A,NS3/4A}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Protease,"Serine protease","Serine protease PA clan","Serine protease S29 family","Serine protease S29 regulatory subfamily"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"HCV inhibitor"}

> <synonyms>
{Grazoprevir,1350514-68-9,1350514689,MK5172,UNII-8YE81R1X1J,UNII8YE81R1X1J,"Grazoprevir monohydrate","Grazoprevir (MK5172)","MK 5172","MK-5172 ANHYDROUS","MK5172 ANHYDROUS","MK-5172 MONOHYDRATE","MK51
72 MONOHYDRATE",8YE81R1X1J,"1350514-68-9 (free)","1350514689 (free)","Grazoprevir (INN)","Grazoprevir anhydrous","MK-5172; Grazopr","MK5172; Grazopr",T4547}

> <pdid>
PD016328

> <targets>
{"NS3/4a protease"}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{44603531}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 18  0  0  0  0            999 V2000
   15.4003   -1.8751    0.0000 H   0  3
   12.9003   -1.8751    0.0000 Cl  0  5
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0964    0.7636    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2494    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12724

> <plate>
PLATE 023

> <well>
B4

> <supplier_cmpd_name>
Alprenolol

> <ctcr_id>
5246

> <supplier_cmpd_id>
T4560

> <smiles>
[H+].[Cl-].CC(C)NCC(O)COc1ccccc1CC=C

> <pd_targets>
{KDM4E,PMP22,TGR,HTR1A,FDFT1,ADRB1,ADRB2,ADRB3,LMNA,TDP1,NFKB1,CYP2D6,TSHR,CHRM1,CYP1A2}

> <pathway_gtopdb>
{"Epigenetic regulator","Unclassified protein",Enzyme,"Membrane receptor","Other nuclear protein","Other cytosolic protein",Eraser,"Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450","Ly
sine demethylase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 1","Jumonji domain-containing","Monoamine receptor","C
ytochrome P450 family 2D","Glycohormone receptor","Cytochrome P450 family 1A","Serotonin receptor","Adrenergic receptor","Cytochrome P450 2D6","Acetylcholine receptor","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","G protein-coupled receptors","Lanosterol biosynthesis pathway","Cytochrome P450","1.14.11.- Histone demethylases","5-Hydroxytryptamine receptors",Adre
noceptors,"CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","CYP1 family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Metabolism,Disease,"Cell Cycle","DNA Repair","Immune System","Nervous system development","Signaling by GPCR","Metabolism of lipids","Infectious disease"
,Mitotic,"DNA Double-Strand Break Repair","Cytokine Signaling in Immune system","Biological oxidations","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","Metaboli
sm of steroids","Leishmania infection","M Phase","Nonhomologous End-Joining (NHEJ)","Signaling by Interleukins","Phase I - Functionalization of compounds","Class A/1 (Rhodopsin-like receptors)","Regul
ation of cholesterol biosynthesis by SREBP (SREBF)","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Interleukin-1 family signaling","Cytochrome P450 - arranged by substrate
 type","Amine ligand-binding receptors","Activation of gene expression by SREBF (SREBP)","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Interleukin-1 signalin
g",Xenobiotics,"Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","CYP2E1 reactions","Musca
rinic acetylcholine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRB1,ADRB2}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{AKOS024364771,ST50997148,"1-((methylethyl)amino)-3-(2-prop-2-enylphenoxy)propan-2-ol, chloride","1((methylethyl)amino)3(2prop2enylphenoxy)propan2ol, chloride","Alprenolol HCl","1-(2-Allylphenoxy)-3-i
sopropylamino-2-propanol hydrochloride","1(2Allylphenoxy)3isopropylamino2propanol hydrochloride","1-Isopropylamino-3-(o-allylphenoxy)-2-propanol hydrochloride","1Isopropylamino3(oallylphenoxy)2propano
l hydrochloride",1-(2,1(2,T4560,2300166,Prestw-250,Alprenolol,ALPRENOLOL,"Alprenolol hydrochloride"}

> <pdid>
PD009678

> <targets>
{}

> <classes>
{"betaadrenergic blocker"}

> <pubchem_cids>
{43834352,657318,66368}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 65 73  0  0  1  0            999 V2000
   13.9599   -4.0136    0.0000 C   0  0
   12.5708   -3.4477    0.0000 O   0  0
   11.3849   -4.3675    0.0000 C   0  0
   11.5889   -5.8536    0.0000 O   0  0
    9.9950   -3.8013    0.0000 N   0  0
    8.8090   -4.7211    0.0000 C   0  0  1  0  0  0
    9.0101   -6.2084    0.0000 C   0  0
    7.8238   -7.1264    0.0000 C   0  0
   10.3981   -6.7772    0.0000 C   0  0
    7.4191   -4.1548    0.0000 C   0  0
    7.2151   -2.6688    0.0000 O   0  0
    6.2352   -5.0730    0.0000 N   0  0
    6.2725   -6.5725    0.0000 C   0  0
    4.8578   -7.0713    0.0000 C   0  0
    3.9463   -5.8801    0.0000 C   0  0
    4.8092   -4.6676    0.0000 C   0  0  1  0  0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.3339    2.5831    0.0000 C   0  0  1  0  0  0
   -4.8257    2.7399    0.0000 O   0  0
   -5.7073    1.5263    0.0000 C   0  0
   -7.1991    1.6831    0.0000 C   0  0
   -8.0808    0.4696    0.0000 C   0  0
   -7.4707   -0.9007    0.0000 C   0  0
   -5.9789   -1.0575    0.0000 C   0  0
   -5.0972    0.1560    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -9.5733    0.6264    0.0000 C   0  0
  -10.3037    1.9220    0.0000 C   0  0
  -11.7704    1.6078    0.0000 N   0  0
  -11.9248    0.1158    0.0000 C   0  0
  -10.5535   -0.4921    0.0000 N   0  0
  -13.2233   -0.6367    0.0000 C   0  0  2  0  0  0
  -13.2378   -2.1248    0.0000 C   0  0
  -14.6755   -2.5528    0.0000 C   0  0
  -15.5267   -1.3177    0.0000 C   0  0
  -14.6152   -0.1265    0.0000 N   0  0
  -15.0334    1.3122    0.0000 C   0  0
  -13.9949    2.3946    0.0000 O   0  0
  -16.4907    1.6711    0.0000 C   0  0  1  0  0  0
  -16.9095    3.1123    0.0000 N   0  0
  -18.3668    3.4711    0.0000 C   0  0
  -19.4053    2.3887    0.0000 O   0  0
  -18.7855    4.9123    0.0000 O   0  0
  -20.2420    5.2710    0.0000 C   0  0
  -17.5320    0.5902    0.0000 C   0  0
  -18.9881    0.9505    0.0000 C   0  0
  -17.1164   -0.8511    0.0000 C   0  0
   -2.4515    3.7970    0.0000 C   0  0
   -3.0589    5.1686    0.0000 C   0  0
   -2.1749    6.3804    0.0000 C   0  0
   -0.6834    6.2208    0.0000 C   0  0
   -0.0760    4.8493    0.0000 C   0  0
   -0.9600    3.6375    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  7  9  1  0
  6 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 12  1  0
 16 17  1  1
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  3
 21 17  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 34 35  1  0
 35 26  1  0
 35 36  2  0
 36 37  1  0
 37 25  1  0
 37 38  2  0
 38 22  1  0
 31 39  1  0
 39 40  1  0
 40 41  2  3
 41 42  1  0
 42 43  2  3
 43 39  1  0
 44 42  1  6
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 44  1  0
 48 49  1  0
 49 50  2  0
 49 51  1  0
 51 52  1  6
 52 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 51 57  1  0
 57 58  1  0
 57 59  1  0
 27 60  1  1
 60 61  2  0
 61 62  1  0
 62 63  2  0
 63 64  1  0
 64 65  2  0
 65 60  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12725

> <plate>
PLATE 023

> <well>
B5

> <supplier_cmpd_name>
Elbasvir

> <ctcr_id>
11295

> <supplier_cmpd_id>
T4544

> <smiles>
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1N=CC(=N1)c1ccc2n3[C@@H](Oc4cc(ccc4-c3cc2c1)C1C=NC(=N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{DTXSID10160043,AKOS025401976,AC-27741,AC27741,AC-28948,AC28948,T4544,Elbasvir}

> <pdid>
PD099005

> <targets>
{HCV NS5A,HCV}

> <classes>
{Microbiology&virology,Anti-infection}

> <pubchem_cids>
{71710947}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 27  0  0  0  0            999 V2000
   21.7928   -0.7520    0.0000 Cr  0  1
    3.8976   -0.7553    0.0000 O   0  5
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   11.5949   -0.7553    0.0000 O   0  5
   10.2945   -1.5031    0.0000 C   0  0
   10.2924   -3.0031    0.0000 O   0  0
    8.9963   -0.7500    0.0000 C   0  0
    8.9963    0.7500    0.0000 C   0  0
    7.6973    1.5000    0.0000 C   0  0
    6.3982    0.7500    0.0000 C   0  0
    6.3983   -0.7500    0.0000 C   0  0
    7.6973   -1.5000    0.0000 N   0  0
   19.2922   -0.7553    0.0000 O   0  5
   17.9918   -1.5031    0.0000 C   0  0
   17.9897   -3.0031    0.0000 O   0  0
   16.6936   -0.7500    0.0000 C   0  0
   16.6936    0.7500    0.0000 C   0  0
   15.3946    1.5000    0.0000 C   0  0
   14.0955    0.7500    0.0000 C   0  0
   14.0955   -0.7500    0.0000 C   0  0
   15.3946   -1.5000    0.0000 N   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
M  CHG  4   1   3   2  -1  11  -1  20  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12726

> <plate>
PLATE 023

> <well>
B6

> <supplier_cmpd_name>
Chromium picolinate

> <ctcr_id>
11296

> <supplier_cmpd_id>
T4575

> <smiles>
[Cr+3].[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Chromium picolinate",14639-25-9,14639259,"Chromium(III) Pyridine-2-carboxylate","Chromium(III) Pyridine2carboxylate","Chromium(III) Picolinate",chromiumpicolinate,UNII-S71T8B8Z6P,UNIIS71T8B8Z6P,C18H
12CrN3O6,"Chromium (III) picolinate;Cr(Pic)3","CCRIS 8310","chromium(3+) tripyridine-2-carboxyl","chromium(3+) tripyridine2carboxyl",T4575}

> <pdid>

> <targets>
{p38,DNA mutation,Others}

> <classes>
{MAPK,DNA Damage/DNA Repair,Others}

> <pubchem_cids>
{151932}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 31  0  0  1  0            999 V2000
   -1.3048   -9.7580    0.0000 C   0  0
   -1.3044   -8.2580    0.0000 C   0  0
   -0.0049   -7.5072    0.0000 O   0  0
   -0.0044   -6.0064    0.0000 C   0  0
   -1.3034   -5.2564    0.0000 O   0  0
    1.2951   -5.2556    0.0000 C   0  0  2  0  0  0
    2.1612   -5.7556    0.0000 C   0  0
    1.2956   -3.7547    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.0243   -5.7563    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    7.7858   -7.5171    0.0000 O   0  0
    6.4833   -9.7648    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  1
  6  8  1  0
  9  8  1  1
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
  9 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12727

> <plate>
PLATE 023

> <well>
B7

> <supplier_cmpd_name>
AHU-377

> <ctcr_id>
11297

> <supplier_cmpd_id>
T4574

> <smiles>
CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O

> <pd_targets>
{MME}

> <pathway_gtopdb>
{Enzyme,Protease,"Metallo protease","Metallo protease MAE clan","Metallo protease M13 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","MA: Metallo (M) Peptidases","M13: Neprilysin"}

> <pathway_reactome>
{"Immune System","Innate Immune System","Neutrophil degranulation"}

> <broad_targets>
{MME}

> <broad_moa>
{"neprilysin inhibitor"}

> <synonyms>
{HU37,Sacubitril,149709-62-6,149709626,AHU-377,AHU377,UNII-17ERJ0MKGI,UNII17ERJ0MKGI,"AHU 377",17ERJ0MKGI,MFCD00920862,AHU-377(Sacubitril),AHU377(Sacubitril),"Sacubitril (USAN:INN)",Neparvis,"Sacubitr
il (JAN/USAN/INN)",AMBZ0404,GTPL7857,SCHEMBL2707112,CHEMBL3137301,AOB2046,DTXSID20164370,CHEBI:13,T4574}

> <pdid>
PD009270

> <targets>
{Neprilysin}

> <classes>
{Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{9811834}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  1  0            999 V2000
   18.6453   -5.8824    0.0000 Cl  0  5
    3.8805   -1.4410    0.0000 O   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 O   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.5551   -4.4192    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    6.3098   -5.7131    0.0000 C   0  0
    7.0629   -7.0113    0.0000 N   0  0
    8.5629   -7.0113    0.0000 C   0  0
    9.3130   -8.3103    0.0000 C   0  0
    8.5631   -9.6094    0.0000 N   0  0
    7.0631   -9.6095    0.0000 C   0  0
    6.3130   -8.3105    0.0000 C   0  0
    9.3135  -10.9091    0.0000 C   0  0
    8.6906  -12.2596    0.0000 N   0  0
    9.8040  -13.2649    0.0000 S   0  0
   11.1032  -12.5168    0.0000 C   0  0
   12.5292  -12.9823    0.0000 C   0  0
   13.6453  -11.9802    0.0000 C   0  0
   13.3354  -10.5125    0.0000 C   0  0
   11.9095  -10.0470    0.0000 C   0  0
   10.7934  -11.0492    0.0000 C   0  0
   16.1453   -5.8824    0.0000 H   0  3
  2  3  2  0
  3  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  9  8  1  1
  9  4  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12  3  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 23  1  0
 31 26  1  0
M  CHG  2   1  -1  32   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12728

> <plate>
PLATE 023

> <well>
B8

> <supplier_cmpd_name>
Perospirone

> <ctcr_id>
5283

> <supplier_cmpd_id>
T4576

> <smiles>
[Cl-].O=C1[C@@H]2CCCC[C@@H]2C(=O)N1CCCCN3CCN(CC3)c4nsc5ccccc45.[H+]

> <pd_targets>
{LMNA,HTR2A,DRD4,DRD3,DRD2,HTR1A,HRH1,ADRA1A,ADRA1B,ADRA1D}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Serotonin receptor","Dopamine receptor","Histamine re
ceptor","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","5-Hydroxytryptamine receptors","Dopamine receptors","Histamine receptors"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction",Mitotic,"Signaling by GPCR","M Phase","GPCR ligand binding","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Mitotic Anaphase","Amine ligand
-binding receptors","Nuclear Envelope (NE) Reassembly","Serotonin receptors","Dopamine receptors","Histamine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{DRD2,DRD3,DRD4}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{"Perospirone hydrochloride",129273-38-7,129273387,"PEROSPIRONE HCl",SM-9018,SM9018,UNII-T884I76TMN,UNIIT884I76TMN,"Perospirone (hydrochloride)",T884I76TMN,Lullan,"129273-38-7 (HCl)","129273387 (HCl)"
,DSSTox_CID_26449,DSSToxCID26449,DSSTox-CID-26449,"DSSTox CID 26449",DSSTox_RID_81623,DSSToxRID81623,DSSTox-RID-81623,"DSSTox RID 81623",DSSTox_GSID_46449,DSSToxGSID46449,DSSTox-GSID-46449,"DSSTox GSI
D 46449",SMR000466362,"SM 9018",CAS-129273-38-7,CAS129273387,N,T4576,SAM001246688,Perospirone,CPD000466362}

> <pdid>
PD013068

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{67108545,115367}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    5.7036   -6.3609    0.0000 C   0  0
    4.2111   -6.5099    0.0000 C   0  0
    3.5939   -7.8779    0.0000 C   0  0
    2.1013   -8.0269    0.0000 O   0  0
    4.4688   -9.0963    0.0000 O   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 S   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
    1.8372   -5.2877    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  2  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12729

> <plate>
PLATE 023

> <well>
B9

> <supplier_cmpd_name>
Tiaprofenic acid

> <ctcr_id>
3250

> <supplier_cmpd_id>
T4561

> <smiles>
CC(C(O)=O)c1sc(cc1)C(=O)c2ccccc2

> <pd_targets>
{CASP5,CASP3,CASP1,CASP4,CASP9,PTGS2,PTGS1,HPGD,CYP2D6,CYP2C9,CYP2C19,CYP3A4,CYP1A2}

> <pathway_gtopdb>
{Enzyme,Protease,Oxidoreductase,"Cysteine protease","Cysteine protease CD clan","Cysteine protease C14 family","Cysteine protease C14A subfamily","Cytochrome P450","Cytochrome P450 family 2","Cytochro
me P450 family 3","Cytochrome P450 family 1","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 2D6","Cytochrome P450 2C9"
,"Cytochrome P450 2C19","Cytochrome P450 3A4","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","Eicosanoid turnover","CD: Cysteine (C) Peptidases",Cyclooxygenase,"C14: Caspase","Cytochrome P450","Prostaglandin synthases","CYP2 family: drug metabolising subs
et","CYP3 family","CYP1 family"}

> <pathway_reactome>
{"Programmed Cell Death","Gene expression (Transcription)","Immune System",Metabolism,Apoptosis,"RNA Polymerase II Transcription","Innate Immune System","Metabolism of lipids","Intrinsic Pathway for A
poptosis","Generic Transcription Pathway","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Biosynthesis of specialized proresolving mediators (SPMs)","Fa
tty acid metabolism","Apoptotic factor-mediated response","Transcriptional Regulation by TP53","NOD1/2 Signaling Pathway","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Cytochrome c
-mediated apoptotic response","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Activation of caspases through 
apoptosome-mediated cleavage","TP53 Regulates Transcription of Caspase Activators and Caspases","Formation of apoptosome","Regulation of the apoptosome activity","Biological oxidations","Phase I - Fun
ctionalization of compounds","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Biosynthesis of D-series resolvins",Xenobiotics,"Biosynthesis of maresins","CYP2E1 react
ions","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{RESTW49,"tiaprofenic acid",33005-95-7,33005957,Surgam,Tiaprofensaeure,"2-(5-benzoylthiophen-2-yl)propanoic acid","2(5benzoylthiophen2yl)propanoic acid","Acido tiaprofenico","Acide tiaprofenique","Aci
dum tiaprofenicum","5-Benzoyl-alpha-methyl-2-thiopheneacetic acid","5Benzoylalphamethyl2thiopheneacetic acid",2-(5-Benzyl-2-thienyl)propionsaeur,2(5Benzyl2thienyl)propionsaeur,T4561,Prestw-496,"Tiapro
fenic acid"}

> <pdid>
PD009458

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5468}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 32  0  0  1  0            999 V2000
    1.8177  -11.3743    0.0000 C   0  0
    2.4298  -10.0049    0.0000 C   0  0
    1.5502   -8.7888    0.0000 C   0  0
    2.1626   -7.4186    0.0000 C   0  0
    1.2830   -6.2026    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0  2  0  0  0
    3.3874   -4.6783    0.0000 O   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 C   0  0  2  0  0  0
    2.6401    0.8578    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0  2  0  0  0
   -2.6401    0.8578    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -3.1255   -2.0835    0.0000 C   0  0
   -4.0102   -3.2959    0.0000 C   0  0
   -3.4035   -4.6686    0.0000 C   0  0
   -4.2882   -5.8810    0.0000 C   0  0
   -3.6814   -7.2537    0.0000 C   0  0
   -4.5661   -8.4661    0.0000 C   0  0
   -6.0575   -8.3057    0.0000 O   0  0
   -3.9597   -9.8380    0.0000 O   0  0
    8.4881   -5.7907    0.0000 N   0  0
    8.4881   -4.2907    0.0000 C   0  0
    7.1882   -3.5407    0.0000 C   0  0
    5.8889   -4.2903    0.0000 O   0  0
    9.7881   -3.5407    0.0000 C   0  0
   11.0874   -4.2903    0.0000 O   0  0
    7.1642   -5.0576    0.0000 C   0  0
    7.1655   -6.5576    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  2  0
 10  9  1  6
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  0
 14 15  1  1
 14 16  1  0
 16 10  1  0
 16 17  1  1
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  1  0
 27 32  1  0
 32 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12730

> <plate>
PLATE 023

> <well>
B10

> <supplier_cmpd_name>
Dinoprost Tromethamine

> <ctcr_id>
2501

> <supplier_cmpd_id>
T4546

> <smiles>
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O.NC(CO)(CO)CO

> <pd_targets>
{ALDH1A1}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Ethanol oxidation"}

> <broad_targets>
{PTGDR,PTGDR2,PTGER1,PTGER2,PTGER3,PTGER4,PTGFR,TBXA2R}

> <broad_moa>
{"prostacyclin analog"}

> <synonyms>
{"Prostin F2 alpha,3-propanediol (1:1)","Prostin F2 alpha,3propanediol (1:1)","dinoprost tromethamine",Dinolytic,"PGF2-alpha tham","PGF2alpha tham",Zinoprost,38562-01-5,38562015,"Dinoprost trometamol"
,"PGF2alpha THAM","Prostalmon F","Prostin F2 alpha","Prostaglandin F2alpha tham","Panacelan F tromethamine sal",T4546,NSC196515,"NSC 196515","Dinoprost Tromethamine",583E}

> <pdid>
PD072736

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5282415,71684398}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 19  0  0  0  0            999 V2000
    2.5532   -4.4223    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12 13  1  0
 12 14  1  0
 14  7  2  0
 14 15  1  0
 15 16  2  0
 16  4  1  0
 16 17  1  0
 17  2  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12731

> <plate>
PLATE 023

> <well>
B11

> <supplier_cmpd_name>
Trioxsalen

> <ctcr_id>
2961

> <supplier_cmpd_id>
T4558

> <smiles>
Cc1oc2c(C)c3OC(=O)C=C(C)c3cc2c1

> <pd_targets>
{CYP3A4,KDM4E,ALDH1A1,MAPK1,CYP1A2,ADORA2A,HTR2C,MAOA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Cytochrome P450",Eraser,Oxidoreductase,Kinase,"Family A G protein-coupled receptor","Cytochrome P450 family 3","Lysine demethylase","Protein Kinase"
,"Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3A","Jumonji domain-containing","CMGC protein kinase group","Cytochrome P450 family 1A","Nucleotide-like r
eceptor (family A GPCR)","Monoamine receptor","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Cytochrome P450 1A1","Adenosine receptor","Serotonin receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Catecholamine turnover","CYP3 family","1.14.11.- Histone demethylases","CMGC: C
ontaining CDK",MAPK,GSK3,"CLK families","CYP1 family","Adenosine receptors","5-Hydroxytryptamine receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System",Disease,"Signal Transduction","Metabolism of lipids","Biological oxidations","Innate Immune System","Infectious disease","Signaling by GPCR","Biosynthesis of specialized pr
oresolving mediators (SPMs)","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Leishmania infection","GPCR ligand binding","Biosynthesis of DHA-derived SPMs","Ethanol oxidation
","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Amine Oxidase reactions","Biosy
nthesis of maresins","MyD88 cascade initiated on plasma membrane",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Biogenic amines are
 oxidatively deaminated to aldehydes by MAOA and MAOB","Biosynthesis of maresin-like SPMs","MAP kinase activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated 
anti-inflammatory cytokines production","Serotonin receptors","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{trioxsalen,3902-71-4,3902714,Trisoralen,Trioxysalen,Trimethylpsoralen,"4,5',8-Trimethylpsoralen","4,5',8Trimethylpsoralen","2',4,8-Trimethylpsoralen","2',4,8Trimethylpsoralen","2,5,9-Trimethyl-7H-fur
o(3,2-g)chromen-7-one","2,5,9Trimethyl7Hfuro(3,2g)chromen7one","Elder 8011",Trioxisaleno,Trioxysalene,Trioxysalenum,"4,5',8-Trimethylpsoralene","4,5',8Trimethylpsoralene",N,T4558,1500596,Prestw-709,Tr
ioxsalen,TRIOXSALEN}

> <pdid>
PD002100

> <targets>
{DNA Alkylator/Crosslinker}

> <classes>
{melanizing agent,antipsoriatic,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5585}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 29  0  0  1  0            999 V2000
    5.6965   -2.0612    0.0000 C   0  0
    4.2689   -2.5217    0.0000 C   0  0
    3.1600   -1.5200    0.0000 C   0  0  2  0  0  0
    2.7800   -0.3500    0.0000 C   0  0  1  0  0  0
    3.8392    0.7121    0.0000 O   0  0
    1.6300    0.0200    0.0000 N   0  0
    0.7500   -0.9200    0.0000 C   0  0
    1.0300   -2.0400    0.0000 C   0  0
    1.9300   -1.2500    0.0000 C   0  0
    1.9600    2.4200    0.0000 C   0  0
   -0.6500    2.5000    0.0000 C   0  0
   -1.6235    3.6412    0.0000 O   0  0
   -0.8900    0.6300    0.0000 C   0  0  1  0  0  0
    0.0000    1.5900    0.0000 C   0  0
    1.2500    1.2800    0.0000 C   0  0  2  0  0  0
   -0.5100   -0.5900    0.0000 C   0  0  1  0  0  0
   -1.5800   -1.3600    0.0000 N   0  0
   -1.6039   -2.8598    0.0000 C   0  0
   -2.6200   -0.5600    0.0000 C   0  0
   -3.9200   -0.8600    0.0000 C   0  0
   -4.8400    0.1200    0.0000 C   0  0
   -4.4200    1.3400    0.0000 C   0  0
   -3.0900    1.6300    0.0000 C   0  0
   -2.2100    0.6300    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  6
 15 14  1  1
 15  6  1  0
 15 10  1  0
 13 16  1  0
 16  7  1  6
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 13  1  0
 24 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12732

> <plate>
PLATE 023

> <well>
C2

> <supplier_cmpd_name>
Ajmaline

> <ctcr_id>
6783

> <supplier_cmpd_id>
T4550

> <smiles>
CC[C@@H]1[C@@H](O)N2C3CC1C4C(O)[C@@]5(C[C@H]24)[C@H]3N(C)c6ccccc56

> <pd_targets>
{SCN5A,AMPC,KMT2A,MEN1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN7A,SCN8A,SCN9A,KCNH2,CYP2D6}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Epigenetic regulator","Voltage-gated ion channel",Hydrolase,Reader,"Cytochrome P450","Voltage-gated sodium channel",Bromodomain,"Voltage-gated calcium channel","Potassium channe
ls","Cytochrome P450 family 2","Voltage-gated potassium channel","Cytochrome P450 family 2D","Cytochrome P450 2D6"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","Cytochrome P450","Voltage-gated sodium channels","Potassium channels","CYP2 family: drug metabolising subset","Voltage-gated calcium channels","Vo
ltage-gated potassium channels"}

> <pathway_reactome>
{"Developmental Biology","Muscle contraction",Metabolism,"Nervous system development","Cardiac conduction","Biological oxidations","Axon guidance","Phase 3 - rapid repolarisation","Phase I - Functiona
lization of compounds","L1CAM interactions","Cytochrome P450 - arranged by substrate type","NCAM signaling for neurite out-growth","Interaction between L1 and Ankyrins",Xenobiotics,"NCAM1 interactions
","CYP2E1 reactions"}

> <broad_targets>
{}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{LSM-21654,LSM21654,BSPBio_001720,BSPBio001720,BSPBio-001720,"BSPBio 001720",SPECTRUM1500656,MEGxp0_001517,MEGxp0001517,MEGxp0-001517,"MEGxp0 001517",CHEMBL3039338,ACon0_000526,ACon0000526,ACon0-00052
6,"ACon0 000526",ACon1_002121,ACon1002121,ACon1-002121,"ACon1 002121",CHEBI:110205,HMS1921O19,Pharmakon1600-01500656,Pharmakon160001500656,NSC757409,CCG-213770,CCG213770,NSC-757409,SBI-0207035.P001,SB
I0207035.P001,AB01563188_01,AB0156318801,AB01563188-01,"AB01563188 01",BRD-A48300215-001-03-0,BRDA48300215001030,Q27189586,T4550,1500656,Ajmaline,AJMALINE}

> <pdid>
PD001653

> <targets>
{}

> <classes>
{"& PAF blocker","antiarrhythmic (Class Ia): inhibits glucose uptake by mitochondria"}

> <pubchem_cids>
{16667686}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
   11.5990   -2.2469    0.0000 Cl  0  0
    9.0983   -0.7368    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 N   0  0
    6.4933    0.7599    0.0000 C   0  0
    5.1919    1.5058    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 S   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 10  1  0
 25 15  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12733

> <plate>
PLATE 023

> <well>
C3

> <supplier_cmpd_name>
Lucanthone

> <ctcr_id>
1343

> <supplier_cmpd_id>
T4569

> <smiles>
Cl.CCN(CC)CCNc1ccc(C)c2Sc3ccccc3C(=O)c12

> <pd_targets>
{APEX1,TOP2A,TOP1}

> <pathway_gtopdb>
{Enzyme,Isomerase}

> <pathway_chembl>
{Enzymes,"DNA topoisomerases"}

> <pathway_reactome>
{"DNA Repair","Cell Cycle","Metabolism of proteins","Base Excision Repair",Mitotic,"Post-translational protein modification","Resolution of Abasic Sites (AP sites)","Mitotic G1 phase and G1/S transiti
on",SUMOylation,"Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G0 and Early G1","SUMO E3 ligases SUMOylate target proteins","PCNA-Dependent Long Patch Base Excision Re
pair","Transcription of E2F targets under negative control by DREAM complex","SUMOylation of DNA replication proteins"}

> <broad_targets>
{APEX1,TOP1,TOP2A}

> <broad_moa>
{"endonuclease inhibitor"}

> <synonyms>
{"LUCANTHONE HYDROCHLORIDE",Tixantone,"Miracil D",Miracol,Nilodin,Scapuren,Schistosomicide,548-57-2,548572,"Lucanthone monohydrochloride","Ms. 752","NSC 14574","NIH 3127","79 T61","CBC 900139",UNII-91
8K9N56QZ,UNII918K9N56QZ,"BW 57223",DR-15771,DR15771,79T61,"B.W. 57-233","B.W. 57233",3735,T4569,NSC14574,Lucanthone,"Lucanthone Hydrochloride"}

> <pdid>
PD009341

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{57516051,11054}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 42  0  0  1  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7601    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   12.6842   -8.2321    0.0000 C   0  0
   13.3148   -6.8711    0.0000 C   0  0
   14.8040   -6.6922    0.0000 C   0  0
   13.7783   -5.4445    0.0000 S   0  0
   12.5647   -4.5628    0.0000 C   0  0  2  0  0  0
   11.6852   -3.3522    0.0000 C   0  0  2  0  0  0
   11.9225   -1.8764    0.0000 N   0  0
   13.3246   -1.3410    0.0000 C   0  0
   14.4884   -2.2874    0.0000 O   0  0
   13.5630    0.1407    0.0000 C   0  0
   14.9650    0.6761    0.0000 C   0  0
   15.2054    2.1568    0.0000 C   0  0
   16.6078    2.6890    0.0000 C   0  0
   17.7699    1.7406    0.0000 C   0  0
   17.5297    0.2600    0.0000 C   0  0
   16.1273   -0.2723    0.0000 C   0  0
   10.4717   -4.2339    0.0000 C   0  0
    8.9901   -3.9993    0.0000 O   0  0
   11.3512   -5.4445    0.0000 N   0  0
   11.8148   -6.8711    0.0000 C   0  0  1  0  0  0
   10.9316   -8.0814    0.0000 C   0  0
   11.5393   -9.4528    0.0000 O   0  0
    9.4400   -7.9224    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 22 21  1  1
 22 23  1  0
 23 24  1  1
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 23 34  1  0
 34 35  2  0
 34 36  1  0
 36 22  1  0
 36 37  1  0
 37 19  1  0
 37 38  1  6
 38 39  1  0
 38 40  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12734

> <plate>
PLATE 023

> <well>
C4

> <supplier_cmpd_name>
Procaine penicillin G

> <ctcr_id>
11298

> <supplier_cmpd_id>
T4553

> <smiles>
CCN(CC)CCOC(=O)c1ccc(N)cc1.CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{54-35-3,"Procaine Benzylpenicillin",UNII-1LW5K9CIR1,1LW5K9CIR1,Hostacillin,Hydracillin,Duphapen,Retardillin,Depocillin,Nopcaine,Vetspen,Vitablend,"Jenacillin O",Micro-Pen,"Penicillin procaine","Penza
l N 300",procain-penicillin,"Benzylpenicillin novocaine salt","Benzilpenillina procainica (DCIT)","Benzilpenillina procainica","EINECS 200-205-7",Procainebenzylpenicillin,CHEMBL1628385,C29H38N4O6S,DTX
SID30883227,MFCD00079285,AKOS015896161,"Penicillin G procaine salt monohydrate",DB09320,AS-15252,E707,O634,130P649,A830119,Q3435660,T4553,"Procaine penicillin G"}

> <pdid>
PD009257

> <targets>
{Antibiotic}

> <classes>
{Microbiology&virology}

> <pubchem_cids>
{5903}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 54 56  0  0  1  0            999 V2000
   -5.6256   -5.6904    0.0000 C   0  0
   -5.1619   -7.1170    0.0000 S   0  0
   -3.6940   -7.4297    0.0000 C   0  0
   -3.2301   -8.8570    0.0000 C   0  0
   -1.7622   -9.1698    0.0000 C   0  0  2  0  0  0
   -0.7600   -8.0526    0.0000 N   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -2.6933   -6.3162    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 C   0  0  2  0  0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2445   -5.8214    0.0000 N   0  0
    1.7084   -7.2487    0.0000 C   0  0
    0.7045   -8.3632    0.0000 O   0  0
    3.1763   -7.5614    0.0000 C   0  0
    3.6403   -8.9887    0.0000 C   0  0
    5.1081   -9.3015    0.0000 N   0  0
    5.5721  -10.7288    0.0000 C   0  0
    4.5682  -11.8434    0.0000 O   0  0
    7.0400  -11.0416    0.0000 O   0  0
    7.5040  -12.4689    0.0000 C   0  0
    8.9710  -12.7815    0.0000 C   0  0
    7.9670  -13.8956    0.0000 C   0  0
    6.5001  -13.5834    0.0000 C   0  0
   -1.2966  -10.5966    0.0000 C   0  0
   -0.3182  -10.8030    0.0000 O   0  0
   -2.2988  -11.7138    0.0000 N   0  0
   -1.8332  -13.1406    0.0000 C   0  0  1  0  0  0
   -0.3641  -13.4473    0.0000 C   0  0
    0.6368  -12.3290    0.0000 C   0  0
    0.3247  -11.3790    0.0000 O   0  0
    2.1052  -12.6356    0.0000 O   0  0
   -2.8354  -14.2578    0.0000 C   0  0
   -4.3031  -13.9482    0.0000 O   0  0
   -2.3698  -15.6846    0.0000 N   0  0
   -3.3720  -16.8018    0.0000 C   0  0  1  0  0  0
   -2.9064  -18.2286    0.0000 C   0  0
   -3.9086  -19.3458    0.0000 C   0  0
   -3.4454  -20.7725    0.0000 C   0  0
   -4.4492  -21.8871    0.0000 C   0  0
   -5.9164  -21.5750    0.0000 C   0  0
   -6.3797  -20.1483    0.0000 C   0  0
   -5.3758  -19.0338    0.0000 C   0  0
   -4.8411  -16.4951    0.0000 C   0  0
   -5.3094  -15.0700    0.0000 N   0  0
   -5.8415  -17.6128    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 14  1  0
  9 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
  5 33  1  0
 33 34  2  0
 33 35  1  0
 36 35  1  1
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  2  0
 36 41  1  0
 41 42  2  0
 41 43  1  0
 44 43  1  1
 44 45  1  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 50 51  2  0
 51 46  1  0
 44 52  1  0
 52 53  1  0
 52 54  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12735

> <plate>
PLATE 023

> <well>
C5

> <supplier_cmpd_name>
Pentagastrin

> <ctcr_id>
11299

> <supplier_cmpd_id>
T4579

> <smiles>
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

> <pd_targets>
{CCKAR,CCKBR}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Cholecystokinin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Cholecystokinin receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","GPCR downstream signalling","Class A/1 (Rhodopsin-like receptors)","G alpha (q) signalling events","Peptide ligand-binding receptors",
"Gastrin-CREB signalling pathway via PKC and MAPK"}

> <broad_targets>
{CCKBR}

> <broad_moa>
{"CCK receptor agonist"}

> <synonyms>
{5534-95-2,5534952,UNII-EF0NX91490,UNIIEF0NX91490,"AY 6608",AY-6608,AY6608,CHEMBL1328,EF0NX91490,ICI-50123,ICI50123,MFCD00076515,"ICI 50,123",DSSTox_CID_28918,DSSToxCID28918,DSSTox-CID-28918,"DSSTox C
ID 28918",DSSTox_RID_83185,DSSToxRID83185,DSSTox-RID-83185,"DSSTox RID 83185",DSSTox_GSID_48992,DSSToxGSID48992,DSSTox-GSID-48992,"DSSTox GSID 48992",Gastrodiagnost,Pentagastrina,Pentagastrine,Pentaga
strinum,Petogasrin,CAS-55,CAS55,T4579,Pentagastrin}

> <pdid>
PD000197

> <targets>
{Others,Cholecystokinin Receptor}

> <classes>
{Others,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{9853654}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 O   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  1  0  0  0
   -2.1131   -4.3307    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0  1  0  0  0
    1.0957   -4.0166    0.0000 C   0  0
    0.4768   -5.3829    0.0000 C   0  0
   -1.0139   -5.2166    0.0000 C   0  0  2  0  0  0
   -1.9863   -4.9830    0.0000 O   0  0
   -0.5505   -6.6303    0.0000 C   0  0
   -0.1053   -8.0627    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10  4  1  0
  5 11  1  0
 11 12  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  6
 17 18  1  0
 18 19  1  0
 19 14  1  0
 19 20  1  6
 19 21  1  0
 21 22  3  0
 23 16  1  1
 23  2  1  0
 23 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12736

> <plate>
PLATE 023

> <well>
C6

> <supplier_cmpd_name>
Tibolone

> <ctcr_id>
1957

> <supplier_cmpd_id>
T4549

> <smiles>
C[C@@H]1CC2=C(CCC(=O)C2)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@H]13

> <pd_targets>
{PGR,AR,ESR1,SLC6A4,CYP2C19}

> <pathway_gtopdb>
{"Transcription factor",Transporter,Enzyme,"Nuclear receptor","Electrochemical transporter","Cytochrome P450","Nuclear hormone receptor subfamily 3","SLC superfamily of solute carriers","Cytochrome P4
50 family 2","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group A","SLC06 neurotransmitter transporter family","Cytochrome P450 family 2C","Nuclear hormone rece
ptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group A member 1","Cytochrome P450 2C19"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Nuclear hormone receptors","SLC superfamily of solute carriers","Cytochrome P450","Steroid hormone receptors","SLC6 neurotransmitter transporter family","CYP2 family: 
drug metabolising subset","3C. 3-Ketosteroid receptors","3A. Estrogen receptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System",Metabolism,"RNA Polymerase II Transcription","Transmission across Chemical Synapses","Biological oxidations","Generic Transcription Pathway","Neuro
transmitter clearance","Phase I - Functionalization of compounds","Transcriptional regulation by RUNX2","Transcriptional regulation by RUNX1","Serotonin clearance from the synaptic cleft","Cytochrome 
P450 - arranged by substrate type","RUNX2 regulates bone development","RUNX1 regulates estrogen receptor mediated transcription",Xenobiotics,"RUNX2 regulates osteoblast differentiation","CYP2E1 reacti
ons"}

> <broad_targets>
{ESR1}

> <broad_moa>
{"androgen receptor agonist","estrogen receptor agonist","progesterone receptor agonist"}

> <synonyms>
{tibolone,5630-53-5,5630535,Liviella,Livial,Tibolona,Tibolonum,Xyvion,"Org OD 14",Boltin,UNII-FF9X0205V2,UNIIFF9X0205V2,17-Hydroxy-7alpha-methyl-19-nor-17alpha-pregn-5(10)-en-20-yn-3-one,17Hydroxy7alp
hamethyl19nor17alphapregn5(10)en20yn3one,CHEBI:32223,FF9X0205V2,DSSTox_CID_3667,DSSToxCID3667,DSSTox-CID-3667,"DSSTox CID 3667",(7alpha,17alpha)-17-hydroxy-7-methyl-19-nor,17alpha)17hydroxy7methyl19no
r,T4549,SAM001246801,Prestw-1181,Tibolone,CPD000469219}

> <pdid>
PD001672

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{444008}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 19  0  0  0  0            999 V2000
    7.6894   -3.0059    0.0000 Cl  0  0
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5886   -6.0033    0.0000 C   0  0
    1.2919   -5.2492    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -5.1996    1.4928    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 14 19  1  0
 19 20  2  0
 20 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12737

> <plate>
PLATE 023

> <well>
C7

> <supplier_cmpd_name>
Propacetamol Hydrochloride

> <ctcr_id>
11300

> <supplier_cmpd_id>
T4545

> <smiles>
Cl.CCN(CC)CC(=O)Oc1ccc(NC(C)=O)cc1

> <pd_targets>
{PTGS1,PTGS2,TRPV1,CNR1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor",Oxidoreductase,"Voltage-gated ion channel","Family A G protein-coupled receptor","Transient receptor potential channel","Small molecule receptor (family A GPC
R)","Lipid-like ligand receptor (family A GPCR)","Cannabinoid receptor"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Eicosanoid turnover","Voltage-gated ion channels","G protein-coupled receptors",Cyclooxygenase,"Transient Receptor Potential channels","Cannabinoid receptors"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Signal Transduction","Metabolism of lipids","Ion channel transport","Signaling by GPCR","Fatty acid metabolism","Biosynthesis of specialized proresolving me
diators (SPMs)","Stimuli-sensing channels","GPCR downstream signalling","Arachidonic acid metabolism","Biosynthesis of DPA-derived SPMs","TRP channels","G alpha (i) signalling events","Synthesis of Pr
ostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of DPAn-3 SPMs"}

> <broad_targets>
{PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{"Propacetamol hydrochloride",66532-86-3,66532863,"Propacetamol HCL","4-Acetamidophenyl 2-(diethylamino)acetate hydrochloride","4Acetamidophenyl 2(diethylamino)acetate hydrochloride",UNII-SH41QYH8E5,U
NIISH41QYH8E5,"4-Acetamidophenyl N,N-diethylaminoacetate monohydrochloride","4Acetamidophenyl N,Ndiethylaminoacetate monohydrochloride",SH41QYH8E5,"Pro-efferalgan; UP","Proefferalgan; UP",T4545,"Propa
cetamol Hydrochloride"}

> <pdid>
PD008969

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{108082}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 27  0  0  0  0            999 V2000
    7.5987    5.2771    0.0000 H   0  3
    5.0987    5.2771    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -1.2925    3.7494    0.0000 C   0  0
    0.0041    2.9953    0.0000 O   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.1937    3.0092    0.0000 C   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -2.5917    6.0086    0.0000 C   0  0
   -2.5912    7.5095    0.0000 C   0  0
   -1.2924    8.2599    0.0000 O   0  0
   -5.1894    6.0109    0.0000 S   0  0
   -5.1873    7.5117    0.0000 S   0  0
   -6.4855    8.2648    0.0000 C   0  0
   -6.4834    9.7656    0.0000 C   0  0
   -7.6939   10.6296    0.0000 C   0  0
   -7.2254   12.0546    0.0000 C   0  0
   -5.7254   12.0494    0.0000 C   0  0
   -5.2668   10.6212    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 21  1  0
  7 26  1  0
 26 27  1  0
 26 28  2  0
 28  4  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12738

> <plate>
PLATE 023

> <well>
C8

> <supplier_cmpd_name>
Fursultiamine

> <ctcr_id>
2059

> <supplier_cmpd_id>
T4552

> <smiles>
[H+].[Cl-].Cc1ncc(CN(C=O)C(\C)=C(/CCO)SSCC2CCCO2)c(N)n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"vitamin B"}

> <synonyms>
{"fursultiamine hydrochloride","Fursultimine hydrochloride",2105-43-3,2105433,"TTFD hydrochloride",CHEBI:81714,STEARIDONICACID,"Thiamine tetrahydrofurfuryl disulfide HCl",NCGC00183101-01,NCGC001831010
1,CAS-2105-43-3,CAS2105433,DSSTox_CID_28528,DSSToxCID28528,DSSTox-CID-28528,"DSSTox CID 28528",DSSTox_RID_82800,DSSToxRID82800,DSSTox-RID-82800,"DSSTox RID 82800",T4552,Prestw-1007,Fursultiamine,"Furs
ultiamine Hydrochloride"}

> <pdid>
PD009154

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{9845819}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 44  0  0  1  0            999 V2000
   29.4983   -1.1221    0.0000 Cl  0  0
   26.9983   -1.1221    0.0000 Cl  0  0
   24.4983   -1.1221    0.0000 O   0  0
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4964    0.7591    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    3.8995    0.7554    0.0000 C   0  0
    5.1983    1.5058    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0  1  0  0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   21.9976   -1.4883    0.0000 C   0  0
   20.6970   -0.7409    0.0000 C   0  0
   20.6944    0.7591    0.0000 C   0  0
   19.3984   -1.4932    0.0000 N   0  0
   18.0971   -0.7455    0.0000 C   0  0  2  0  0  0
   18.0975    0.7554    0.0000 C   0  0
   19.3963    1.5058    0.0000 C   0  0
   16.7984   -1.4977    0.0000 C   0  0  1  0  0  0
   16.8010   -2.9977    0.0000 O   0  0
   15.4971   -0.7500    0.0000 C   0  0
   15.4971    0.7500    0.0000 C   0  0
   14.1980    1.5000    0.0000 C   0  0
   12.8990    0.7500    0.0000 C   0  0
   11.6000    1.5000    0.0000 O   0  0
   12.8990   -0.7500    0.0000 C   0  0
   11.6000   -1.5000    0.0000 N   0  0
   11.6000   -3.0000    0.0000 C   0  0
   10.3009   -3.7500    0.0000 O   0  0
   12.8990   -3.7500    0.0000 C   0  0
   14.1981   -3.0000    0.0000 C   0  0
   14.1980   -1.5000    0.0000 C   0  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  3
 23 24  1  0
 24 13  1  0
 24 18  2  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 29 28  1  1
 29 30  1  0
 30 31  1  0
 29 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
 43 44  2  3
 44 45  1  0
 45 39  2  0
 45 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12739

> <plate>
PLATE 023

> <well>
C9

> <supplier_cmpd_name>
Procaterol hydrochloride

> <ctcr_id>
11301

> <supplier_cmpd_id>
T4548

> <smiles>
Cl.Cl.O.CC(C)N[C@H](CC)[C@@H](O)c1ccc(O)c2NC(=O)C=Cc12.CC(C)N[C@H](CC)[C@@H](O)c2ccc(O)c1NC(=O)C=Cc12

> <pd_targets>
{CYP2D6,CYP2C19,FFP,CYP2C9,CYP1A2,KMT2A,MEN1,KDM4E,TSHR,ADRB2,DRD2,LMNA,GAA,HIF1A}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Other nuclear protein","Transcription factor","Cytochrome P450",Transferase,Reader,Eraser,"Family A G protein-coupled receptor",Hydrolase,"Cytochrom
e P450 family 2","Cytochrome P450 family 1",Bromodomain,"Lysine demethylase","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2D","Cytochrome P450 f
amily 2C","Cytochrome P450 family 1A","Jumonji domain-containing","Glycohormone receptor","Monoamine receptor","Cytochrome P450 2D6","Cytochrome P450 2C19","Cytochrome P450 2C9","Cytochrome P450 1A1",
"Adrenergic receptor","Dopamine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Chromatin modifying enzymes","G protein-coupled receptors","3.2.1.- Glycosidases","CYP2 family: drug metabolising subset","CYP1 family","1.14.11.- Histone demethy
lases","Glycoprotein hormone receptors",Adrenoceptors,"Dopamine receptors"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Cell Cycle","Cellular responses to external stimuli","Biological oxidations","Infectious disease","Signaling by GPCR",Mitotic,"Diseases of metabolism","Cellu
lar responses to stress","Phase I - Functionalization of compounds","Leishmania infection","GPCR ligand binding","M Phase","Diseases of carbohydrate metabolism","Cellular response to hypoxia","Cytochr
ome P450 - arranged by substrate type","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase","Glycogen storage diseases","Oxygen-dependent p
roline hydroxylation of Hypoxia-inducible Factor Alpha",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Mitotic Anaphase","Glycogen s
torage disease type II (GAA)","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Dopamine receptors","Nucl
ear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRB2}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{81262-93-3,81262933,"Meptin (TN)",DTXSID801001885,"Procaterol hydrochloride hydrate (JP17)",D05366,A840079,Q27269458,"UNII-8404I5HKFJ component RZKAQAPBCFPJTK-GOPHCVLGSA-N","UNII8404I5HKFJ component 
RZKAQAPBCFPJTKGOPHCVLGSAN",T4548,"Procaterol hydrochloride"}

> <pdid>
PD009529

> <targets>
{"¦Â2-adrenergic receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{23724982}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 N   0  0
   -3.8934    5.2570    0.0000 C   0  0
   -5.1924    6.0070    0.0000 C   0  0
   -6.4915    5.2571    0.0000 N   0  0
   -6.4915    3.7571    0.0000 C   0  0
   -5.1925    3.0070    0.0000 C   0  0
   -7.7912    6.0075    0.0000 C   0  0
   -9.0891    5.2555    0.0000 C   0  0
  -10.3893    6.0034    0.0000 C   0  0
  -10.3917    7.5034    0.0000 C   0  0
   -9.0938    8.2555    0.0000 C   0  0
   -9.0962    9.7555    0.0000 Cl  0  0
   -7.7936    7.5075    0.0000 C   0  0
   -6.4958    8.2596    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  1
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 19  1  0
 25 26  1  0
 10 27  1  0
 27 28  1  0
 28  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12740

> <plate>
PLATE 023

> <well>
C10

> <supplier_cmpd_name>
Cariprazine

> <ctcr_id>
11302

> <supplier_cmpd_id>
T4577

> <smiles>
CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1

> <pd_targets>
{DRD3,HTR2A,DRD2,ADRA1A,ADRA1B,ADRA1D,DRD4,KCNH2,HTR7,HTR1A,DRD5,HTR2B,HRH1,VDR}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Family A G protein-coupled receptor","Voltage-gated ion channel","Small molecule receptor (family A GPCR)","Potassium channels","Monoamine receptor","Voltage-gated 
potassium channel","Dopamine receptor","Serotonin receptor","Adrenergic receptor","Histamine receptor","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone
 receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group I member 1"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Dopamine receptors","5-Hydroxytryptamine receptors","Potassium channels","Histamine receptors","Voltage-gated pota
ssium channels","Nuclear hormone receptors","1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction",Disease,"Signaling by GPCR","Cardiac conduction","Infectious disease","GPCR ligand binding","Phase 3 - rapid repolarisation","Leishmania infection","Class A
/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Dopamine receptors","Ser
otonin receptors","ADORA2B mediated anti-inflammatory cytokines production","Histamine receptors","Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOyl
ate target proteins","SUMOylation of intracellular receptors"}

> <broad_targets>
{DRD2,DRD3}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{Cariprazine,839712-12-8,839712128,RGH-188,RGH188,"RGH 188",Cariprazine(RGH188),UNII-F6RJL8B278,UNIIF6RJL8B278,MP-214,MP214,F6RJL8B278,CHEMBL3085826,"Cariprazine (USAN:INN)",Reagila,cis-Cariprazine,ci
sCariprazine,trans-Cariprazine,transCariprazine,"MP 214","RGH-188; Cariprazine","RGH188; Cariprazine","Cariprazine (USAN/INN)",Caripraz,T4577}

> <pdid>
PD009328

> <targets>
{D3,D2,5-HT1A}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{11154555}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8978   -0.7554    0.0000 C   0  0
   -5.1965   -1.5076    0.0000 N   0  0
   -5.3353   -2.9884    0.0000 C   0  0
   -6.8027   -3.2993    0.0000 C   0  0
   -7.5519   -1.9998    0.0000 C   0  0
   -6.5475   -0.8857    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -0.0038    5.9973    0.0000 C   0  0
    1.2952    5.2456    0.0000 C   0  0
    2.5962    5.9938    0.0000 C   0  0
    2.5982    7.4938    0.0000 O   0  0
    3.8944    5.2424    0.0000 O   0  0
   -1.3042    3.7491    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 20 26  2  0
 26 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12741

> <plate>
PLATE 023

> <well>
C11

> <supplier_cmpd_name>
Acrivastine

> <ctcr_id>
11303

> <supplier_cmpd_id>
T4551

> <smiles>
Cc1ccc(cc1)C(=C/CN1CCCC1)\c1cccc(\C=C\C(O)=O)n1

> <pd_targets>
{HRH1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Histamine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Histamine receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Histamine receptors"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{ACRIVASTINE,87848-99-5,87848995,Semprex,Acrivastin,Acrivastinum,Acrivastina,"BW 825C",BW-825C,BW825C,"BW A825C",UNII-A20F9XAI7W,UNIIA20F9XAI7W,CHEBI:83168,A20F9XAI7W,"(E)-6-((E)-3-(1-Pyrrolidinyl)-1-
p-tolylpropenyl)-2-pyridineacrylic acid","(E)6((E)3(1Pyrrolidinyl)1ptolylpropenyl)2pyridineacrylic acid",NCGC00182053-02,NCGC0018205302,"Acrivastinum (Lat",T4551,Acrivastine}

> <pdid>
PD013982

> <targets>
{"H1 receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{5284514}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    5.1937   -3.0093    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0  1  0  0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1875    2.6385    0.0000 C   0  0
   -4.6545    2.9516    0.0000 F   0  0
   -2.1832    3.7527    0.0000 F   0  0
   -3.6501    4.0654    0.0000 F   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4886   -5.2610    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    9.0866   -5.2610    0.0000 F   0  0
    7.7875   -7.5110    0.0000 C   0  0
    9.0866   -8.2610    0.0000 F   0  0
    6.4885   -8.2610    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    3.8904   -8.2609    0.0000 F   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  2 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 20  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12742

> <plate>
PLATE 023

> <well>
D2

> <supplier_cmpd_name>
Sitagliptin

> <ctcr_id>
1051

> <supplier_cmpd_id>
T0242

> <smiles>
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F

> <pd_targets>
{DPP4,DPP8,FAP,"DPP IV",DPP7,DPP9,ACE}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Protease,"Serine protease","Metallo protease","Serine protease SC clan","Metallo protease MAE clan","Serine protease S9B subfamily","Serine protease S9A subfamily","Seri
ne protease S28 family","Metallo protease M2 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","SC: Serine (S) Peptidases","MA: Metallo (M) Peptidases","S9: Prolyl oligopeptidase","S28: Lysosomal Pro-Xaa carboxypeptidase","M2: Angiotensin-converting  (ACE a
nd ACE2)"}

> <pathway_reactome>
{"Metabolism of proteins","Immune System","Peptide hormone metabolism","Innate Immune System","Incretin synthesis",secretion,"and inactivation","Neutrophil degranulation","Metabolism of Angiotensinoge
n to Angiotensins",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)"}

> <broad_targets>
{DPP4}

> <broad_moa>
{"dipeptidyl peptidase inhibitor"}

> <synonyms>
{LEZ763,QFP0P1DV7Z,Sitagliptan,Sitagliptin,486460-32-6,486460326,Januvia,MK-0431,MK0431,Xelevia,"Sitagliptin phosphate",UNII-QFP0P1DV7Z,UNIIQFP0P1DV7Z,Tesavel,CHEBI:40237,"Sitagliptin (Prop.INN)","Sit
agliptin (INN:BAN)",sitagliptina,sitagliptine,sitagliptinum,Sitagliptin/,SR-,SR,T0242,1505831,SITAGLIPTIN}

> <pdid>
PD003506

> <targets>
{}

> <classes>
{"DPP4 inhibitor",antidiabetic}

> <pubchem_cids>
{4369359}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    0.1423    1.5763    0.0000 C   0  0
    0.0479    0.0793    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    2.8524   -0.2919    0.0000 O   0  0
    3.4192   -2.8384    0.0000 C   0  0
    4.4371   -3.9401    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 16 15  1  6
 16  6  1  0
 16 10  1  0
  7 17  1  0
 17  3  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20  3  1  0
 20 21  1  1
 20 22  1  0
 22 23  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12743

> <plate>
PLATE 023

> <well>
D3

> <supplier_cmpd_name>
Norgestrel

> <ctcr_id>
619

> <supplier_cmpd_id>
T2597

> <smiles>
CC[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C

> <pd_targets>
{PGR,SRD5A1,ESR1,AR,SHBG,NR3C1,LMNA,KMT2A,MEN1,AMPC,SLC6A4}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Secreted protein","Nuclear receptor",Oxidoreductase,"Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subf
amily 3 group A","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormon
e receptor subfamily 3 group C member 1","Other nuclear protein","Epigenetic regulator",Transporter,Reader,Hydrolase,"Electrochemical transporter",Bromodomain,"SLC superfamily of solute carriers","SLC
06 neurotransmitter transporter family"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors","3A. Estrogen receptors",Transporters,"SLC superfamily of solute carriers","SLC6 neurotransmitter trans
porter family","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Gene expression (Transcription)","Post-translational protein modification","Metabolism of lipids","RNA Polymerase II Transcription",SUMOylation,"Metabolism of ste
roids","Generic Transcription Pathway","SUMO E3 ligases SUMOylate target proteins","Metabolism of steroid hormones","Transcriptional regulation by RUNX1","Transcriptional regulation by RUNX2","FOXO-me
diated transcription","SUMOylation of intracellular receptors","Androgen biosynthesis","RUNX1 regulates estrogen receptor mediated transcription","RUNX2 regulates bone development","FOXO-mediated tran
scription of oxidative stress","metabolic and neuronal genes","RUNX2 regulates osteoblast differentiation","Cell Cycle","Neuronal System",Mitotic,"Transmission across Chemical Synapses","M Phase","Neu
rotransmitter clearance","Mitotic Metaphase and Anaphase","Serotonin clearance from the synaptic cleft","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Refor
mation"}

> <broad_targets>
{AR,ESR1,PGR,SRD5A1}

> <broad_moa>
{"progesterone receptor agonist"}

> <synonyms>
{norgestrel,6533-00-2,6533002,Spectrum_001019,Spectrum001019,Spectrum-001019,"Spectrum 001019",Spectrum2_001007,Spectrum2001007,Spectrum2-001007,"Spectrum2 001007",Spectrum3_000525,Spectrum3000525,Spe
ctrum3-000525,"Spectrum3 000525",Spectrum4_000454,Spectrum4000454,Spectrum4-000454,"Spectrum4 000454",Spectrum5_001236,Spectrum5001236,Spectrum5-001236,"Spectrum5 001236",BSPBio_002109,BSPBio002109,BS
PBio-002109,"BSPBio 002109",KBioGR_000868,KBioGR000868,KBioGR-000868,"KBioGR 000868",KBioSS_001499,KBioSS001499,KBioSS-001499,"KBioSS 001499",DivK1c_000608,DivK1c000608,DivK1c-000608,"DivK1c 000608",S
PECTRUM1500441,SPBio_001133,SPBio001133,SPBio-001133,"SPBio 001133",CHEMBL4571597,SCHEMBL14360765,CHEBI:91741,HMS501O10,KB,T1263,T2597,1500441,Levonorgestrel,Norgestrel,NORGESTREL}

> <pdid>
PD001660

> <targets>
{Reactive Oxygen Species}

> <classes>
{progestogen,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{5702096}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 35  0  0  1  0            999 V2000
   -4.7175   -4.3834    0.0000 C   0  0
   -3.6663   -3.3134    0.0000 C   0  0
   -2.2130   -3.6880    0.0000 C   0  0
   -1.8114   -5.1333    0.0000 O   0  0
   -1.1612   -2.6174    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
    1.7758   -3.1329    0.0000 C   0  0  1  0  0  0
    2.2703   -4.0021    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.7499   -4.3804    0.0000 C   0  0
    1.7256   -4.5995    0.0000 O   0  0
   -0.2668   -5.4844    0.0000 C   0  0
    0.1798   -6.9164    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  6
  7  9  1  0
 10  9  1  6
 10 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  3
 19 20  1  0
 20 14  1  0
 20 21  1  6
 20 22  1  0
 22 11  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  6
 24 26  1  0
 26 27  1  0
 27  6  1  0
 27 10  1  0
 27 28  1  6
  6 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12744

> <plate>
PLATE 023

> <well>
D4

> <supplier_cmpd_name>
Clobetasol propionate

> <ctcr_id>
6451

> <supplier_cmpd_id>
T1561

> <smiles>
CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl

> <pd_targets>
{MAPT,NPSR1,RORC,CYP3A5,AMPC,AR,NR3C1,PGR,ABCB11,LMNA,CYP3A4,ANXA1,NR3C2}

> <pathway_gtopdb>
{"Other cytosolic protein","Membrane receptor","Transcription factor",Enzyme,Transporter,"Other nuclear protein","Ion channel","Family A G protein-coupled receptor","Nuclear receptor","Cytochrome P450
",Hydrolase,"Primary active transporter",Protease,"Other ion channel","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Nuclear hormone receptor sub
family 3","ATP-binding cassette","Cysteine protease",Annexin,"Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Nuclear hormone recept
or subfamily 3 group C","ABCB subfamily","Cysteine protease CA clan","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A5","Nuclear hormone receptor sub
family 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 3 group C member 3","Cysteine protease C1A family","Cytochrome P450 3A4","Nuclear
 hormone receptor subfamily 3 group C member 2"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Nuclear hormone receptors","Cytochrome P450","ATP-binding cassette transporter family","Neuropeptide S receptor","1F. Retinoic acid-relat
ed orphans","CYP3 family","Steroid hormone receptors","ABCB subfamily","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Neuronal System",Disease,"Gene expression (Transcription)",Metabolism,"Cell Cycle","Signal Transduction","Metabolism of proteins","Transmission across Chemical Synapses","Infectious disease","RNA Po
lymerase II Transcription","Biological oxidations","Metabolism of lipids",Mitotic,"Signaling by GPCR","Post-translational protein modification","Neurotransmitter receptors and postsynaptic signal tran
smission","Leishmania infection","Generic Transcription Pathway","Phase I - Functionalization of compounds","Metabolism of steroids","M Phase","Biosynthesis of specialized proresolving mediators (SPMs
)","GPCR ligand binding",SUMOylation,"Activation of NMDA receptors and postsynaptic events","Leishmania parasite growth and survival","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged 
by substrate type","Transcriptional regulation by RUNX2","FOXO-mediated transcription","Bile acid and bile salt metabolism","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Class A
/1 (Rhodopsin-like receptors)","SUMO E3 ligases SUMOylate target proteins","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania parasite infection","RUNX3 Regulates 
Immune Response and Cell Migration",Xenobiotics,"RUNX2 regulates bone development","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Synthesis of bile acids and bile sa
lts","Mitotic Anaphase","Biosynthesis of maresins","Peptide ligand-binding receptors","SUMOylation of intracellular receptors","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflamma
tory cytokines production","RUNX2 regulates osteoblast differentiation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Biosynthesis of mares
in-like SPMs","Formyl peptide receptors bind formyl peptides and many other ligands","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{NR3C1,PLA2G1B}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{RESTW78,"CLOBETASOL PROPIONATE",25122-46-7,25122467,"Clobetasol 17-propionate","Clobetasol 17propionate",Clobex,Dermovate,Temovate,"Clobestasol propionate","clobetasol 17-propanoate","clobetasol 17pr
opanoate","GR 2/925","CCI 4725",MLS000028708,Embeline,UNII-779619577M,UNII779619577M,"Embeline E",SMR000058745,Clobesol,CHEBI:314,SAM002564250,Prestw-781,CPD000058745,"Clobetasol propionate"}

> <pdid>
PD000810

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{32798}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  1  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3027    3.7529    0.0000 C   0  0
    0.0506    3.1362    0.0000 N   0  0
    1.0508    4.2541    0.0000 N   0  0
    0.2966    5.5507    0.0000 N   0  0
   -1.1696    5.2342    0.0000 N   0  0
    1.2941   -3.7520    0.0000 C   0  0  1  0  0  0
   -0.0052   -3.0008    0.0000 C   0  0
   -0.0052   -2.0008    0.0000 C   0  0
   -1.3045   -3.7503    0.0000 C   0  0
    1.2939   -5.2529    0.0000 C   0  0
   -0.0054   -6.0024    0.0000 O   0  0
    2.5924   -6.0038    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 21  2  0
 26  7  1  6
 26 27  1  0
 27 28  1  0
 27 29  1  0
 26 30  1  0
 30 31  1  0
 30 32  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12745

> <plate>
PLATE 023

> <well>
D5

> <supplier_cmpd_name>
Valsartan

> <ctcr_id>
6139

> <supplier_cmpd_id>
T6716

> <smiles>
CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)[C@@H](C(C)C)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{valsartan,137862-53-4,137862534,Diovan,Tareg,"CGP 48933",Provas,CGP-48933,CGP48933,Exforge,UNII-80M03YXJ7I,UNII80M03YXJ7I,MFCD00865840,N-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine,N(p(o1
HTetrazol5ylphenyl)benzyl)NvalerylLvaline,CHEMBL1069,80M03YXJ7I,CHEBI:9927,137863-60-6,137863606,Kalpress,Miten,Nisis,Vals,(S)-N-valeryl-N,(S)NvalerylN,SAM001246581,1505209,CPD000466318,VALSARTAN}

> <pdid>
PD013554

> <targets>
{}

> <classes>
{antihypertensive,"Angiotensin II inhibitor"}

> <pubchem_cids>
{60846}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 38  0  0  0  0            999 V2000
    7.7927   -4.5047    0.0000 C   0  0
    6.4933   -3.7553    0.0000 C   0  0
    6.4943   -5.2553    0.0000 C   0  0
    7.7921   -3.0049    0.0000 F   0  0
    5.1929   -3.0062    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 S   0  0
   -7.7978    2.9922    0.0000 C   0  0
   -6.5036    5.2446    0.0000 O   0  0
   -7.8008    4.4919    0.0000 O   0  0
    3.8999   -0.7576    0.0000 C   0  0
    5.1965   -1.5117    0.0000 F   0  0
    5.2014   -0.0119    0.0000 F   0  0
    3.9051    0.7424    0.0000 F   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    5.1894   -6.0109    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    4.5507   -8.7432    0.0000 C   0  0
    3.8027   -7.4429    0.0000 C   0  0
    6.4861   -8.2646    0.0000 C   0  0
    7.7838   -9.0169    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 21 23  2  0
 21 24  2  0
  8 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
  6 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 32  1  0
 32 35  1  0
 35 36  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12746

> <plate>
PLATE 023

> <well>
D6

> <supplier_cmpd_name>
Odanacatib

> <ctcr_id>
6901

> <supplier_cmpd_id>
T6035

> <smiles>
CC(C)(F)CC(NC(c1ccc(cc1)c2ccc(cc2)[S](C)(=O)=O)C(F)(F)F)C(=O)NC3(CC3)C#N

> <pd_targets>
{CTSK,CTSS,CTSV,CTSL,CTSZ,CTSB,CTSF}

> <pathway_gtopdb>
{Enzyme,Protease,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","CA: Cysteine (C) Peptidases","C1: Papain"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System",Disease,"Metabolism of proteins","RNA Polymerase II Transcription","Adaptive Immune System","Infectious disease","Post-translational protein modifica
tion","Innate Immune System","Generic Transcription Pathway","Class I MHC mediated antigen processing & presentation","SARS-CoV Infections","Asparagine N-linked glycosylation","Toll-like Receptor Casc
ades","MHC class II antigen presentation","Transcriptional regulation by RUNX1","Antigen processing-Cross presentation","SARS-CoV-1 Infection","Transport to the Golgi and subsequent modification","Tra
fficking and processing of endosomal TLR","RUNX1 regulates transcription of genes involved in differentiation of keratinocytes","Endosomal/Vacuolar pathway","Attachment and Entry","ER to Golgi Anterog
rade Transport","Cargo concentration in the ER"}

> <broad_targets>
{CTSK}

> <broad_moa>
{"cathepsin inhibitor"}

> <synonyms>
{"DANACATIB (MK0822",SCHEMBL18540595,HMS3654O04,HMS3747O13,NCGC00387856-01,NCGC0038785601,AK322092,DB-072775,DB072775,FT-0771899,FT0771899,T6035,S1115,Odanacatib,"Odanacatib (MK-0822)"}

> <pdid>
PD011129

> <targets>
{"Cathepsin K"}

> <classes>
{Others}

> <pubchem_cids>
{57459022}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -3.9492    0.8772    0.0000 S   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -6.4462    1.8312    0.0000 O   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -2.7390    2.9810    0.0000 C   0  0  1  0  0  0
   -1.6199    3.9798    0.0000 C   0  0
   -4.8154    4.6596    0.0000 C   0  0
   -6.3072    4.8166    0.0000 O   0  0
   -3.9334    5.8739    0.0000 N   0  0
   -4.5432    7.2453    0.0000 C   0  0
   -3.6635    8.4602    0.0000 C   0  0
   -4.2757    9.8296    0.0000 C   0  0
   -5.7677    9.9841    0.0000 C   0  0
   -6.6475    8.7692    0.0000 C   0  0
   -6.0353    7.3998    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  8  5  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  1  1
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12747

> <plate>
PLATE 023

> <well>
D7

> <supplier_cmpd_name>
Hexythiazox

> <ctcr_id>
11305

> <supplier_cmpd_id>
T2180

> <smiles>
Clc1ccc(cc1)[C@@H]2SC(=O)N([C@H]2C)C(=O)NC3CCCCC3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Hexythiazox,Savey,78587-05-0,78587050,"(S,S)-hexythiazox","(S,S)hexythiazox",Cesar,CHEBI:39328,Acarflor,Acariflor,Calibre,Matacar,Nissorun,Ordoval,Trevi,"Zeldox (acaricide)","Hexythiazox (BSI:ISO)","
NA 73","DPX Y5893-9","DPX Y58939","HSDB 6671",DSSTox_CID_4299,DSSToxCID4299,DSSTox-CID-4299,"DSSTox CID 4299",DSSTox_RID_77359,DSSToxRID77359,DSSTox-RID-77359,"DSSTox RID 77359",DSSTox,T2180}

> <pdid>
PD085523

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{13218777}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2925   -3.7494    0.0000 C   0  0
   -0.0041   -2.9953    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6039    2.9994    0.0000 C   0  0
   -3.9032    3.7490    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9111    8.2477    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5800    0.0304    0.0000 C   0  0
   -1.2638   -2.2496    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 11 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12748

> <plate>
PLATE 023

> <well>
D8

> <supplier_cmpd_name>
Hexetidine

> <ctcr_id>
5519

> <supplier_cmpd_id>
T0328

> <smiles>
CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"local anesthetic"}

> <synonyms>
{RESTW55,hexetidine,141-94-6,141946,Oraldene,Hexoral,Glypesin,Sterisil,Hextril,Elsix,"Collu hextril",Sterilate,Triocil,Triscol,"Duranil Aerosol",Hexetidinum,Steri/Sol,"5-Amino-1,3-bis(2-ethylhexyl)hex
ahydro-5-methylpyrimidine","5Amino1,3bis(2ethylhexyl)hexahydro5methylpyrimidine",NSC-17764,NSC17764,1,3-bis(2-ethylhexyl)-,3bis(2ethylhexyl),T0328,1500633,Prestw-551,Hexetidine,HEXETIDINE}

> <pdid>
PD001709

> <targets>
{Bacterial,Fungal}

> <classes>
{antifungal,Anti-infection}

> <pubchem_cids>
{3607}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 38  0  0  1  0            999 V2000
    9.6747   -5.4609    0.0000 N   0  0
    8.2276   -5.0658    0.0000 C   0  0
    7.1607   -6.1213    0.0000 C   0  0
    7.5441   -7.5715    0.0000 C   0  0
    6.4800   -8.6286    0.0000 C   0  0
    5.0324   -8.2356    0.0000 C   0  0
    4.6489   -6.7854    0.0000 C   0  0
    5.7131   -5.7282    0.0000 C   0  0
    5.3265   -4.2780    0.0000 C   0  0
    3.8775   -3.8868    0.0000 C   0  0
    2.8152   -4.9458    0.0000 O   0  0
    3.4909   -2.4366    0.0000 N   0  0
    2.0479   -2.0470    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 S   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.2447    3.1359    0.0000 N   0  0
   -6.2484    4.2507    0.0000 N   0  0
   -5.4984    5.5497    0.0000 N   0  0
   -4.0312    5.2378    0.0000 N   0  0
   -2.9123    6.2341    0.0000 C   0  0
   -3.2151    7.7040    0.0000 C   0  0
   -4.6389    8.1760    0.0000 O   0  0
   -2.0947    8.7014    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  6
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 14  1  0
 19 20  1  0
 20 13  1  0
 20 21  2  0
 18 22  1  0
 22 23  1  0
 22 24  2  0
 17 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 27  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12749

> <plate>
PLATE 023

> <well>
D9

> <supplier_cmpd_name>
Ceforanide

> <ctcr_id>
671

> <supplier_cmpd_id>
T5022

> <smiles>
NCc1ccccc1CC(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(O)=O)CSc4nnnn4CC(O)=O

> <pd_targets>
{DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA,PBPA}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease SE clan","Serine protease S11 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"penicillin binding protein inhibitor"}

> <synonyms>
{CEFORANIDE,60925-61-3,60925613,Precef,Ceforanido,Ceforanidum,"Ceforanidum (INN-Latin)","Ceforanidum (INNLatin)","Ceforanido (INN-Spanish)","Ceforanido (INNSpanish)",BL-S786,BLS786,Radacef,UNII-8M1YF8
951V,UNII8M1YF8951V,CHEBI:3495,8M1YF8951V,C20H21N7O6S2,"BL-S 786","BLS 786","Precef (TN)","Ceforanide (USP/INN)",SR-01000872614,SR01000872614,Ceforani,T5022,Prestw-470,Ceforanide}

> <pdid>
PD001124

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{43507}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    8.9970   -4.5059    0.0000 Cl  0  0
    6.4897   -5.2632    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8982   -0.7550    0.0000 C   0  0
    5.1971   -1.5054    0.0000 C   0  0
    6.4964   -0.7559    0.0000 C   0  0
    6.4970    0.7441    0.0000 C   0  0
    5.1982    1.4946    0.0000 C   0  0
    3.8989    0.7451    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  7 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  3 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12750

> <plate>
PLATE 023

> <well>
D10

> <supplier_cmpd_name>
Fendiline hydrochloride

> <ctcr_id>
11306

> <supplier_cmpd_id>
T0327

> <smiles>
Cl.CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1

> <pd_targets>
{CALM,LUXR,GPR55,FFP,ALDH1A1,NPSR1,RORC,ALOX12,KMT2A,MEN1,AMPC,ALOX15,HTT,CYP3A4,HTR2B,CASR,CACNA1C,CYP2C19,LMNA,CYP2D6,CYP1A2}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor","Membrane receptor",Enzyme,"Epigenetic regulator","Ion channel","Family A G protein-coupled receptor",Transferase,Oxidoreductase,"Nuclear receptor",Reade
r,Hydrolase,"Cytochrome P450","Family C G protein-coupled receptor","Voltage-gated ion channel","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Nuclear hormone receptor s
ubfamily 1",Bromodomain,"Cytochrome P450 family 3","Ion receptor (family C GPCR)","Voltage-gated calcium channel","Lipid-like ligand receptor (family A GPCR)","Short peptide receptor (family A GPCR)",
"Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Monoamine receptor","Calcium sensing receptor","Lysophosphatidylinositol receptor","Neuropeptide receptor","Nuclear hormone 
receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Serotonin receptor","Other nuclear protein","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 2C","Cytochrome 
P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 2C19","Cytochrome P450 2D6","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","Nuclear hormone receptors","Eicosanoid turnover","Cytochrome P450","Voltage-gated ion channels","Orphan and other 7TM receptors","Neuro
peptide S receptor","1F. Retinoic acid-related orphans",Lipoxygenases,"CYP3 family","5-Hydroxytryptamine receptors","Calcium-sensing receptor","Voltage-gated calcium channels","Class A Orphans","CYP2 
family: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Gene expression (Transcription)","Developmental Biology","Signaling by GPCR","Biological oxidations","Infectious disease","RNA Polymerase II Transcription","
Metabolism of lipids","Nervous system development","GPCR downstream signalling","Phase I - Functionalization of compounds","Leishmania infection","Generic Transcription Pathway","Biosynthesis of speci
alized proresolving mediators (SPMs)","GPCR ligand binding","Axon guidance","G alpha (i) signalling events","Ethanol oxidation","Leishmania parasite growth and survival","Transcriptional regulation by
 RUNX3","Biosynthesis of DPA-derived SPMs","Transcriptional Regulation by MECP2","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","NCAM signaling for neurite out-growth","Anti
-inflammatory response favouring Leishmania parasite infection","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Regulation of MECP2 expression and activity","Biosyn
thesis of maresins","Amine ligand-binding receptors","NCAM1 interactions","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of DPAn-3-derived maresins","Biosynthesis of DPAn-3-de
rived protectins and resolvins","Biosynthesis of maresin-like SPMs","Serotonin receptors","Cell Cycle",Mitotic,"M Phase","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase"
,Xenobiotics,"Mitotic Anaphase","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformatio
n"}

> <broad_targets>
{HTR2B}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"Fendiline hydrochloride",13636-18-5,13636185,"Fendiline HCl","Fendiline (hydrochloride)","3,3-diphenyl-N-(1-phenylethyl)propan-1-amine hydrochloride","3,3diphenylN(1phenylethyl)propan1amine hydrochl
oride",MLS000069570,NCGC00094891-01,NCGC0009489101,SMR000058827,DSSTox_CID_25860,DSSToxCID25860,DSSTox-CID-25860,"DSSTox CID 25860",DSSTox_RID_81180,DSSToxRID81180,DSSTox-RID-81180,"DSSTox RID 81180",
DSSTox_GSID,DSSToxGSID,DSSTox-GSID,"DSSTox GSID",T0327}

> <pdid>
PD009076

> <targets>
{Calcium Channel}

> <classes>
{Membrane transporter/Ion channel,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{5702162}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 13  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.3408   -4.2142    0.0000 C   0  0
   -1.8408   -4.2089    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  9  1  0
  7 12  2  0
 12  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12751

> <plate>
PLATE 023

> <well>
D11

> <supplier_cmpd_name>
Cyromazine

> <ctcr_id>
5096

> <supplier_cmpd_id>
T0845

> <smiles>
Nc1nc(N)nc(NC2CC2)n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{CYROMAZINE,66215-27-8,66215278,Larvadex,Vetrazin,Cyromazin,Trigard,Cyclopropylmelamine,Cypromazine,Vetrazine,Neporex,Citation,Azimethiphos,"1,3,5-Triazine-2,4,6-triamine, N-cyclopropyl-","1,3,5Triazi
ne2,4,6triamine, Ncyclopropyl","N-Cyclopropyl-1,3,5-triazine-2,4,6-triamine","NCyclopropyl1,3,5triazine2,4,6triamine","Cga 72662",2-Cyclo,2Cyclo,T0845,S4167,Cyromazine}

> <pdid>
PD000677

> <targets>
{Others,Endogenous Metabolite}

> <classes>
{Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{47866}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 57 59  0  0  1  0            999 V2000
    7.8184    8.9738    0.0000 C   0  0
    6.5225    9.7293    0.0000 C   0  0
    5.2191    8.9852    0.0000 C   0  0
    5.2123    7.4852    0.0000 O   0  0
    3.9226    9.7411    0.0000 O   0  0
    2.6192    8.9970    0.0000 C   0  0  1  0  0  0
    2.6150    7.4970    0.0000 C   0  0  2  0  0  0
    3.9119    6.7433    0.0000 C   0  0
    1.3138    6.7506    0.0000 O   0  0
    0.0168    7.5042    0.0000 C   0  0  2  0  0  0
    0.0211    9.0043    0.0000 C   0  0
    1.3222    9.7506    0.0000 C   0  0  2  0  0  0
    0.0079   10.4734    0.0000 C   0  0
    2.6405   10.4662    0.0000 O   0  0
   -1.2835    6.7548    0.0000 O   0  0
   -1.2856    5.2540    0.0000 C   0  0  2  0  0  0
    0.0108    4.4995    0.0000 C   0  0  1  0  0  0
    1.3124    5.2450    0.0000 C   0  0
    0.0056    2.9995    0.0000 O   0  0
   -1.2961    2.2539    0.0000 C   0  0  1  0  0  0
   -1.2982    0.7531    0.0000 O   0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -1.3013   -2.2478    0.0000 O   0  0
   -2.5993   -1.4959    0.0000 C   0  0
    1.3000   -2.2500    0.0000 C   0  0  2  0  0  0
    1.2969   -3.7508    0.0000 O   0  0
   -0.0039   -4.4994    0.0000 C   0  0
   -1.3016   -3.7471    0.0000 O   0  0
   -0.0070   -6.0002    0.0000 C   0  0
   -1.3071   -6.7484    0.0000 C   0  0
    2.6000   -1.5000    0.0000 C   0  0
    3.9000   -2.2500    0.0000 C   0  0
    3.9000   -3.7500    0.0000 O   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000   -2.2500    0.0000 C   0  0  2  0  0  0
    6.5000   -3.7500    0.0000 C   0  0
    7.8000   -1.5000    0.0000 C   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    5.2000    3.0000    0.0000 C   0  0
    3.9000    2.2500    0.0000 C   0  0  2  0  0  0
    3.9000    0.7500    0.0000 O   0  0
    2.6000    3.0000    0.0000 C   0  0  2  0  0  0
    2.6000    4.5000    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0  2  0  0  0
    2.2671   -0.3977    0.0000 C   0  0
    3.7447   -0.1350    0.0000 C   0  0
    4.7113   -1.2821    0.0000 O   0  0
   -2.5925    3.0085    0.0000 C   0  0  2  0  0  0
   -3.8941    2.2631    0.0000 O   0  0
   -2.5873    4.5085    0.0000 C   0  0  1  0  0  0
   -3.8860    5.2607    0.0000 N   0  0
   -5.1865    4.5134    0.0000 C   0  0
   -3.8834    6.7607    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  6  1  0
 12 13  1  6
 12 14  1  0
 10 15  1  1
 16 15  1  6
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 20 21  1  1
 22 21  1  1
 22 23  1  0
 23 24  1  6
 24 25  1  0
 23 26  1  0
 26 27  1  1
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 26 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  0
 39 40  2  3
 40 41  1  0
 41 42  2  3
 42 43  1  0
 43 44  1  6
 43 45  1  0
 45 46  1  1
 45 47  1  0
 47 48  1  0
 48 22  1  0
 48 49  1  6
 49 50  1  0
 50 51  2  0
 20 52  1  0
 52 53  1  6
 52 54  1  0
 54 16  1  0
 54 55  1  1
 55 56  1  0
 55 57  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12752

> <plate>
PLATE 023

> <well>
E2

> <supplier_cmpd_name>
Midecamycin

> <ctcr_id>
11307

> <supplier_cmpd_id>
T5037

> <smiles>
CCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)O)O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]2[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@@H]2CC=O)[C@H](O)[C@H]3N(C)C

> <pd_targets>
{TGR}

> <pathway_gtopdb>
{Enzyme}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{35457-80-8,35457808,ZINC299808959,T5037,Midecamycin}

> <pdid>
PD014477

> <targets>
{Antibacterial}

> <classes>
{Microbiology&virology}

> <pubchem_cids>
{443948}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 24  0  0  1  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0  1  0  0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    2.2500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    3.8900   -1.4008    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15  5  1  0
 15  9  1  0
 15 16  1  1
  6 17  1  0
 17  2  1  0
 17 18  1  1
 18 19  1  0
 19 20  1  0
 20  2  1  0
 20 21  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12753

> <plate>
PLATE 023

> <well>
E3

> <supplier_cmpd_name>
Dehydroepiandrosterone

> <ctcr_id>
5622

> <supplier_cmpd_id>
T0856L

> <smiles>
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O

> <pd_targets>
{G6PD,SHBG,KMT2A,MEN1,PMP22,SERPINA6,LMNA,CYP3A4,GPBAR1,ESR2,ESR1,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,GRIN1,GRIN2A,GRIN2B,GRIN2C
,GRIN2D,GRIN3A,GRIN3B,AR,PPARA,SIGMAR1,NR1I2,NR1I3}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Epigenetic regulator","Unclassified protein","Other nuclear protein","Membrane receptor","Transcription factor","Ion channel",Oxidoreductase,Reader,"Cytochrome P450","Famil
y A G protein-coupled receptor","Nuclear receptor","Ligand-gated ion channel",Bromodomain,"Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 3","G
ABA-A receptor","Ionotropic glutamate receptor","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3A","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 gr
oup A","NMDA receptor","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 3A4","Steroid-like 
ligand receptor","Nuclear hormone receptor subfamily 3 group A member 2","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormon
e receptor subfamily 1 group C member 1","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone receptor subfamily 1 group I member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Cytochrome P450","G protein-coupled receptors","Nuclear hormone receptors","Sigma receptors","CYP3 family","Bile acid receptor","Steroid hormone receptors",
"1C. Peroxisome proliferator-activated receptors","1I. Vitamin D receptor-like receptors","3A. Estrogen receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Developmental Biology",Metabolism,"Cell Cycle",Disease,"Signal Transduction","Metabolism of proteins","RNA Polymerase II Transcription","Nervous system development"
,"Metabolism of lipids",Mitotic,"Infectious disease","Intracellular signaling by second messengers","Post-translational protein modification","Generic Transcription Pathway","EGR2 and SOX10-mediated i
nitiation of Schwann cell myelination","Metabolism of steroids","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","PIP3 activates AKT signaling","SARS-CoV In
fections",SUMOylation,"Transcriptional Regulation by TP53","Metabolism of steroid hormones","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival
","Negative regulation of the PI3K/AKT network","Transcriptional regulation by RUNX1","Transcriptional regulation by RUNX2","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Potential therape
utics for SARS","SUMO E3 ligases SUMOylate target proteins","Nuclear Receptor transcription pathway","TP53 Regulates Metabolic Genes","Glucocorticoid biosynthesis","Mitotic Anaphase","Biosynthesis of 
maresins","Anti-inflammatory response favouring Leishmania parasite infection",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","RUNX1 regulates estrogen receptor mediated transcription","RUNX2 regula
tes bone development","Activation of gene expression by SREBF (SREBP)","SUMOylation of intracellular receptors","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","ADORA2B mediated
 anti-inflammatory cytokines production","RUNX2 regulates osteoblast differentiation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ESR1,ESR2,G6PD,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,HSD17B1,NR1I2,NR1I3,PPARA,SI
GMAR1,SULT2A1,SULT2B1}

> <broad_moa>
{"protein synthesis stimulant"}

> <synonyms>
{Dehydroepiandrosterone,DHEA,PRASTERONE,53-43-0,53430,Dehydroisoandrosterone,Androstenolone,trans-Dehydroandrosterone,transDehydroandrosterone,Psicosterone,Diandron,Diandrone,3beta-hydroxyandrost-5-en
-17-one,3betahydroxyandrost5en17one,17-Hormoforin,17Hormoforin,Prestara,17-Chetovis,17Chetovis,Andrestenol,5-Dehydro,5Dehydro,T0856L,SAM001246922,CPD000059075}

> <pdid>
PD000630

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5881}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  3
  9  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12754

> <plate>
PLATE 023

> <well>
E4

> <supplier_cmpd_name>
Thioisonicotinamide

> <ctcr_id>
11308

> <supplier_cmpd_id>
T1365

> <smiles>
NC(=S)C1=CC=NC=C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Thioisonicotinamide,2196-13-6,2196136,pyridine-4-carbothioamide,pyridine4carbothioamide,4-PYRIDINECARBOTHIOAMIDE,4PYRIDINECARBOTHIOAMIDE,Isothionicotinamide,4-Pyridylthiocarboxamide,4Pyridylthiocarbo
xamide,4-Pyridylthioamide,4Pyridylthioamide,Thio-4-pyridinecarboxamide,Thio4pyridinecarboxamide,"Isonicotinic acid thioamide","4-Pyridinecarboxamide, thio-","4Pyridinecarboxamide, thio",I,T1365}

> <pdid>
PD021257

> <targets>
{"Tubercle bacillus"}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{2723788}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 49 48  0  0  1  0            999 V2000
    1.9393   -5.1194    0.0000 O   0  0
    2.6950   -4.4644    0.0000 C   0  0  1  0  0  0
    4.1618   -4.7781    0.0000 C   0  0  2  0  0  0
    4.7702   -6.1492    0.0000 O   0  0
    4.9134   -3.4800    0.0000 C   0  0  2  0  0  0
    3.9111   -2.3640    0.0000 O   0  0
    2.5951   -3.0043    0.0000 C   0  0  2  0  0  0
    1.2945   -3.7533    0.0000 C   0  0
    1.2928   -4.7533    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8990   -0.7455    0.0000 O   0  0
   -5.2003   -1.4932    0.0000 C   0  0  2  0  0  0
   -6.4994   -0.7433    0.0000 C   0  0  2  0  0  0
   -6.4994    0.7567    0.0000 O   0  0
   -7.7985   -1.4932    0.0000 C   0  0  1  0  0  0
   -9.0975   -0.7432    0.0000 O   0  0
   -7.7985   -2.9932    0.0000 C   0  0  2  0  0  0
   -6.4995   -3.7433    0.0000 C   0  0  2  0  0  0
   -5.2004   -2.9933    0.0000 O   0  0
   -6.5026   -5.2441    0.0000 C   0  0
   -7.8034   -5.9926    0.0000 O   0  0
   -7.8065   -7.4935    0.0000 C   0  0  1  0  0  0
   -6.5075   -8.2436    0.0000 O   0  0
   -6.5076   -9.7436    0.0000 C   0  0  2  0  0  0
   -5.2063  -10.4914    0.0000 C   0  0
   -3.9083   -9.7396    0.0000 O   0  0
   -7.8067  -10.4936    0.0000 C   0  0  2  0  0  0
   -7.8067  -11.9936    0.0000 O   0  0
   -9.1057   -9.7435    0.0000 C   0  0  2  0  0  0
  -10.4047  -10.4934    0.0000 O   0  0
   -9.1056   -8.2435    0.0000 C   0  0  1  0  0  0
  -10.4046   -7.4935    0.0000 O   0  0
   -9.0975   -3.7432    0.0000 O   0  0
   -2.5981    1.5000    0.0000 O   0  0
    6.4040   -3.3284    0.0000 C   0  0
    7.2824   -4.5443    0.0000 O   0  0
   17.2829   -4.4968    0.0000 O   0  0
   14.7829   -4.4968    0.0000 O   0  0
   12.2829   -4.4968    0.0000 O   0  0
    9.7829   -4.4968    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  1
  8  9  1  0
  7 10  1  0
 11 10  1  1
 11 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 11  1  0
 17 19  1  6
 19 20  1  0
 21 20  1  1
 21 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  6
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 21  1  0
 27 29  1  6
 29 30  1  0
 31 30  1  1
 31 32  1  0
 32 33  1  0
 33 34  1  6
 34 35  1  0
 33 36  1  0
 36 37  1  6
 36 38  1  0
 38 39  1  6
 38 40  1  0
 40 31  1  0
 40 41  1  1
 26 42  1  6
 16 43  1  1
  5 44  1  6
 44 45  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12755

> <plate>
PLATE 023

> <well>
E5

> <supplier_cmpd_name>
D-Stachyose tetrahydrate

> <ctcr_id>
11309

> <supplier_cmpd_id>
T2713

> <smiles>
O[C@H]1[C@H](O)[C@H](O[C@@]1(CO)O[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@H](O1)CO[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@H](O1)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O)O)CO.O.O.O.O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"STACHYOSE TETRAHYDRAT","Stachyose tetrahydrate","stachyose hydrate","Stachyose hydrate(1:x)","Stachyose (tetrahydrate)",10094-58-3,10094583,54261-98-2,54261982,STACHYOSETETRAHYDRATE,s5102,AKOS025311
600,CCG-270424,CCG270424,HY-113529,HY113529,CS-0062651,CS0062651,W-106081,W106081,W-200640,W200640,T3S0309,T2713,Raffinose,"D-Stachyose tetrahydrate"}

> <pdid>
PD039539

> <targets>
{Others,Apoptosis}

> <classes>
{Others,Apoptosis}

> <pubchem_cids>
{2724335}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 29  0  0  1  0            999 V2000
    5.9856   -0.5337    0.0000 C   0  0
    4.9181    0.5201    0.0000 C   0  0
    3.4746    0.1241    0.0000 C   0  0
    2.8334   -1.0961    0.0000 C   0  0
    1.7373   -0.5377    0.0000 C   0  0  2  0  0  0
    3.9710    1.7373    0.0000 C   0  0
    2.6473    1.9855    0.0000 N   0  0  1  0  0  0
    1.7993    3.1230    0.0000 C   0  0
    0.3102    3.1023    0.0000 C   0  0
   -0.5584    1.9027    0.0000 C   0  0
    0.0000    0.5584    0.0000 C   0  0
   -1.0961   -0.4757    0.0000 N   0  0
   -2.4818    0.0000    0.0000 C   0  0
   -3.4332   -1.1582    0.0000 C   0  0
   -4.7776   -0.8893    0.0000 C   0  0
   -5.2119    0.4550    0.0000 C   0  0
   -4.2605    1.4891    0.0000 C   0  0
   -2.8955    1.1582    0.0000 C   0  0
    1.0134    0.1448    0.0000 C   0  0  1  0  0  0
    0.4550   -0.9927    0.0000 C   0  0
    2.2750    0.8480    0.0000 C   0  0  1  0  0  0
    2.2131   -0.7532    0.0000 C   0  0
    3.5910   -0.1603    0.0000 O   0  0
    2.0380   -2.2437    0.0000 O   0  0
    3.2400   -3.1410    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  5  4  1  1
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 10  1  0
 18 13  1  0
 11 19  1  0
 19 20  1  0
 20  5  1  0
 19 21  1  0
 21  3  1  6
 21  7  1  0
 19 22  1  1
 22 23  2  0
 22 24  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12756

> <plate>
PLATE 023

> <well>
E6

> <supplier_cmpd_name>
Catharanthine

> <ctcr_id>
4209

> <supplier_cmpd_id>
T2782

> <smiles>
CCC1=C[C@@H]2C[N@]3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC

> <pd_targets>
{KMT2A,MEN1,BCHE,TRPM8,TRPA1,CACNA1C,TRPV1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Ion channel",Reader,Hydrolase,"Voltage-gated ion channel",Bromodomain,"Transient receptor potential channel","Voltage-gated calcium channel"}

> <pathway_chembl>
{Enzymes,"Ion channels","Acetylcholine turnover","Voltage-gated ion channels","Transient Receptor Potential channels","Voltage-gated calcium channels"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Developmental Biology","Metabolism of lipids","Ion channel transport","Nervous system development","Phospholipid metabolism","Stimuli-sensing channels","Axo
n guidance","Glycerophospholipid biosynthesis","TRP channels","NCAM signaling for neurite out-growth","Synthesis of PC","NCAM1 interactions"}

> <broad_targets>
{}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{RESTW18,Catharanthine,2468-21-5,2468215,UNII-WT0YJV846J,UNIIWT0YJV846J,WT0YJV846J,CHEMBL2163793,(+)-Catharanthine,(+)Catharanthine,"Catharanthine Base","EINECS 219-586-6","EINECS 2195866",CHEBI:3469,
"Catharanthine, >=95 (HPLC)",HMS2095F15,HMS3652A13,HMS3712F15,HMS3885K13,BDBM50396009,MFCD01753356,s3202,ZINC5,T3023,T2782,Prestw-187,"Catharanthine sulfate"}

> <pdid>
PD012035

> <targets>
{Calcium Channel}

> <classes>
{Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{5458190}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Br  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12757

> <plate>
PLATE 023

> <well>
E7

> <supplier_cmpd_name>
Broxyquinoline

> <ctcr_id>
3676

> <supplier_cmpd_id>
T0701

> <smiles>
Oc1c(Br)cc(Br)c2cccnc12

> <pd_targets>
{CYP1A2,LMNA,HIF1A,RORC,ALOX15,COMT,HDAC8,HDAC7,MAPT,KMT2A,MEN1,HPGD,TP53,OPRK1,BOTA,HDAC2,HDAC5,CA15,KDM4E,HTT,HSP90AA1,APE1,HDAC9,ALDH1A1,CYP3A4,APP,TGR,FFP,ALOX12,MAPK1,HDAC4,ALOX5,ALOX15B,ALD,SKA,
NR1I2,STAT6,MAPK14,ACE,AMPC,HSD17B10,MAPK3,ERBB2,PAX8,ADORA3,EGFR,LCK,FYN}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Membrane receptor","Cytochrome P450",Protease,"Nuclear receptor",Oxidore
ductase,Transferase,Eraser,Reader,"Family A G protein-coupled receptor",Lyase,Kinase,"Cytochrome P450 family 1","Cysteine protease","Nuclear hormone receptor subfamily 1","Histone deacetylase",Bromodo
main,"Peptide receptor (family A GPCR)","Metallo protease","Lysine demethylase","Cytochrome P450 family 3","Protein Kinase","Cytochrome P450 family 1A","Cysteine protease CA clan","Nuclear hormone rec
eptor subfamily 1 group F","HDAC class I","HDAC class IIa","Short peptide receptor (family A GPCR)","Metallo protease MAE clan","Jumonji domain-containing","Metallo protease MH clan","Cytochrome P450 
family 3A","CMGC protein kinase group","Cytochrome P450 1A1","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","Opioid receptor","Metallo protease M27 family","Met
allo protease M18 family","Cytochrome P450 3A4","CMGC protein kinase MAPK family","CMGC protein kinase ERK1","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group 
I member 2",Hydrolase,"Small molecule receptor (family A GPCR)","TK protein kinase group","Nucleotide-like receptor (family A GPCR)","Metallo protease M2 family","Tyrosine protein kinase EGFR family",
"Adenosine receptor","Tyrosine protein kinase Src family","CMGC protein kinase p38 subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Cytochrome P450","Nuclear hormone receptors","Eicosanoid turnover","Catecholamine turnover","Chromatin modifying enzymes","G protein-coupled receptors","Hea
t shock proteins","Kinases (EC 2.7.x.x)","CYP1 family","1F. Retinoic acid-related orphans",Lipoxygenases,"3.5.1.- Histone deacetylases (HDACs)","Prostaglandin synthases","Opioid receptors","1.14.11.- 
Histone demethylases","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily","1I. Vitamin D receptor-like receptors","Transcrip
tion factors","Peptidases and proteinases","Catalytic receptors","STAT transcription factors","MA: Metallo (M) Peptidases","Receptor kinases","Adenosine receptors","M2: Angiotensin-converting  (ACE an
d ACE2)","TK: Tyrosine kinase","p38 subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Cellular responses to external stimuli","Gene expression (Transcription)","Neuronal System",Disease,"Immune System","Biological oxidations",Mitotic,"Cellular responses to str
ess","RNA Polymerase II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Cell Cycle Che
ckpoints","Infectious disease","Innate Immune System","Phase I - Functionalization of compounds","M Phase","Cellular response to hypoxia","Generic Transcription Pathway","Biosynthesis of specialized p
roresolving mediators (SPMs)","Neurotransmitter clearance","Signaling by NOTCH1 in Cancer","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Uptake and a
ctions of bacterial toxins","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylati
on of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Dopamine clearance from the synaptic cleft","Signaling by NOTCH1 HD+PEST Domain Mutants 
in Cancer","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by MECP2","Neurotoxicity of 
clostridium toxins","Transcriptional Regulation by TP53","G2/M Transition","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX2",Xenobiotics,"Mitotic Anaphase
","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Enzymatic degradation of dopamine by COMT","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Post NMDA re
ceptor activation events","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","MECP2 regulates neuronal receptors and channels","Toxicity of botulinum toxin type A (botA)","Reg
ulation of TP53 Activity","Regulation of MECP2 expression and activity","Centrosome maturation","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","RUNX2 regulates bone developmen
t","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Separation of Sister Chromatids","Ac
tivation of AMPK downstream of NMDARs","Stabilization of p53","Regulation of TP53 Activity through Acetylation","Loss of proteins required for interphase microtubule organization from the centrosome",
"Biosynthesis of maresin-like SPMs","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Biosynthesis of DPAn-3-derived maresins","MAP kinase activation","RUNX2 regulates chondrocy
te maturation","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP 
kinases","ERK/MAPK targets","ERKs are inactivated","Metabolism of proteins","Post-translational protein modification","Fatty acid metabolism",SUMOylation,"Arachidonic acid metabolism","SUMO E3 ligases
 SUMOylate target proteins","Synthesis of 15-eicosatetraenoic acid derivatives","SUMOylation of intracellular receptors","Biosynthesis of DPAn-3-derived 13-series resolvins","Developmental Biology","S
ignal Transduction","Peptide hormone metabolism","Metabolism of amino acids and derivatives","Nervous system development","Signaling by GPCR","Cytosolic sensors of pathogen-associated DNA","Metabolism
 of Angiotensinogen to Angiotensins","Branched-chain amino acid catabolism","Axon guidance","GPCR ligand binding","GPCR downstream signalling","HIV Infection","STING mediated induction of host immune 
responses","Semaphorin interactions","Class A/1 (Rhodopsin-like receptors)","G alpha (q) signalling events","Host Interactions of HIV factors","STAT6-mediated induction of chemokines","Sema4D in semap
horin signaling","Nucleotide-like (purinergic) receptors","Gastrin-CREB signalling pathway via PKC and MAPK","The role of Nef in HIV-1 replication and disease pathogenesis","Sema4D induced cell migrat
ion and growth-cone collapse","Adenosine P1 receptors","EGFR Transactivation by Gastrin","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Nef and signa
l transduction","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{}

> <broad_moa>
{antiseptic}

> <synonyms>
{broxyquinoline,"5,7-Dibromoquinolin-8-ol","5,7Dibromoquinolin8ol",521-74-4,521744,"5,7-Dibromo-8-hydroxyquinoline","5,7Dibromo8hydroxyquinoline","5,7-Dibromo-8-quinolinol","5,7Dibromo8quinolinol",Bro
xyquinolin,Dibromoxin,Dibromoxine,Dibromoxyquinoline,Broxiquinoline,Dibromoquin,Fenilor,Broxykinolin,Dibromoksin,Paramiba,Brod,1500623,BROXYQUINOLINE}

> <pdid>
PD000622

> <targets>
{Parasite}

> <classes>
{antiinfectant,disinfectant,Anti-infection}

> <pubchem_cids>
{2453}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
   -3.2310   -3.4430    0.0000 Cl  0  0
   -3.2310   -1.9430    0.0000 C   0  0  2  0  0  0
   -4.5628   -2.3141    0.0000 C   0  0
   -3.8642   -1.1134    0.0000 C   0  0
   -4.7631    0.0874    0.0000 Cl  0  0
   -2.4451   -0.7641    0.0000 C   0  0  2  0  0  0
   -2.4728   -2.2638    0.0000 Cl  0  0
   -1.2226   -1.1134    0.0000 C   0  0
    0.1591   -0.5419    0.0000 C   0  0
    1.3496   -1.4544    0.0000 Cl  0  0
   -1.8993   -2.3141    0.0000 C   0  0
   -1.3219   -3.6973    0.0000 C   0  0
    0.1657   -3.8898    0.0000 Cl  0  0
   -3.2310    0.3930    0.0000 C   0  0
   -4.6861    0.7575    0.0000 Cl  0  0
   -2.2326    1.5124    0.0000 Cl  0  0
   -5.7497   -3.2312    0.0000 Cl  0  0
  2  1  1  1
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11  2  1  0
 11 12  1  0
 12 13  1  0
  6 14  1  0
 14  2  1  0
 14 15  1  0
 14 16  1  0
  3 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12758

> <plate>
PLATE 023

> <well>
E8

> <supplier_cmpd_name>
Alodan

> <ctcr_id>
11310

> <supplier_cmpd_id>
T1380

> <smiles>
Cl[C@]12C(=C(Cl)[C@](Cl)(C(CCl)C1CCl)C2(Cl)Cl)Cl

> <pd_targets>
{KMT2A,MEN1}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Alodan,UNII-689LUC5Q4D,UNII689LUC5Q4D,Alodane,689LUC5Q4D,2550-75-6,2550756,"Alodan (pesticide)","Hercules 426","NSC 41891","Alodan (VAN)","Chlorbicyclen (ISO)","Caswell No. 477A","1,2,3,4,7,7-Hexachl
oro-5,6-bis(chloromethyl)-2-norbornene","1,2,3,4,7,7Hexachloro5,6bis(chloromethyl)2norbornene","CCRIS 1462",2,3-Bis(chlorometh,3Bis(chlorometh,T1380}

> <pdid>
PD055639

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{92043635}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -4.7631   -0.2500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 C   0  0
   -5.1961   -4.5000    0.0000 C   0  0
   -6.4952   -5.2500    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0
   -7.7942   -7.5000    0.0000 O   0  0
   -9.0933   -5.2500    0.0000 C   0  0
   -9.9593   -5.7500    0.0000 O   0  0
   -9.0933   -3.7500    0.0000 C   0  0
   -9.0565   -2.2505    0.0000 C   0  0
  -10.3567   -4.5216    0.0000 C   0  0
  -11.2465   -4.0652    0.0000 O   0  0
   -7.7942   -3.0000    0.0000 C   0  0
   -7.7942   -1.5000    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -5.1962   -0.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990    2.2508    0.0000 C   0  0
   -2.5983    3.0004    0.0000 O   0  0
   -0.0005    3.0016    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 21 25  1  0
 25 14  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28  8  1  0
 28 13  1  0
 28 29  1  0
 10 30  1  0
 30  5  1  0
 30 31  1  0
 31  2  1  0
 31 32  1  0
  5 33  1  0
 33 34  1  0
 33 35  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12759

> <plate>
PLATE 023

> <well>
E9

> <supplier_cmpd_name>
Asiatic acid

> <ctcr_id>
6690

> <supplier_cmpd_id>
T2827

> <smiles>
CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(O)=O

> <pd_targets>
{PYGM,AKR1B1,AKR1B10}

> <pathway_gtopdb>
{Enzyme,Transferase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"1.-.-.- Oxidoreductases"}

> <pathway_reactome>
{Metabolism,"Metabolism of carbohydrates","Metabolism of lipids","Metabolism of vitamins and cofactors","Glycogen metabolism","Metabolism of steroids","Metabolism of fat-soluble vitamins","Glycogen br
eakdown (glycogenolysis)","Metabolism of steroid hormones","Retinoid metabolism and transport","Pregnenolone biosynthesis"}

> <broad_targets>
{PYGM}

> <broad_moa>
{"apoptosis stimulant"}

> <synonyms>
{464-92-6,464926,"Esculentic acid","2,24-Dihydroxyursolic acid","2,24Dihydroxyursolic acid",NSC-166063,NSC166063,103974-74-9,103974749,143839-02-5,143839025,"2,3,24-Trihydroxy-12-ursen-28-oic acid","2
,3,24Trihydroxy12ursen28oic acid","Esculentic acid (Diplazium)",SCHEMBL136639,89786-83-4,89786834,BBL009967,STK801367,AKOS005613009,AC-6027,AC6027,M,S2266,"Asiatic Acid"}

> <pdid>
PD000579

> <targets>
{"p38 MAPK"}

> <classes>
{MAPK}

> <pubchem_cids>
{296191}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 40  0  0  0  0            999 V2000
   -1.7395   -4.1208    0.0000 C   0  0
   -3.1496   -3.6092    0.0000 C   0  0
   -4.3148   -4.5538    0.0000 C   0  0
   -4.6636   -2.7035    0.0000 O   0  0
   -3.7579   -1.4329    0.0000 C   0  0
   -4.7853   -0.4055    0.0000 C   0  0
   -4.3932    1.0003    0.0000 C   0  0
   -5.4383    2.0763    0.0000 O   0  0
   -2.9739    1.3518    0.0000 O   0  0
   -1.9465    0.3109    0.0000 C   0  0
   -2.3521   -1.0814    0.0000 C   0  0
   -1.0544   -0.2839    0.0000 C   0  0
   -1.1084    1.2166    0.0000 C   0  0
    0.1622    2.0141    0.0000 C   0  0
    1.5005    1.2977    0.0000 C   0  0
    1.4394    2.7965    0.0000 C   0  0
    2.7576    2.1088    0.0000 C   0  0
    4.1094    1.3923    0.0000 O   0  0
    4.1634    0.0000    0.0000 C   0  0
    5.5083   -0.6644    0.0000 O   0  0
    2.8793   -0.9057    0.0000 C   0  0
    1.5951   -1.7032    0.0000 O   0  0
    1.5140   -0.2028    0.0000 C   0  0
    0.2568   -1.0003    0.0000 C   0  0
    1.1416   -1.4664    0.0000 C   0  0
    0.3109   -2.5143    0.0000 C   0  0
    1.6363   -3.2166    0.0000 O   0  0
   -0.9598   -3.3118    0.0000 C   0  0
   -2.2980   -2.5954    0.0000 C   0  0
    2.6934    3.6081    0.0000 C   0  0
    3.8630    4.5264    0.0000 C   0  0
    3.3298    5.9284    0.0000 O   0  0
    1.8317    5.8547    0.0000 C   0  0
    1.4388    4.4070    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11  5  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 15  1  0
 23 21  1  0
 23 24  1  0
 24 12  1  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29  2  1  0
 29 11  1  0
 17 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12760

> <plate>
PLATE 023

> <well>
E10

> <supplier_cmpd_name>
Limonin

> <ctcr_id>
1644

> <supplier_cmpd_id>
T2728

> <smiles>
CC1(C)OC2CC(=O)OCC23C4CCC5(C)C(OC(=O)C6OC56C4(C)C(=O)CC13)c7cocc7

> <pd_targets>
{CYP3A4,ABCB1}

> <pathway_gtopdb>
{Enzyme,Transporter,"Cytochrome P450","Primary active transporter","Cytochrome P450 family 3","ATP-binding cassette","Cytochrome P450 family 3A","ABCB subfamily","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,"Cytochrome P450","ATP-binding cassette transporter family","CYP3 family","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Abacavir transport and metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Abacavir transmembrane transport","Biosynthesis of DHA-derived SPMs"
,"Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{}

> <broad_moa>
{"HIV protease inhibitor"}

> <synonyms>
{MLS002607979,"Evodia fruit",SMR001526737,"Limonoate D-ring-lactone","Limonoate Dringlactone",3-furyl(tetramethyl)(?)trione,3furyl(tetramethyl)(?)trione,NSC36508,Evodine?,Limone?,"Evodia fruit (TN)","
Evodia fruit (JP15)",MLS006012032,CHEMBL2004366,NSC-36508,NSC407309,AKOS000591711,AKOS024304398,MC,T2728,"NSC 36508",Limonin,LIMONIN}

> <pdid>
PD000435

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{235284}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 48 48  0  0  1  0            999 V2000
    7.7794  -12.0195    0.0000 C   0  0
    6.9125  -12.5180    0.0000 O   0  0
    7.7815  -10.5187    0.0000 N   0  0
    6.4833   -9.7656    0.0000 C   0  0  1  0  0  0
    5.1838  -10.5165    0.0000 C   0  0
    5.1833  -12.0173    0.0000 C   0  0
    3.8845  -12.7677    0.0000 O   0  0
    6.0494  -12.5173    0.0000 O   0  0
    6.4855   -8.2648    0.0000 C   0  0
    7.7858   -7.5171    0.0000 O   0  0
    5.1873   -7.5117    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0  1  0  0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7601    0.0000 C   0  0
    7.7880   -6.0101    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    1.2925   -3.7494    0.0000 C   0  0
   -0.0041   -2.9953    0.0000 O   0  0
    1.2873   -5.2494    0.0000 O   0  0
    9.0776  -12.7726    0.0000 C   0  0  2  0  0  0
   10.3802  -12.0271    0.0000 C   0  0
   11.6776  -12.7817    0.0000 C   0  0
   12.9802  -12.0362    0.0000 C   0  0
   14.2776  -12.7907    0.0000 C   0  0
   15.5794  -12.0456    0.0000 N   0  0
    9.0755  -14.2734    0.0000 N   0  0
   10.3737  -15.0265    0.0000 C   0  0
   11.6740  -14.2788    0.0000 O   0  0
   10.3716  -16.5273    0.0000 C   0  0  2  0  0  0
   11.6698  -17.2804    0.0000 C   0  0
   11.6676  -18.7813    0.0000 C   0  0
   12.9658  -19.5343    0.0000 C   0  0
   12.9637  -21.0352    0.0000 N   0  0
   14.2619  -21.7882    0.0000 C   0  0
   14.2598  -23.2882    0.0000 N   0  0
   15.5622  -21.0405    0.0000 N   0  0
    9.0712  -17.2751    0.0000 N   0  0
  1  2  2  0
  1  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  4  9  1  0
  9 10  2  0
  9 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  0
 13 15  1  0
 12 16  1  0
 16 17  2  0
 16 18  1  0
 19 18  1  6
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
 19 28  1  0
 28 29  2  0
 28 30  1  0
  1 31  1  0
 31 32  1  6
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 31 37  1  0
 37 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 45 47  1  0
 40 48  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12761

> <plate>
PLATE 023

> <well>
E11

> <supplier_cmpd_name>
Thymopentin

> <ctcr_id>
11311

> <supplier_cmpd_id>
T2598

> <smiles>
C(=O)(N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"immune response stimulator"}

> <synonyms>
{THYMOPENTIN,69558-55-0,69558550,TP-5,TP5,Arg-Lys-Asp-Val-Tyr,ArgLysAspValTyr,ORF-15244,ORF15244,"Thymopoietin 32-36","Thymopoietin 3236","L-Tyrosine, L-arginyl-L-lysyl-L-a-aspartyl-L-valyl-","LTyrosi
ne, LarginylLlysylLaaspartylLvalyl",UNII-O3Y80ZF13F,UNIIO3Y80ZF13F,Thymopoietin,Timunox,O3Y80ZF13F,Sintomodulina,"ORF 15244","Thymopentin,(S)",NCGC00166412-01,NCGC0016641201,RK,T2598,Thymopentin}

> <pdid>
PD014629

> <targets>
{ER}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{451417}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  -11.6967    3.7417    0.0000 O   0  0
  -11.6946    5.2425    0.0000 C   0  0
  -12.9929    5.9956    0.0000 C   0  0
  -12.9930    7.4956    0.0000 C   0  0
  -14.2920    8.2456    0.0000 C   0  0
  -15.5910    7.4956    0.0000 C   0  0
  -15.5910    5.9956    0.0000 C   0  0
  -14.2920    5.2456    0.0000 C   0  0
  -10.3937    5.9907    0.0000 C   0  0
  -10.3889    7.4907    0.0000 C   0  0
   -9.0876    8.2367    0.0000 C   0  0
   -7.7909    7.4827    0.0000 C   0  0
   -7.7955    5.9828    0.0000 C   0  0
   -9.0968    5.2368    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 23 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12762

> <plate>
PLATE 023

> <well>
F2

> <supplier_cmpd_name>
Ebastine

> <ctcr_id>
6768

> <supplier_cmpd_id>
T2335

> <smiles>
CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4

> <pd_targets>
{REP,HTR1B,ADRA1B,ADRA1A,ADRA1D,RORC,HTR1A,HRH1,CHRM1,DRD2,FFP,LMNA,HTT,KCNH2,ABCB1,ADORA3,ADRA2B,HRH2,CHRM5,EGFR,HTR2B,SLC6A4,CHRM2,SLC6A3,CHRM3,HTR2C,ADRA2C,SLC6A2,FYN,HTR6,MTOR,DRD3,TACR2,ADRA2A,AD
RB3,DRD4,ACHE,CHRM4,ERBB2,HTR2A}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Transcription factor","Other nuclear protein","Unclassified protein","Ion channel",Transporter,Transferase,"Family A G protein-coupled receptor","Nuclear receptor","Voltag
e-gated ion channel","Primary active transporter",Kinase,"Electrochemical transporter",Hydrolase,"Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Potassium channels","
ATP-binding cassette","Protein Kinase","SLC superfamily of solute carriers","Peptide receptor (family A GPCR)","Monoamine receptor","Nuclear hormone receptor subfamily 1 group F","Voltage-gated potass
ium channel","ABCB subfamily","Nucleotide-like receptor (family A GPCR)","TK protein kinase group","SLC06 neurotransmitter transporter family","Atypical protein kinase group","Short peptide receptor (
family A GPCR)","Serotonin receptor","Adrenergic receptor","Nuclear hormone receptor subfamily 1 group F member 3","Histamine receptor","Acetylcholine receptor","Dopamine receptor","Adenosine receptor
","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Atypical protein kinase PIKK family","Neurokinin receptor","Tyrosine protein kinase SrcA","Atypical protein kinase FRAP su
bfamily"}

> <pathway_chembl>
{"Other protein targets",Receptors,"Ion channels",Transporters,Enzymes,"Anti-infective targets","G protein-coupled receptors","Nuclear hormone receptors","Voltage-gated ion channels","ATP-binding cass
ette transporter family","Catalytic receptors","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)","Acetylcholine turnover","Viral protein targets","5-Hydroxytryptamine receptors",Adrenoceptor
s,"1F. Retinoic acid-related orphans","Histamine receptors","Acetylcholine receptors (muscarinic)","Dopamine receptors","Potassium channels","ABCB subfamily","Adenosine receptors","Receptor kinases","
SLC6 neurotransmitter transporter family",Atypical,"Tachykinin receptors","Coronavirus (CoV) proteins","Voltage-gated potassium channels","TK: Tyrosine kinase","Monoamine transporter subfamily","Phosp
hatidyl inositol 3' kinase-related kinases (PIKK) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","FRAP subfamily","Type I RTKs: ErbB (epidermal growth factor) recep
tor family","Src family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Gene expression (Transcription)","Cell Cycle","Muscle contraction",Metabolism,"Neuronal System","Developmental Biology","Infectious disease","Signaling by GPCR","RNA Po
lymerase II Transcription",Mitotic,"Cardiac conduction","Abacavir transport and metabolism","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Metabolism of lipids","Ne
rvous system development","SARS-CoV Infections","GPCR ligand binding","Generic Transcription Pathway","M Phase","Phase 3 - rapid repolarisation","Abacavir transmembrane transport","Leishmania infectio
n","GPCR downstream signalling","Neurotransmitter clearance","SLC transporter disorders","HIV Infection","Phospholipid metabolism","Axon guidance","SARS-CoV-2 Infection","Class A/1 (Rhodopsin-like rec
eptors)","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Leishmania parasite growth and survival","G alpha (q) signalling events","Seroton
in clearance from the synaptic cleft","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)","Host Interactions of HIV factors","Trans
criptional Regulation by TP53","Glycerophospholipid biosynthesis","Semaphorin interactions","SARS-CoV-2 Genome Replication and Transcription","Amine ligand-binding receptors","RUNX3 Regulates Immune R
esponse and Cell Migration","Mitotic Anaphase","Regulation of MECP2 expression and activity","Nucleotide-like (purinergic) receptors","Anti-inflammatory response favouring Leishmania parasite infectio
n","Gastrin-CREB signalling pathway via PKC and MAPK","The role of Nef in HIV-1 replication and disease pathogenesis","Regulation of TP53 Activity","Peptide ligand-binding receptors","Synthesis of PC"
,"Sema4D in semaphorin signaling","Replication of the SARS-CoV-2 genome","Serotonin receptors",Adrenoceptors,"Histamine receptors","Muscarinic acetylcholine receptors","Dopamine receptors","Nuclear En
velope (NE) Reassembly","Adenosine P1 receptors","ADORA2B mediated anti-inflammatory cytokines production","EGFR Transactivation by Gastrin","Nef and signal transduction","Regulation of TP53 Expressio
n and Degradation","Tachykinin receptors bind tachykinins","Sema4D induced cell migration and growth-cone collapse","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{CYP3A4,HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{ebastine,90729-43-4,90729434,Ebastin,Kestine,Ebastel,Kestin,Bactil,"LAS W-090","LAS W090","RP 64305",UNII-TQD7Q784P1,UNIITQD7Q784P1,4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
,4(4benzhydryloxypiperidin1yl)1(4tertbutylphenyl)butan1one,1-(4-tert-butylphenyl)-4-(4-(diphenylmethoxy)piperidin-1-yl)butan-1-one,1(4tertbutylphenyl)4(4(diphenylmethoxy)piperidin1yl)butan1one,"LAS-W 
09","LASW 09",T2335,S4262,Ebastine}

> <pdid>
PD000095

> <targets>
{Others,"Histamine Receptor"}

> <classes>
{Others}

> <pubchem_cids>
{3191}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  1  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.8794   -1.4442    0.0000 C   0  0
   -4.8817   -2.5602    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  0
 11  5  1  0
 11 12  1  1
 12 13  1  0
 13 14  2  3
 10 14  1  1
 14 15  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12763

> <plate>
PLATE 023

> <well>
F3

> <supplier_cmpd_name>
Genipin

> <ctcr_id>
7216

> <supplier_cmpd_id>
T2210

> <smiles>
COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1CC=C2CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"choleretic agent"}

> <synonyms>
{Genipin,6902-77-8,6902778,UNII-A3V2NE52YG,UNIIA3V2NE52YG,A3V2NE52YG,ST080860,CHEBI:5298,C09780,MFCD00888600,AC1L9CSN,SureCN34249,SCHEMBL34249,MLS006010198,CHEMBL459016,AOB5626,DTXSID30894999,HMS3261H
13,EBD47596,EX-A4263,EXA4263,ZINC1681500,Tox21_500516,Tox21500516,Tox21-500516,"Tox21 500516",AM1140,">=98 (HP",T2210,S2412}

> <pdid>
PD012363

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{442424}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    5.2047   -5.9995    0.0000 C   0  0
    3.9048   -5.2510    0.0000 C   0  0
    3.9021   -3.7502    0.0000 C   0  0
    2.6015   -3.0012    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    3.8990   -0.7507    0.0000 C   0  0
    5.1988   -1.5010    0.0000 N   0  0
    6.5514   -0.8826    0.0000 C   0  0
    7.5529   -1.9993    0.0000 N   0  0
    6.8004   -3.2969    0.0000 C   0  0
    5.3338   -2.9821    0.0000 N   0  0
    3.9236   -2.2658    0.0000 C   0  0
    4.7894   -2.7661    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  7  1  0
  5 12  1  0
 12 13  3  0
  5 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12764

> <plate>
PLATE 023

> <well>
F4

> <supplier_cmpd_name>
Myclobutanil

> <ctcr_id>
11312

> <supplier_cmpd_id>
T2199

> <smiles>
CCCCC(Cn1cncn1)(C#N)c1ccc(cc1)Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MYCLOBUTANIL,88671-89-0,88671890,Systhane,"2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(4-chlorophenyl)hexanenitrile","2((1H1,2,4Triazol1yl)methyl)2(4chlorophenyl)hexanenitrile",Rally,"2-(4-chlorophenyl)-2-(
1,2,4-triazol-1-ylmethyl)hexanenitrile","2(4chlorophenyl)2(1,2,4triazol1ylmethyl)hexanenitrile","2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile","2(4Chlorophenyl)2(1H1,2,4triazol1ylme
thyl)hexanenitrile",CHEBI:,T2199,Myclobutanil}

> <pdid>
PD000134

> <targets>
{Antifungal,Fungal}

> <classes>
{Infection,Anti-infection}

> <pubchem_cids>
{6336}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 60 65  0  0  1  0            999 V2000
  -12.9846   -4.0165    0.0000 C   0  0
  -12.4734   -2.6063    0.0000 C   0  0
  -10.9958   -2.3429    0.0000 C   0  0
  -10.0298   -3.4904    0.0000 C   0  0
  -10.4843   -0.9319    0.0000 C   0  0
  -11.4503    0.2156    0.0000 O   0  0
   -9.0068   -0.6685    0.0000 N   0  0
   -8.4953    0.7425    0.0000 C   0  0  2  0  0  0
   -7.0170    1.0015    0.0000 C   0  0  1  0  0  0
   -6.5028    2.4106    0.0000 O   0  0
   -6.0528   -0.1487    0.0000 C   0  0
   -6.5669   -1.5578    0.0000 O   0  0
   -4.5745    0.1103    0.0000 O   0  0
   -3.6100   -1.0400    0.0000 C   0  0  1  0  0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  1  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
    0.2100   -0.3100    0.0000 C   0  0  1  0  0  0
    0.7159    1.1034    0.0000 O   0  0
   -0.2543    2.2485    0.0000 C   0  0
   -1.7302    1.9805    0.0000 O   0  0
    0.2514    3.6616    0.0000 C   0  0
   -0.7166    4.8075    0.0000 C   0  0
   -0.2083    6.2187    0.0000 C   0  0
    1.2680    6.4842    0.0000 C   0  0
    2.2361    5.3383    0.0000 C   0  0
    1.7278    3.9271    0.0000 C   0  0
    1.4900   -1.0400    0.0000 C   0  0  1  0  0  0
    1.4900   -2.4900    0.0000 C   0  0  1  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  1  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    4.0400   -2.4900    0.0000 C   0  0
    4.0400   -1.0400    0.0000 C   0  0  1  0  0  0
    4.7600    0.2300    0.0000 O   0  0
    3.4900    0.9500    0.0000 C   0  0
    2.7600   -0.3100    0.0000 C   0  0  1  0  0  0
    1.6143    0.6490    0.0000 O   0  0
    1.8691    2.1280    0.0000 C   0  0
    3.2768    2.6461    0.0000 C   0  0
    0.7169    3.0884    0.0000 O   0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
   -1.0600   -2.4900    0.0000 C   0  0  2  0  0  0
    0.2416   -1.7421    0.0000 O   0  0
    1.7193   -2.0048    0.0000 C   0  0
    2.2299   -3.4152    0.0000 C   0  0
    2.6858   -0.8577    0.0000 O   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -9.4595    1.8926    0.0000 C   0  0
  -10.9374    1.6359    0.0000 C   0  0
  -11.8987    2.7874    0.0000 C   0  0
  -11.3821    4.1957    0.0000 C   0  0
   -9.9043    4.4524    0.0000 C   0  0
   -8.9429    3.3010    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  2  0
 11 13  1  0
 14 13  1  1
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  1
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 28 18  1  6
 28 29  1  0
 29 30  1  6
 29 31  1  0
 31 32  1  6
 31 33  1  0
 34 33  1  6
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 28  1  0
 37 34  1  0
 37 38  1  1
 38 39  1  0
 39 40  1  0
 39 41  2  0
 29 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  1
 45 46  1  0
 46 47  1  0
 46 48  2  0
 44 49  1  0
 49 50  2  3
 50 14  1  0
 50 51  1  0
 49 52  1  0
 52 16  1  0
 52 53  1  0
 52 54  1  0
  8 55  1  0
 55 56  2  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 59 60  2  0
 60 55  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12765

> <plate>
PLATE 023

> <well>
F5

> <supplier_cmpd_name>
Cephalomannine

> <ctcr_id>
7207

> <supplier_cmpd_id>
T2217

> <smiles>
C\C=C(/C)C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(C)=O)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)c6ccccc6

> <pd_targets>
{FTL,RORC}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F me
mber 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Vesicle-mediated transport","Gene expression (Transcription)","Membrane Trafficking","RNA Polymerase II Transcription","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Golgi As
sociated Vesicle Biogenesis","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{}

> <broad_moa>
{"DNA polymerase inhibitor"}

> <synonyms>
{Cephalomannine,71610-00-9,71610009,"NSC 318735","Taxol B",UNII-N799XED1KL,UNIIN799XED1KL,N799XED1KL,"Paclitaxel Related Compound A",MFCD01075131,C45H53NO14,SodiumhydrogenferricDTPA,SCHEMBL33711,MLS00
6011264,CHEMBL305522,s2408,ZINC94303206,AKOS008901373,AKOS025401629,CCG-27,CCG27,S2408}

> <pdid>
PD021610

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{6436208}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 27  0  0  1  0            999 V2000
    7.7095    0.7464    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  1  0  0  0
    1.3092    5.2494    0.0000 C   0  0  2  0  0  0
    0.0127    6.0039    0.0000 O   0  0
    2.6108    5.9949    0.0000 C   0  0  1  0  0  0
    2.6160    7.4949    0.0000 O   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2088    5.9860    0.0000 O   0  0
    3.9020    3.7405    0.0000 C   0  0  2  0  0  0
    5.1985    2.9860    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0  2  0  0  0
    2.5953    1.4950    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0092   -6.0025    0.0000 O   0  0
   -2.6071   -5.9984    0.0000 O   0  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  1
  7  6  1  1
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  1  6
 14 16  1  0
 16  7  1  0
 16 17  1  6
  5 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 21  3  1  0
 21 22  1  1
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12766

> <plate>
PLATE 023

> <well>
F6

> <supplier_cmpd_name>
Kasugamycin hydrochloride

> <ctcr_id>
6576

> <supplier_cmpd_id>
T2762

> <smiles>
Cl.C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(O)=O

> <pd_targets>
{ALD,FFP,MAPT,ALDH1A1,ALOX15}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Transferase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover",Lipoxygenases}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Transmission across Chemical Synapses","Biological oxidations","Metabolism of lipids","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functi
onalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","Pos
t NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial 30S ribosomal subunit inhibitor"}

> <synonyms>
{"Kasugamycin hydrochloride",19408-46-9,19408469,UNII-SXA18D440T,UNIISXA18D440T,Kasumin,SXA18D440T,MFCD00058459,C14H25N3O9.HCl,"Kasugamycin (hydrochloride)","Kasugamycin, monohydrochloride",SR-0500000
1429,SR05000001429,DSSTox_CID_20739,DSSToxCID20739,DSSTox-CID-20739,"DSSTox CID 20739",DSSTox_RID_79582,DSSToxRID79582,DSSTox-RID-79582,"DSSTox RID 79582",DSSTox_GSID_4,DSSToxGSID4,DSSTox-GSID-4,"DSST
ox GSID 4",T2762,1505038,"KASUGAMYCIN HYDROCHLORIDE"}

> <pdid>
PD020126

> <targets>
{}

> <classes>
{antifungal}

> <pubchem_cids>
{88045}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    9.0769  -12.7722    0.0000 O   0  0
    7.7794  -12.0195    0.0000 N   0  0
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 20 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12767

> <plate>
PLATE 023

> <well>
F7

> <supplier_cmpd_name>
Rocilinostat

> <ctcr_id>
121

> <supplier_cmpd_id>
T2489

> <smiles>
ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c2ccccc2)c3ccccc3

> <pd_targets>
{HDAC1,HDAC2,HDAC6,HDAC8,HDAC7,HDAC10,HDAC4,HDAC3,HDAC5,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb","HDAC class IIa"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Disorders of Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Diseases of signal transduction by growth factor receptors and s
econd messengers","Disorders of Nervous System Development","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Pervasive developmental disorders","Transcriptional Regulation by
 TP53","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Ac
tivity","RUNX2 regulates bone development","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through 
Acetylation","RUNX2 regulates osteoblast differentiation","Separation of Sister Chromatids","RUNX2 regulates chondrocyte maturation","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC6,HDAC8}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{1316214-52-4,1316214524,ACY-1215,ACY1215,Ricolinostat,Rocilinostat,2-(Diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide,2(Diphenylamino)N(7(hydroxyamino)7oxoheptyl)pyrimidine5ca
rboxamide,"Rocilinostat (ACY-1215)","Rocilinostat (ACY1215)",UNII-WKT909C62B,UNIIWKT909C62B,ACY-63,ACY63,WKT909C62B,MFCD22666356,2-(Diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-5-,2(Diphenylamino)N
(7(hydroxyamino)7oxoheptyl)5,T2489,S8001}

> <pdid>
PD010271

> <targets>
{HDAC,Apoptosis}

> <classes>
{Epigenetics,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{53340666}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -4.0312   -5.2379    0.0000 N   0  0
   -5.4984   -5.5497    0.0000 C   0  0
   -6.2484   -4.2507    0.0000 C   0  0
   -5.2447   -3.1360    0.0000 S   0  0
   -7.7381   -4.0910    0.0000 N   0  3
   -8.3463   -2.7198    0.0000 O   0  0
   -8.6219   -5.3030    0.0000 O   0  5
   -2.5981    1.5000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 10  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
  4 18  1  0
M  CHG  2  15   1  17  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12768

> <plate>
PLATE 023

> <well>
F8

> <supplier_cmpd_name>
Tizoxanide

> <ctcr_id>
11313

> <supplier_cmpd_id>
T2279

> <smiles>
c1ccc(c(c1)C(=O)Nc1ncc(s1)[N+](=O)[O-])O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Tizoxanide,173903-47-4,173903474,2-hydroxy-N-(5-nitrothiazol-2-yl)benzamide,2hydroxyN(5nitrothiazol2yl)benzamide,Desacetyl-nitazoxanide,Desacetylnitazoxanide,"Benzamide, 2-hydroxy-N-(5-nitro-2-thiazo
lyl)-","Benzamide, 2hydroxyN(5nitro2thiazolyl)",UNII-15KFG88UOJ,UNII15KFG88UOJ,"2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide","2hydroxyN(5nitro1,3thiazol2yl)benzamide",NSC-697856,NSC697856,15KFG88U
OJ,2-Hydroxy-N-(5-nitr,2HydroxyN(5nitr,T2279}

> <pdid>
PD012823

> <targets>
{Antiviral,Autophagy,Bacterial,HIV}

> <classes>
{Immunology/Inflammation,Anti-infection,Autophagy}

> <pubchem_cids>
{394397}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
   10.3020    0.0267    0.0000 C   0  0
    8.8020    0.0216    0.0000 C   0  0
    7.9161    1.2320    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.9245   -1.1950    0.0000 O   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0042   -5.9990    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1973   -2.9959    0.0000 C   0  0
    8.3768    2.6577    0.0000 C   0  0
    7.3710    3.7705    0.0000 O   0  0
    9.8442    2.9730    0.0000 N   0  0
   10.3054    4.4003    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 12  1  0
 21 16  1  0
 19 22  1  0
 22 23  1  0
 18 24  1  0
 24 25  1  0
  3 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12769

> <plate>
PLATE 023

> <well>
F9

> <supplier_cmpd_name>
Fruquintinib

> <ctcr_id>
11314

> <supplier_cmpd_id>
T2656

> <smiles>
Cc1c(c2c(o1)cc(cc2)Oc1ncnc2cc(c(cc12)OC)OC)C(=O)NC

> <pd_targets>
{KDR,FLT4,FLT1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by VEGF","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR
 leading to receptor dimerization"}

> <broad_targets>
{KDR}

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{Fruquintinib,1194506-26-7,1194506267,HMPL-013,HMPL013,Fruquintinib(HMPL-013),Fruquintinib(HMPL013),UNII-49DXG3M5ZW,UNII49DXG3M5ZW,49DXG3M5ZW,"6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzof
uran-3-carboxamide","6(6,7dimethoxyquinazolin4yl)oxyN,2dimethyl1benzofuran3carboxamide","6-((6,7-dimethoxyquinazolin-4-yl)oxy)-N,2-dimethylbenzofuran-3-carboxamide","6((6,7dimethoxyquinazolin4yl)oxy)N
,2dimethylbenzofuran3carboxamide",6,T2656}

> <pdid>
PD052672

> <targets>
{VEGFRs,VEGFR}

> <classes>
{Angiogenesis,Tyrosine Kinase/Adaptors,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{44480399}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    5.1937   -3.0093    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1912   -4.5090    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 N   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -5.1835   -6.0134    0.0000 C   0  0
   -6.4856   -5.2687    0.0000 F   0  0
   -5.1778   -7.5134    0.0000 F   0  0
   -6.4795   -6.7685    0.0000 F   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 N   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
    2.5940    6.0054    0.0000 C   0  0
    3.8947    5.2583    0.0000 F   0  0
    2.5911    7.5054    0.0000 F   0  0
    3.8915    6.7581    0.0000 F   0  0
    3.8912   -5.2570    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 15 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
  8 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 25 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
  2 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12770

> <plate>
PLATE 023

> <well>
F10

> <supplier_cmpd_name>
Enasidenib

> <ctcr_id>
11315

> <supplier_cmpd_id>
T2346

> <smiles>
CC(C)(CNc1nc(nc(n1)Nc1cc(ncc1)C(F)(F)F)c1nc(ccc1)C(F)(F)F)O

> <pd_targets>
{IDH2,IDH1}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"1.1.1.42 Isocitrate dehydrogenases"}

> <pathway_reactome>
{Metabolism,"The citric acid (TCA) cycle and respiratory electron transport","Metabolism of vitamins and cofactors","Pyruvate metabolism and Citric Acid (TCA) cycle","Metabolism of cofactors","Citric 
acid cycle (TCA cycle)","NADPH regeneration"}

> <broad_targets>
{IDH1}

> <broad_moa>
{"isocitrate dehydrogenase inhibitor"}

> <synonyms>
{Enasidenib,1446502-11-9,1446502119,AG-221,AG221,"CC-90007 Free Base","CC90007 Free Base",IDHIFA,"AG-221 (Enasidenib)","AG221 (Enasidenib)","Enasidenib (AG-221)","Enasidenib (AG221)",UNII-3T1SS4E7AG,U
NII3T1SS4E7AG,"AG 221",CC-90007,CC90007,3T1SS4E7AG,"1446502-11-9 (free base)","1446502119 (free base)","Enasidenib (INN)",enasidenibum,AG-221(Enasidenib),AG221(Enasidenib),"AG-221; Ena","AG221; Ena",T
2346}

> <pdid>
PD012421

> <targets>
{IDH2,Isocitrate Dehydrogenase (IDH)}

> <classes>
{Metabolism,Metabolic Enzyme/Protease}

> <pubchem_cids>
{89683805}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
   11.6982   -0.7323    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4933    0.7599    0.0000 C   0  0
    5.1919    1.5058    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12771

> <plate>
PLATE 023

> <well>
F11

> <supplier_cmpd_name>
Octisalate

> <ctcr_id>
11316

> <supplier_cmpd_id>
T0027

> <smiles>
CCCCC(CC)COC(=O)c1ccccc1O

> <pd_targets>
{LMNA}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"2-ETHYLHEXYL SALICYLATE","2ETHYLHEXYL SALICYLATE",Octisalate,118-60-5,118605,"2-Ethylhexyl 2-hydroxybenzoate","2Ethylhexyl 2hydroxybenzoate","Sunarome O","Sunarome WMO","Benzoic acid, 2-hydroxy-, 2-
ethylhexyl ester","Benzoic acid, 2hydroxy, 2ethylhexyl ester","Ethylhexyl salicylate","USAF DO-11","USAF DO11","Salicylic acid, 2-ethylhexyl ester","Salicylic acid, 2ethylhexyl ester","NSC 46151",Sal,
T0027}

> <pdid>
PD000292

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{8364}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 18  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 S   0  0
    9.0999    0.7500    0.0000 P   0  0
    9.0999   -0.7500    0.0000 S   0  0
   10.3999    0.0000    0.0000 O   0  0
   11.6992    0.7496    0.0000 C   0  0
    9.0999    2.2507    0.0000 O   0  0
   10.3985    3.0016    0.0000 C   0  0
    6.5030    2.2508    0.0000 C   0  0
    5.2053    3.0031    0.0000 O   0  0
    7.8039    2.9994    0.0000 O   0  0
    7.8069    4.5002    0.0000 C   0  0
    9.1071    5.2484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
  9 13  1  0
 13 14  1  0
  7 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12772

> <plate>
PLATE 023

> <well>
G2

> <supplier_cmpd_name>
Malathion

> <ctcr_id>
6100

> <supplier_cmpd_id>
T1015

> <smiles>
CCOC(=O)CC(S[P](=S)(OC)OC)C(=O)OCC

> <pd_targets>
{HSD17B10,CYP3A4,ALOX15,ALDH1A1,FFP,ACE1,BCHE}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,"Cytochrome P450",Transferase,Hydrolase,"Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Eicosanoid turnover","Acetylcholine turnover","CYP3 family",Lipoxygenases}

> <pathway_reactome>
{Metabolism,"Metabolism of amino acids and derivatives","Metabolism of lipids","Biological oxidations","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)
","Phase I - Functionalization of compounds","Phospholipid metabolism","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Ethanol oxidation","Glycerophospholipid biosynthesis","Bio
synthesis of maresins","Biosynthesis of DPAn-3 SPMs","Synthesis of PC","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{ACHE}

> <broad_moa>
{"cholinesterase inhibitor"}

> <synonyms>
{malathion,Carbophos,121-75-5,121755,Carbofos,Mercaptothion,Karbofos,Phosphothion,Carbetox,Ethiolacar,Maldison,Prioderm,Sadophos,Cythion,Oleophosphothion,Chemathion,Sadofos,Ovide,Carbetovur,Fosfothion
,Fosfotion,Malagran,Malakill,Malaphos,Malaspray,Malat,T1015,330021,Malathion,MALATHION}

> <pdid>
PD001937

> <targets>
{}

> <classes>
{"cholinesterase inhibitor",insecticide}

> <pubchem_cids>
{4004}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  8  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12773

> <plate>
PLATE 023

> <well>
G3

> <supplier_cmpd_name>
Cresol

> <ctcr_id>
741

> <supplier_cmpd_id>
T0041

> <smiles>
Cc1ccc(O)cc1

> <pd_targets>
{ACHE}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,"Acetylcholine turnover"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Phospholipid metabolism","Glycerophospholipid biosynthesis","Synthesis of PC"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{P-CRESOL,PCRESOL,4-Methylphenol,4Methylphenol,106-44-5,106445,4-Cresol,4Cresol,4-Hydroxytoluene,4Hydroxytoluene,"Phenol, 4-methyl-","Phenol, 4methyl",para-Cresol,paraCresol,p-Methylphenol,pMethylphen
ol,p-Hydroxytoluene,pHydroxytoluene,"p-Tolyl alcohol","pTolyl alcohol",p-Kresol,pKresol,p-Oxytoluene,pOxytoluene,p-Toluol,pToluol,"p-Cresylic acid","pCresylic acid",1-Hydroxy-4-methylbenzene,1Hydroxy4
methylbenzene,p-Methylhydroxybenzene,pMethylhydroxybenzene,Paracreso,1500209,CRESOL}

> <pdid>
PD002404

> <targets>
{}

> <classes>
{antiinfectant}

> <pubchem_cids>
{2879}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
   11.6982   -0.7323    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.1992   -2.9856    0.0000 C   0  0
   -6.5013   -3.7302    0.0000 F   0  0
   -5.1935   -1.4856    0.0000 F   0  0
   -6.4953   -2.2305    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12774

> <plate>
PLATE 023

> <well>
G4

> <supplier_cmpd_name>
Etofenamate

> <ctcr_id>
2496

> <supplier_cmpd_id>
T2553

> <smiles>
OCCOCCOC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F

> <pd_targets>
{CYP2C19,CYP1A2,LMNA,CYP2C9}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Cytochrome P450",Protease,"Cytochrome P450 family 2","Cytochrome P450 family 1","Cysteine protease","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cysteine p
rotease CA clan","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 2C9","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Biological oxidations",Mitotic,"Phase I - Functionalization of compounds","M Phase","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase",Xenobiotic
s,"Mitotic Anaphase","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{RESTW140,"RESTW 140",ETOFENAMATE,30544-47-9,30544479,"30544 47 9","2-(2-Hydroxyethoxy)ethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate","2(2Hydroxyethoxy)ethyl 2((3(trifluoromethyl)phenyl)amino)ben
zoate","2 (2 Hydroxyethoxy)ethyl 2 ((3 (trifluoromethyl)phenyl)amino)benzoate","Bay d 1107",UNII-KZF0XM66JC,UNIIKZF0XM66JC,"UNII KZF0XM66JC","2-(2-hydroxyethoxy)ethyl 2-(3-(trifluoromethyl)anilino)ben
zoate","2(2hydroxyethoxy)ethyl 2(3(trifluoromethyl)anilino)benzoate","2 (2 hydroxyethoxy)ethyl 2 (3 (trifluoromethyl)anilino)benzoate",Bayrogel,Rheumon,KZF0XM66JC,TVX485,2-(2-hydroxyethox,2(2hydroxyet
hox,"2 (2 hydroxyethox",T2553,Prestw-1407,Etofenamate}

> <pdid>
PD009422

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{35375}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  0  0            999 V2000
    7.7794  -12.0187    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8847   -8.2572    0.0000 C   0  0
    2.5880   -7.5031    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  3
 19 14  1  0
 17 20  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12775

> <plate>
PLATE 023

> <well>
G5

> <supplier_cmpd_name>
Octyl 4-methoxycinnamate

> <ctcr_id>
11318

> <supplier_cmpd_id>
T0073

> <smiles>
CCCCC(CC)COC(=O)/C=C/C1=CC=C(C=C1)OC

> <pd_targets>
{TDP1}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"DNA Repair","DNA Double-Strand Break Repair","Nonhomologous End-Joining (NHEJ)"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"CTYL 4METHOXYCINNAMAT",Octinoxate,"2-Ethylhexyl 4-methoxycinnamate","2Ethylhexyl 4methoxycinnamate",83834-59-7,83834597,5466-77-3,5466773,"Parsol MCX",2-Ethylhexyl-p-methoxycinnamate,2Ethylhexylpmet
hoxycinnamate,"2-Ethylhexyl trans-4-methoxycinnamate","2Ethylhexyl trans4methoxycinnamate","Octyl methoxycinnamate","Parsol MOX","4-Methoxycinnamic Acid 2-Ethylhexyl Es","4Methoxycinnamic Acid 2Ethylh
exyl Es",T0073,"Octyl 4-methoxycinnamate"}

> <pdid>
PD000670

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5355130}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 10  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 O   0  0
    2.6000    0.0000    0.0000 P   0  0
    2.6000   -1.5000    0.0000 O   0  0
    1.2761   -0.7669    0.0000 O   0  0
    1.2773   -2.2669    0.0000 C   0  0
    3.9000    0.7500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 Cl  0  0
    6.5000    2.2500    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
  9 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12776

> <plate>
PLATE 023

> <well>
G6

> <supplier_cmpd_name>
Dichlorvos

> <ctcr_id>
1805

> <supplier_cmpd_id>
T1572

> <smiles>
CO[P](=O)(OC)OC=C(Cl)Cl

> <pd_targets>
{LMNA,TSHR,ACHE,ACE,CYP3A4,ALDH1A1,ALOX15}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor",Enzyme,"Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450",Oxidoreductase,"Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Glyc
ohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Acetylcholine turnover","Cytochrome P450","Eicosanoid turnover","Glycoprotein hormone receptors","CYP3 family",Lipoxygenases}

> <pathway_reactome>
{"Cell Cycle",Disease,Metabolism,Mitotic,"Infectious disease","Metabolism of lipids","Biological oxidations","M Phase","Leishmania infection","Phospholipid metabolism","Biosynthesis of specialized pro
resolving mediators (SPMs)","Phase I - Functionalization of compounds","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Glycerophospholipid biosynthesis","Biosynthesis of DH
A-derived SPMs","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of PC","Biosynthesis of maresi
ns","Biosynthesis of DPAn-3 SPMs","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived prote
ctins and resolvins","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"acetylcholinesterase inhibitor"}

> <synonyms>
{dichlorvos,62-73-7,62737,"62 73 7",DDVP,"2,2-Dichloroethenyl dimethyl phosphate","2,2Dichloroethenyl dimethyl phosphate","2,2 Dichloroethenyl dimethyl phosphate",Dichlorophos,Divipan,Vapona,Chlorvinp
hos,Brevinyl,Canogard,Dichlorphos,Equigard,Kr,T1572,330018,Dichlorvos,DICHLORVOS}

> <pdid>
PD001938

> <targets>
{}

> <classes>
{"cholinesterase inhibitor",insecticide}

> <pubchem_cids>
{3039}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12777

> <plate>
PLATE 023

> <well>
G7

> <supplier_cmpd_name>
Guaiacol

> <ctcr_id>
653

> <supplier_cmpd_id>
T1301

> <smiles>
COc1ccccc1O

> <pd_targets>
{TSHR,TP53,CA2,AMPC,CA1,LEF,CA4}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,"Family A G protein-coupled receptor",Lyase,Hydrolase,Protease,"Peptide receptor (family A GPCR)","Metallo protease","Glycohormone receptor","Metallo
 protease MAE clan","Metallo protease M34 family"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Carbonic anhydrases","Glycoprotein hormone receptors"}

> <pathway_reactome>
{Disease,"Cell Cycle","Transport of small molecules","Immune System","Infectious disease","Cell Cycle Checkpoints","O2/CO2 exchange in erythrocytes","Cytokine Signaling in Immune system","Leishmania i
nfection","G1/S DNA Damage Checkpoints","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins","Uptake and actions of bacterial toxins","Leishmania parasite growth and su
rvival","p53-Dependent G1/S DNA damage checkpoint","Interleukin-12 family signaling","Uptake and function of anthrax toxins","Anti-inflammatory response favouring Leishmania parasite infection","p53-D
ependent G1 DNA Damage Response","Interleukin-12 signaling","ADORA2B mediated anti-inflammatory cytokines production","Stabilization of p53","Gene and protein expression by JAK-STAT signaling after In
terleukin-12 stimulation","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{CA2}

> <broad_moa>
{"local anesthetic"}

> <synonyms>
{guaiacol,2-Methoxyphenol,2Methoxyphenol,90-05-1,90051,o-Methoxyphenol,oMethoxyphenol,2-Hydroxyanisole,2Hydroxyanisole,"Phenol, 2-methoxy-","Phenol, 2methoxy","Pyrocatechol monomethyl ether",Methylcat
echol,Guaiastil,Anastil,Guaicol,1-Hydroxy-2-methoxybenzene,1Hydroxy2methoxybenzene,"Pyroguaiac acid",o-Guaiacol,oGuaiacol,o-Hydroxyanisole,oHydroxyanisole,Guaicolina,Gu,T1301,Prestw-1268,Guaiacol}

> <pdid>
PD000172

> <targets>
{COX,Endogenous Metabolite,NF-ºB}

> <classes>
{Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{460}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  5  4  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 As  0  0
    2.6000    0.0000    0.0000 O   0  0
    3.9000    0.7500    0.0000 As  0  0
    5.1992    0.0004    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12778

> <plate>
PLATE 023

> <well>
G8

> <supplier_cmpd_name>
Arsenic oxide (3)

> <ctcr_id>
3234

> <supplier_cmpd_id>
T0046

> <smiles>
O=[As]O[As]=O

> <pd_targets>
{IKBKB,TXNRD1,JUN,CCND1,MAPK3,MAPK1,AKT1,LMNA}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other cytosolic protein","Other nuclear protein",Kinase,Oxidoreductase,"Protein Kinase","Other protein kinase group","CMGC protein kinase group","AGC protein kinase gro
up","Other protein kinase IKK family","CMGC protein kinase MAPK family","AGC protein kinase AKT family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","Other protein kinases","Mit
ogen-activated protein kinases (MAP kinases)","Akt (Protein kinase B","PKB) family","IKK family","ERK subfamily"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","Cell Cycle","Innate Immune System","RNA Polymerase II Transcription",Mitotic,"Toll-like Receptor Cascades","Generic Transcription Pathway","Mitotic 
G1 phase and G1/S transition","M Phase","Toll Like Receptor 4 (TLR4) Cascade","Transcriptional Regulation by TP53","Toll Like Receptor 5 (TLR5) Cascade","G1 Phase","Mitotic Metaphase and Anaphase","My
D88-independent TLR4 cascade","TP53 Regulates Metabolic Genes","MyD88 cascade initiated on plasma membrane","Cyclin D associated events in G1","Regulation of TP53 Activity","Mitotic Anaphase","TRIF(TI
CAM1)-mediated TLR4 signaling","MAP kinase activation","Regulation of TP53 Expression and Degradation","Nuclear Envelope (NE) Reassembly","IKK complex recruitment mediated by RIP1","MAPK targets/ Nucl
ear events mediated by MAP kinases","Regulation of TP53 Degradation","Initiation of Nuclear Envelope (NE) Reformation","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","ERKs
 are inactivated"}

> <broad_targets>
{AKT1,CCND1,IKBKB,JUN,MAPK1,MAPK3,TXNRD1}

> <broad_moa>
{"apoptosis stimulant"}

> <synonyms>
{MFCD00003433,arsenic-trioxide,arsenictrioxide,A1010_SIAL,A1010SIAL,A1010-SIAL,"A1010 SIAL",CHEMBL1200978,"Arsenic(III) oxide, elec. gr.",NSC92859,"Arsenic(III) oxide, Puratronic(R)","Arsenic(III) oxi
de, primary standard",AKOS015903780,"CID 261004",DB01169,"Arsenic(III) oxide",p.a.,99.,T0046,92859,"NSC 92859","Arsenic oxide (3)","Arsenic trioxide"}

> <pdid>
PD004128

> <targets>
{}

> <classes>
{"Natural product"}

> <pubchem_cids>
{261004}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 20  0  0  0  0            999 V2000
    8.6607   -0.5175    0.0000 H   0  3
    6.1607   -0.5175    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.4469   -5.2297    0.0000 N   0  0
    2.9152   -5.5365    0.0000 C   0  0
    3.6607   -4.2349    0.0000 C   0  0
    2.6532   -3.1236    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2985    3.7517    0.0000 C   0  0
   -1.2993    3.7504    0.0000 C   0  0
   -0.0007    4.5008    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
 11  4  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  1  0
  6 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12779

> <plate>
PLATE 023

> <well>
G9

> <supplier_cmpd_name>
Oxymetazoline hydrochloride

> <ctcr_id>
343

> <supplier_cmpd_id>
T0252

> <smiles>
[H+].[Cl-].Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C

> <pd_targets>
{CYP3A4,CYP2D6,CYP1A2,ADRA1A,ADRA2A,ADRA2B,ADRA2C,ADRA1B,ADRA1D,LMNA,NISCH,TSHR,HTR1A,HTR7,HTR1B,HTR1D,CHRM1,HTR1E,DRD2,HTR2A,HTR2B,LEF,SLC22A1,KMT2A,MEN1,HTR2C,PMP22,BLM,NPSR1,IMPA1,HTR6,CHRM4,CHRM5}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Other cytosolic protein",Transporter,"Epigenetic regulator","Unclassified protein","Cytochrome P450","Family A G protein-coupled receptor",Protease
,"Electrochemical transporter",Reader,Hydrolase,"Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Peptide receptor (family A G
PCR)","Metallo protease","SLC superfamily of solute carriers",Bromodomain,"Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Monoamine receptor","Glycohormone recepto
r","Metallo protease MAE clan","SLC22 family of organic cation and anion transporters","Short peptide receptor (family A GPCR)","Cytochrome P450 3A4","Cytochrome P450 2D6","Cytochrome P450 1A1","Adren
ergic receptor","Serotonin receptor","Acetylcholine receptor","Dopamine receptor","Metallo protease M34 family","Neuropeptide receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Inositol phosphate turnover","CYP3 family","CYP2 family: drug metabolising subset"
,"CYP1 family",Adrenoceptors,"Glycoprotein hormone receptors","5-Hydroxytryptamine receptors","Acetylcholine receptors (muscarinic)","Dopamine receptors","SLC22 family of organic cation and anion tran
sporters","Neuropeptide S receptor","Inositol monophosphatase","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Cell Cycle",Disease,"Transport of small molecules","Developmental Biology","DNA Repair","Metabolism of lipids","Biological oxidations","Signaling by GPCR",Mitotic,"I
nfectious disease","SLC-mediated transmembrane transport","Nervous system development","DNA Double-Strand Break Repair","Inositol phosphate metabolism","Biosynthesis of specialized proresolving mediat
ors (SPMs)","Phase I - Functionalization of compounds","GPCR ligand binding","M Phase","Leishmania infection","Uptake and actions of bacterial toxins","Transport of bile salts and organic acids","meta
l ions and amine compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Synthesis of IP2",IP,"and Ins in the cytosol","Biosynthesis of DHA-derived SPMs
","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Uptake and function of anthrax toxin
s","Organic cation/anion/zwitterion transport","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of maresins",Xenobiotics,"Amine ligand-binding receptors","Mi
totic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Organic cation transport","HDR through Homologous Recombination (HRR)","Biosynthesis of maresin-like SPMs","CYP2E1
 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2",Adrenoceptors,"Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Serotonin rec
eptors","Muscarinic acetylcholine receptors","Dopamine receptors","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pa
iring and strand exchange"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,HTR1B,HTR1D,HTR2C}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{AKOS015896004,A816594,"Oxymetazoline hydrochloride","Oxymetazoline HCl",2315-02-8,2315028,Afrazine,Ocuclear,"Afrin hydrochloride","Oxymetazoline (hydrochloride)","Sch 9384","Vicks Sinex",UNII-K89MJ0S
5VY,UNIIK89MJ0S5VY,K89MJ0S5VY,MLS000038040,CHEBI:,T0252,S2495,1500453,Prestw-224,"OXYMETAZOLINE HYDROCHLORIDE"}

> <pdid>
PD009632

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"adrenergic agonist","nasal decongestant","Neuronal Signaling"}

> <pubchem_cids>
{51066582,66259,43834307}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 46 52  0  0  1  0            999 V2000
   -2.4701    2.4537    0.0000 C   0  0
   -2.4780    0.9537    0.0000 C   0  0
   -1.1701    0.1892    0.0000 N   0  0
   -2.1650   -1.4293    0.0000 C   0  0
   -1.1841   -1.1841    0.0000 C   0  0  2  0  0  0
   -2.6667   -1.4619    0.0000 C   0  0
   -3.1547   -2.8811    0.0000 O   0  0
   -4.6268   -3.1689    0.0000 C   0  0
   -2.2982   -0.5465    0.0000 C   0  0  2  0  0  0
   -3.5937   -1.3025    0.0000 O   0  0
   -2.3052    0.7287    0.0000 C   0  0
   -1.1981    1.3733    0.0000 C   0  0
   -1.2076    2.8762    0.0000 O   0  0
   -2.5109    3.6188    0.0000 C   0  0
   -0.0841    0.7357    0.0000 C   0  0  1  0  0  0
    0.6937    1.5064    0.0000 C   0  0
    0.5255    2.7396    0.0000 C   0  0
    1.6536    3.2791    0.0000 C   0  0  2  0  0  0
    1.9854    1.8163    0.0000 O   0  0
    4.1059    3.2791    0.0000 C   0  0  1  0  0  0
    5.1381    4.3572    0.0000 O   0  0
    4.7255    5.7993    0.0000 C   0  0
    4.4632    2.0459    0.0000 C   0  0  2  0  0  0
    5.9156    1.6711    0.0000 O   0  0
    2.4944    0.0841    0.0000 C   0  0  2  0  0  0
    3.3223   -1.1613    0.0000 O   0  0
    4.8213   -1.0878    0.0000 C   0  0
    5.2780   -0.1982    0.0000 C   0  0
    5.6348   -2.3480    0.0000 O   0  0
    1.9058   -1.0650    0.0000 C   0  0  1  0  0  0
    0.6796   -1.2822    0.0000 C   0  0  2  0  0  0
    0.1668   -2.6972    0.0000 O   0  0
    1.1310   -3.8462    0.0000 C   0  0
   -0.0771   -0.5325    0.0000 C   0  0
   -0.0841    1.8497    0.0000 C   0  0  1  0  0  0
    1.9198    1.2752    0.0000 C   0  0
    2.5224    2.3752    0.0000 C   0  0  1  0  0  0
    3.9876    2.0494    0.0000 O   0  0
    4.4389    0.6181    0.0000 C   0  0
    3.4252   -0.4875    0.0000 O   0  0
    5.9039    0.2923    0.0000 C   0  0
    6.3571   -1.1376    0.0000 C   0  0
    7.8220   -1.4602    0.0000 C   0  0
    8.8338   -0.3529    0.0000 C   0  0
    8.3808    1.0770    0.0000 C   0  0
    6.9159    1.3997    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 15 12  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  1  1
 21 22  1  0
 20 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  1
 26 27  1  0
 27 28  1  0
 27 29  2  0
 30 25  1  1
 30 31  1  0
 31 32  1  6
 32 33  1  0
 31 34  1  0
 34  5  1  0
 34 15  1  0
 30 35  1  0
 35  3  1  6
 35 15  1  0
 25 36  1  0
 36 16  1  0
 36 37  1  0
 37 18  1  0
 37 38  1  6
 38 39  1  0
 39 40  2  0
 39 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 41  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12780

> <plate>
PLATE 023

> <well>
G10

> <supplier_cmpd_name>
Aconitine

> <ctcr_id>
1305

> <supplier_cmpd_id>
T2135

> <smiles>
CCN1C[C@]2(COC)[C@H](O)CC(OC)[C@@]34C5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(C)=O)([C@@H]([C@H](OC)C23)[C@@H]14)C5[C@H]6OC(=O)c7ccccc7

> <pd_targets>
{SCN2A,SCN5A}

> <pathway_gtopdb>
{"Ion channel","Voltage-gated ion channel","Voltage-gated sodium channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Voltage-gated sodium channels"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","L1CAM interactions","Interaction between L1 and Ankyrins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{aconitine,SR-05000002091,SR05000002091,Spectrum_000207,Spectrum000207,Spectrum-000207,"Spectrum 000207",Spectrum2_000637,Spectrum2000637,Spectrum2-000637,"Spectrum2 000637",Spectrum3_000269,Spectrum3
000269,Spectrum3-000269,"Spectrum3 000269",Spectrum4_001636,Spectrum4001636,Spectrum4-001636,"Spectrum4 001636",Spectrum5_000451,Spectrum5000451,Spectrum5-000451,"Spectrum5 000451",BSPBio_001718,BSPBi
o001718,BSPBio-001718,"BSPBio 001718",KBioGR_002071,KBioGR002071,KBioGR-002071,"KBioGR 002071",KBioSS_000687,KBioSS000687,KBioSS-000687,"KBioSS 000687",DivK1c_000122,DivK1c000122,DivK1c-000122,"DivK1c
 000122",SPECTRUM1500655,SPBio_000634,SPBio000634,SPBio-000634,"SPBio 000634",HMS500G04,KBio1_000122,KBio1000122,KBio1-000122,"KBio1 000122",KBio2_000687,KBio2000687,KBio2-000687,"KBio2 000687",KBio2_
003255,KBio2003255,KBio2-003255,"KBio2 003255",KB,1500655,ACONITINE}

> <pdid>
PD012058

> <targets>
{}

> <classes>
{"and cardiotoxin",antipyretic,"anesthetic (gastric)"}

> <pubchem_cids>
{6708463}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 35  0  0  1  0            999 V2000
   -7.0175   -4.2121    0.0000 C   0  0
   -6.7971   -2.7283    0.0000 O   0  0
   -5.4015   -2.1786    0.0000 C   0  0
   -4.3932   -3.1329    0.0000 C   0  0
   -3.1149   -2.7008    0.0000 C   0  0
   -1.8725   -3.2589    0.0000 N   0  0
   -0.9543   -2.2326    0.0000 C   0  0
    0.3601   -2.5387    0.0000 C   0  0  2  0  0  0
    0.7742   -3.8531    0.0000 C   0  0
    0.0000   -4.8794    0.0000 C   0  0
   -1.4584   -4.5733    0.0000 C   0  0
   -2.4657   -5.6848    0.0000 O   0  0
    2.0166   -4.3572    0.0000 O   0  0
    3.2229   -3.6370    0.0000 C   0  0
    3.5830   -2.5027    0.0000 C   0  0
    2.7728   -1.4944    0.0000 C   0  0
    2.0166    0.9003    0.0000 C   0  0
   -0.8822    1.4404    0.0000 N   0  0
   -2.4487    1.0083    0.0000 C   0  0
   -2.5927   -0.3241    0.0000 C   0  0
   -1.3684   -0.9183    0.0000 C   0  0  1  0  0  0
   -0.4681    0.1080    0.0000 C   0  0  2  0  0  0
    0.8462    0.0000    0.0000 C   0  0
    1.2604   -1.4944    0.0000 C   0  0  2  0  0  0
   -2.7188   -0.9183    0.0000 C   0  0
   -3.7090    0.0180    0.0000 C   0  0
   -5.0234   -0.4141    0.0000 C   0  0
   -6.0621    0.6678    0.0000 O   0  0
   -5.6429    2.1080    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
 11 12  2  0
  9 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 21 20  1  1
 21  7  1  0
 21 22  1  0
 22 18  1  0
 22 23  1  1
 24 23  1  1
 24  8  1  0
 24 16  1  0
 21 25  1  0
 25  5  2  0
 25 26  1  0
 26 27  2  0
 27  3  1  0
 27 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12781

> <plate>
PLATE 023

> <well>
G11

> <supplier_cmpd_name>
Brucin

> <ctcr_id>
1581

> <supplier_cmpd_id>
T0047

> <smiles>
COc1cc2N3C4[C@@H]5C(CC3=O)OCC=C6CN7CC[C@]4([C@@H]7C[C@H]56)c2cc1OC

> <pd_targets>
{CHRM2,CHRM1,CHRM4,CHRM3,TAS2R10,CHRM5}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Taste family G protein-coupled receptor","Small molecule receptor (family A GPCR)","Taste receptor (taste family GPCR)","Monoamine receptor"
,"Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)","Orphan and other 7TM receptors","Taste 2 receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","GPCR downstream signalling","Class A/1 (Rhodopsin-like receptors)","G alpha (i) signalling events","Amine ligand-binding receptors","M
uscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5}

> <broad_moa>
{"glycine receptor antagonist"}

> <synonyms>
{"2,3-Dimethoxystrychnidin-10-one","2,3Dimethoxystrychnidin10one",SR-05000001553,SR05000001553,Spectrum_001121,Spectrum001121,Spectrum-001121,"Spectrum 001121",SpecPlus_000567,SpecPlus000567,SpecPlus-
000567,"SpecPlus 000567",Spectrum2_000564,Spectrum2000564,Spectrum2-000564,"Spectrum2 000564",Spectrum3_000624,Spectrum3000624,Spectrum3-000624,"Spectrum3 000624",Spectrum4_001882,Spectrum4001882,Spec
trum4-001882,"Spectrum4 001882",Spectrum5_000504,Spectrum5000504,Spectrum5-000504,"Spectrum5 000504",BSPBio_002188,BSPBio002188,BSPBio-002188,"BSPBio 002188",KBioGR_002408,KBioGR002408,KBioGR-002408,"
KBioGR 002408",KBioSS_001601,KBioSS001601,KBioSS-001601,"KBioSS 001601",DivK1c_006663,DivK1c006663,DivK1c-006663,"DivK1c 006663",SPECTRUM1500822,SPBio_000348,SPBio000348,SPBio-000348,"SPBio 000348",SC
HEMBL164897,T0047,1500822,Brucin,BRUCINE}

> <pdid>
PD001567

> <targets>
{}

> <classes>
{"central stimulant"}

> <pubchem_cids>
{9649}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 31  0  0  1  0            999 V2000
   -2.4657   -5.6848    0.0000 O   0  0
   -1.4584   -4.5733    0.0000 C   0  0
    0.0000   -4.8794    0.0000 C   0  0
    0.7742   -3.8531    0.0000 C   0  0
    2.0166   -4.3572    0.0000 O   0  0
    3.2229   -3.6370    0.0000 C   0  0
    3.5830   -2.5027    0.0000 C   0  0
    2.7728   -1.4944    0.0000 C   0  0
    2.0166    0.9003    0.0000 C   0  0
   -0.8822    1.4404    0.0000 N   0  0
   -2.4487    1.0083    0.0000 C   0  0
   -2.5927   -0.3241    0.0000 C   0  0
   -1.3684   -0.9183    0.0000 C   0  0  1  0  0  0
   -0.4681    0.1080    0.0000 C   0  0
    0.8462    0.0000    0.0000 C   0  0
    1.2604   -1.4944    0.0000 C   0  0  2  0  0  0
    0.3601   -2.5387    0.0000 C   0  0  2  0  0  0
   -0.9543   -2.2326    0.0000 C   0  0
   -1.8725   -3.2589    0.0000 N   0  0
   -3.1149   -2.7008    0.0000 C   0  0
   -4.3932   -3.1329    0.0000 C   0  0
   -5.4015   -2.1786    0.0000 C   0  0
   -5.0234   -0.4141    0.0000 C   0  0
   -3.7090    0.0180    0.0000 C   0  0
   -2.7188   -0.9183    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 13 12  1  1
 13 14  1  0
 14 10  1  0
 14 15  1  0
 16 15  1  1
 16  8  1  0
 16 17  1  0
 17  4  1  1
 17 18  1  0
 18 13  1  0
 18 19  1  0
 19  2  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 13  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12782

> <plate>
PLATE 023

> <well>
H2

> <supplier_cmpd_name>
Strychnine

> <ctcr_id>
4340

> <supplier_cmpd_id>
T0052

> <smiles>
O=C1CC2OCC=C3CN4CC[C@@]56C4C[C@@H]3[C@@H]2C5N1c7ccccc67

> <pd_targets>
{CHRM1,CHRM2,GLRA1,GLRA2,GLRA3,GLRB,CHRM4,CHRM3,SCN1A,SCN2A,SCN3A,CYP3A4,TAS2R10,TAS2R46,CHRNA9,CHRNA10,CHRM5,KMT2A,MEN1}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel",Enzyme,"Unclassified protein","Epigenetic regulator","Family A G protein-coupled receptor","Ligand-gated ion channel","Voltage-gated ion channel","Cytochrome P450","
Taste family G protein-coupled receptor",Reader,"Small molecule receptor (family A GPCR)","Glycine receptor","Voltage-gated sodium channel","Cytochrome P450 family 3","Taste receptor (taste family GPC
R)","Nicotinic acetylcholine receptor",Bromodomain,"Monoamine receptor","Cytochrome P450 family 3A","Nicotinic acetylcholine receptor alpha subunit","Acetylcholine receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","Cytochrome P450","Ligand-gated ion channels","Acetylcholine receptors (muscarinic)","CYP3 family","Glycine receptors","Orphan and other
 7TM receptors","Nicotinic acetylcholine receptors","Taste 2 receptors"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Neuronal System","Signaling by GPCR","Metabolism of lipids","Transmission across Chemical Synapses","GPCR ligand binding","Biosynthesis of specialized proresolving m
ediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","GPCR downstream signalling","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","G alpha (i) s
ignalling events","Acetylcholine binding and downstream events","Amine ligand-binding receptors","Biosynthesis of maresins","Postsynaptic nicotinic acetylcholine receptors","Muscarinic acetylcholine r
eceptors","Biosynthesis of maresin-like SPMs","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,CHRNA10,CHRNA9,GLRA1,GLRA2,GLRA3,GLRB}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{SR-05000001745,SR05000001745,Spectrum_000205,Spectrum000205,Spectrum-000205,"Spectrum 000205",Spectrum2_000077,Spectrum2000077,Spectrum2-000077,"Spectrum2 000077",Spectrum3_000280,Spectrum3000280,Spe
ctrum3-000280,"Spectrum3 000280",Spectrum4_000607,Spectrum4000607,Spectrum4-000607,"Spectrum4 000607",Spectrum5_001761,Spectrum5001761,Spectrum5-001761,"Spectrum5 001761",BSPBio_001760,BSPBio001760,BS
PBio-001760,"BSPBio 001760",KBioGR_001134,KBioGR001134,KBioGR-001134,"KBioGR 001134",KBioSS_000685,KBioSS000685,KBioSS-000685,"KBioSS 000685",DivK1c_000536,DivK1c000536,DivK1c-000536,"DivK1c 000536",S
PECTRUM1500651,SPBio_000293,SPBio000293,SPBio-000293,"SPBio 000293",CHEBI:91513,HMS501K18,KBio1_000536,KBio1000536,KBio1-000536,"KBio1 000536",KBio2_000685,KBio2000685,KBio2-000685,"KBio2 000685",KBio
2_003253,KBio2003253,KBio2-003253,"KBio2 003253",T0052,1500651,Strychnine,STRYCHNINE}

> <pdid>
PD014394

> <targets>
{}

> <classes>
{"central stimulant"}

> <pubchem_cids>
{5702135}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    3.9200   -5.8774    0.0000 C   0  0
    4.8054   -4.6666    0.0000 N   0  0
    6.2966   -4.8284    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    6.4451   -1.8434    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.2566    0.5871    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.6120   -3.9767    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  9 16  1  0
 16  4  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12783

> <plate>
PLATE 023

> <well>
H3

> <supplier_cmpd_name>
Aminophenazone

> <ctcr_id>
926

> <supplier_cmpd_id>
T0936

> <smiles>
CN(C)C1=C(C)N(C)N(c2ccccc2)C1=O

> <pd_targets>
{NAPRT,TSHR,THRB,CYP1A2,LMNA}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Transcription factor","Other nuclear protein",Ligase,"Family A G protein-coupled receptor","Nuclear receptor","Cytochrome P450","Peptide receptor (family A GPCR)","Nuclear
 hormone receptor subfamily 1","Cytochrome P450 family 1","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group A","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group
 A member 2","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Nuclear hormone receptors","Cytochrome P450","Glycoprotein hormone receptors","1A. Thyroid hormone receptors","CYP1 family"}

> <pathway_reactome>
{Metabolism,Disease,"Metabolism of proteins","Cell Cycle","Metabolism of vitamins and cofactors","Infectious disease","Post-translational protein modification","Biological oxidations",Mitotic,"Metabol
ism of water-soluble vitamins and cofactors","Leishmania infection",SUMOylation,"Phase I - Functionalization of compounds","M Phase","Nicotinate metabolism","Leishmania parasite growth and survival","
SUMO E3 ligases SUMOylate target proteins","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Nicotinamide salvaging","Anti-inflammatory response favouring Leishmania par
asite infection","SUMOylation of intracellular receptors",Xenobiotics,"Mitotic Anaphase","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkylat
ed by CYP1A2","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"analgesic agent"}

> <synonyms>
{RESTW8,aminophenazone,AMINOPYRINE,Amidopyrine,58-15-1,58151,4-Dimethylaminoantipyrine,4Dimethylaminoantipyrine,Dipyrine,Pyramidon,Aminofenazone,Dimethylaminophenazone,Amidazophen,Amidophen,Aminopyrin
,Dimethylaminoazophene,Amidophenazone,Amidopyrazoline,Aminophenazon,Dimethylaminoant,T0936,1500621,Prestw-88,Aminophenazone}

> <pdid>
PD001715

> <targets>
{}

> <classes>
{analgesic,antipyretic}

> <pubchem_cids>
{6009}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 24  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -14.2989    0.7273    0.0000 C   0  0
  -15.5995    1.4746    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12  3  1  0
 12 13  2  0
  9 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12784

> <plate>
PLATE 023

> <well>
H4

> <supplier_cmpd_name>
Idebenone

> <ctcr_id>
6287

> <supplier_cmpd_id>
T0412

> <smiles>
COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCCO

> <pd_targets>
{LMNA,RORC,MAPT,TGR,FTL,MAPK1,SIRT2,ALD,HTT,CYP2C9,CYP2D6,CYP3A4,CYP2C19}

> <pathway_gtopdb>
{"Other nuclear protein","Transcription factor","Other cytosolic protein",Enzyme,"Unclassified protein","Epigenetic regulator","Nuclear receptor",Kinase,Eraser,"Cytochrome P450",Transferase,"Nuclear h
ormone receptor subfamily 1","Protein Kinase","Histone deacetylase","Cytochrome P450 family 2","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","HD
AC class III","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome 
P450 2C9","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 2C19","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Cytochrome P450","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families
","3.5.1.- Histone deacetylases (HDACs)","CYP2 family: drug metabolising subset","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Neuronal System","Vesicle-mediated transport","Immune System",Metabolism,Mitotic,"RNA Polymerase II Transcription","Transmission across Chemical Synaps
es","Membrane Trafficking","Innate Immune System","Biological oxidations","Metabolism of lipids","M Phase","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmiss
ion","trans-Golgi Network Vesicle Budding","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic Metaphase and A
naphase","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regul
ation by MECP2","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation
 events","MyD88 cascade initiated on plasma membrane","Regulation of MECP2 expression and activity",Xenobiotics,"Biosynthesis of maresins","Nuclear Envelope (NE) Reassembly","Activation of AMPK downst
ream of NMDARs","MAP kinase activation","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases",
"ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"calcium channel modulator"}

> <synonyms>
{idebenone,58186-27-9,58186279,Idebenona,Idebenonum,"CV 2619","2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","2(10hydroxydecyl)5,6dimethoxy3methylcyclohexa2,5diene1,4dione",
CV-2619,CV2619,UNII-HB6PN45W4J,UNIIHB6PN45W4J,"BRN 2001459",CHEBI:31687,"2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-p-benzoquinone","2(10Hydroxydecyl)5,6dimethoxy3methylpbenzoquinone",2-(10,2(10,T0412
,SAM001246700,Prestw-1288,Idebenone,CPD000466364}

> <pdid>
PD000297

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3686}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  6  6  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12785

> <plate>
PLATE 023

> <well>
H5

> <supplier_cmpd_name>
Antepan

> <ctcr_id>
2836

> <supplier_cmpd_id>
T0403

> <smiles>
C1CNCCN1

> <pd_targets>
{MAPT,GABRB3,HIF1A}

> <pathway_gtopdb>
{"Other cytosolic protein","Ion channel","Ligand-gated ion channel","GABA-A receptor","Transcription factor"}

> <pathway_chembl>
{"Ion channels","Ligand-gated ion channels","GABA<sub>A</sub> receptors"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","GABA receptor activ
ation","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs","Cellular responses to external stimuli","Cellular responses to stress","Cellular response to hypoxia","Oxygen-d
ependent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
{GABRB3}

> <broad_moa>
{"benzodiazepine receptor agonist"}

> <synonyms>
{MANGANESE(II)SILICOFLUORIDE,NINDS_000038,NINDS000038,NINDS-000038,"NINDS 000038",piperazine,110-85-0,110850,Diethylenediamine,"1,4-Diazacyclohexane","1,4Diazacyclohexane",Piperazin,Hexahydropyrazine,
Piperazidine,Antiren,"1,4-Piperazine","1,4Piperazine",Diethyleneimine,Eraverm,Pipersol,Dispermine,Lumbrical,Wurmirazin,Uvilon,Pip,T0403,1500490,Antepan,PIPERAZINE}

> <pdid>
PD001796

> <targets>
{}

> <classes>
{anthelmintic}

> <pubchem_cids>
{4837}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 12  0  0  0  0            999 V2000
   -2.0541   -1.3755    0.0000 C   0  0
   -0.8987    0.0000    0.0000 N   0  0
    0.3852   -0.6052    0.0000 C   0  0
    1.7607   -0.2751    0.0000 N   0  0
    0.7703   -1.5223    0.0000 C   0  0
   -0.6052   -0.9721    0.0000 N   0  0
   -0.6052    0.5686    0.0000 C   0  0
    0.4035    1.7790    0.0000 N   0  0
   -0.8987    1.3205    0.0000 C   0  0
    1.7790    1.2105    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  2  1  0
  8 10  1  0
 10  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12786

> <plate>
PLATE 023

> <well>
H6

> <supplier_cmpd_name>
Hexamethylenetetramine

> <ctcr_id>
1722

> <supplier_cmpd_id>
T0405

> <smiles>
C1N2CN3CN1CN(C2)C3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA inhibitor"}

> <synonyms>
{methenamine,Hexamethylenetetramine,100-97-0,100970,Hexamine,Urotropine,Aminoform,Urotropin,Hexamethylenamine,"Hexamethylene tetramine","1,3,5,7-Tetraazaadamantane","1,3,5,7Tetraazaadamantane",Methena
min,HMTA,Hexamethylenetetraamine,Formamine,Uritone,Aminoformaldehyde,Ammoniofor,T0405,1500394,Prestw-1282,METHENAMINE,Methenamine}

> <pdid>
PD001865

> <targets>
{}

> <classes>
{"antibacterial (urinary)"}

> <pubchem_cids>
{4101}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12787

> <plate>
PLATE 023

> <well>
H7

> <supplier_cmpd_name>
Acetanilide

> <ctcr_id>
3749

> <supplier_cmpd_id>
T0406

> <smiles>
CC(=O)Nc1ccccc1

> <pd_targets>
{NAPRT,HSD17B10}

> <pathway_gtopdb>
{Enzyme,Ligase,Oxidoreductase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of vitamins and cofactors","Metabolism of amino acids and derivatives","Metabolism of water-soluble vitamins and cofactors","Branched-chain amino acid catabolism","Nicotinate m
etabolism","Nicotinamide salvaging"}

> <broad_targets>
{}

> <broad_moa>
{"hydrogen peroxide decomposition inhibitor"}

> <synonyms>
{acetanilide,N-Phenylacetamide,NPhenylacetamide,103-84-4,103844,Antifebrin,Acetanil,Acetamidobenzene,"Acetamide, N-phenyl-","Acetamide, Nphenyl",N-Acetylaniline,NAcetylaniline,Acetylaniline,Acetanilid
,"Acetic acid anilide",Acetylaminobenzene,Acetoanilide,Phenalgene,Phenalgin,"Aniline, N-acetyl-","Aniline, Nacetyl",N-acety,Nacety,T0406,1501173,Acetanilide,ACETANILIDE}

> <pdid>
PD001483

> <targets>
{}

> <classes>
{analgesic,antipyretic}

> <pubchem_cids>
{904}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9  3  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12788

> <plate>
PLATE 023

> <well>
H8

> <supplier_cmpd_name>
Mexenone

> <ctcr_id>
11319

> <supplier_cmpd_id>
T0016

> <smiles>
COc1cc(O)c(cc1)C(=O)c1ccc(C)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Mexenone,1641-17-4,1641174,Uvistat,2-Hydroxy-4-methoxy-4'-methylbenzophenone,2Hydroxy4methoxy4'methylbenzophenone,(2-Hydroxy-4-methoxyphenyl)(4-methylphenyl)methanone,(2Hydroxy4methoxyphenyl)(4methyl
phenyl)methanone,MEXENEONE,UNII-ET1UGF4A0B,UNIIET1UGF4A0B,"Benzophenone 10",(2-hydroxy-4-methoxyphenyl)(p-tolyl)methanone,(2hydroxy4methoxyphenyl)(ptolyl)methanone,Methanone,(2-hydroxy-4-methoxyph,(2h
ydroxy4methoxyph,T0016}

> <pdid>
PD000141

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{71645}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8988    3.7512    0.0000 Cl  0  0
   -1.3010    3.7516    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12789

> <plate>
PLATE 023

> <well>
H9

> <supplier_cmpd_name>
Halazone

> <ctcr_id>
1830

> <supplier_cmpd_id>
T0037

> <smiles>
OC(=O)c1ccc(cc1)[S](=O)(=O)N(Cl)Cl

> <pd_targets>
{ALDH1A1,KMT2A}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Oxidoreductase,Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Biological oxidations","RNA Polymerase II Transcription","Phase I - Functionalization of compounds","Generic Transcription Pathway","Ethanol oxidation","
Transcriptional regulation by RUNX1","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{NSC-60717,NSC60717,halazone,80-13-7,80137,Halazon,Pantocid,Cloritines,"4-(Dichlorosulfamoyl)benzoic Acid","4(Dichlorosulfamoyl)benzoic Acid",Pantocide,Pantosid,Pantotsid,Pentocid,Zeptabs,"p-Sulfondic
hloramidobenzoic acid","pSulfondichloramidobenzoic acid","4-(N,N-Dichlorosulfamoyl)benzoic acid","4(N,NDichlorosulfamoyl)benzoic acid",p-Carboxybenzenesulfondichloroamid,pCarboxybenzenesulfondichloroa
mid,T0037,1500324,Halazone,HALAZONE}

> <pdid>
PD002313

> <targets>
{Bacterial,Carbonic Anhydrase,Sodium Channel}

> <classes>
{antiinfectant,Anti-infection,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease}

> <pubchem_cids>
{3552}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12790

> <plate>
PLATE 023

> <well>
H10

> <supplier_cmpd_name>
Vanatone

> <ctcr_id>
11320

> <supplier_cmpd_id>
T0021

> <smiles>
CCC(=O)c1ccc(O)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"gonadotropin inhibitor"}

> <synonyms>
{4'-Hydroxypropiophenone,4'Hydroxypropiophenone,Paroxypropione,70-70-2,70702,4-Hydroxypropiophenone,4Hydroxypropiophenone,1-(4-hydroxyphenyl)propan-1-one,1(4hydroxyphenyl)propan1one,Mepal,p-Hydroxypro
piophenone,pHydroxypropiophenone,Paroxypropion,Frenantol,Frenohypon,Profenone,Proxiphenon,Paroxon,p-Propiophenol,pPropiophenol,p-Propionylphenol,pPropionylphenol,1-Propanone,1Propanone,1-(,1(,T0021,Va
natone}

> <pdid>
PD000168

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{6271}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  3
    0.0000    3.0000    0.0000 O   0  5
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
M  CHG  2   6   1   7  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12791

> <plate>
PLATE 023

> <well>
H11

> <supplier_cmpd_name>
Oxiniacic Acid

> <ctcr_id>
11321

> <supplier_cmpd_id>
T0067

> <smiles>
OC(=O)c1c[n+]([O-])ccc1

> <pd_targets>
{KMT2A,MEN1}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"Nicotinic acid N-oxide","Nicotinic acid Noxide","Oxiniacic acid",2398-81-4,2398814,"Nicotinic acid 1-oxide","Nicotinic acid 1oxide","3-Pyridinecarboxylic acid, 1-oxide","3Pyridinecarboxylic acid, 1o
xide","Nicotinic acid oxide","N-Hydroxynicotinic acid","NHydroxynicotinic acid","3-Carboxypyridine N-oxide","3Carboxypyridine Noxide","1-oxidopyridin-1-ium-3-carboxylic acid","1oxidopyridin1ium3carbox
ylic acid",3-Pyr,3Pyr,T0067,"Oxiniacic Acid"}

> <pdid>
PD000169

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{16976}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11  9  0  0  0  0            999 V2000
   10.2999    1.1254    0.0000 Cl  0  5
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    1.3000    2.2500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 N   0  0
    7.7992    0.0004    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12792

> <plate>
PLATE 024

> <well>
A2

> <supplier_cmpd_name>
Carbachol

> <ctcr_id>
1858

> <supplier_cmpd_id>
T0105

> <smiles>
[Cl-].C[N+](C)(C)CCOC(N)=O

> <pd_targets>
{CHRM2,CHRM3,CHRNA10,CHRNA2,CHRNA3,CHRNA4,CHRNA5,CHRNA6,CHRNA7,CHRNA9,CHRNB2,CHRNB3,CHRNB4,AMPC,CHRM1,CHRM4,CHRM5,CHRNA1,GPM3,ACHE,TSHR,ARRB1,MLN,LMNA}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel",Enzyme,"Unclassified protein","Other nuclear protein","Family A G protein-coupled receptor","Ligand-gated ion channel",Hydrolase,"Small molecule receptor (family A G
PCR)","Nicotinic acetylcholine receptor","Peptide receptor (family A GPCR)","Monoamine receptor","Nicotinic acetylcholine receptor alpha subunit","Glycohormone receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"G protein-coupled receptors","Ligand-gated ion channels","Acetylcholine turnover","Acetylcholine receptors (muscarinic)","Nicotinic acetylcholine receptors","Glycopr
otein hormone receptors"}

> <pathway_reactome>
{"Signal Transduction","Neuronal System",Metabolism,Disease,"Cell Cycle","Signaling by GPCR","Transmission across Chemical Synapses","Metabolism of lipids","Infectious disease","Diseases of signal tra
nsduction by growth factor receptors and second messengers",Mitotic,"GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","Phospholipid metabolism","Leishmania infect
ion","Oncogenic MAPK signaling","M Phase","Class A/1 (Rhodopsin-like receptors)","Acetylcholine binding and downstream events","Glycerophospholipid biosynthesis","Leishmania parasite growth and surviv
al","Signaling by RAS mutants","Mitotic Metaphase and Anaphase","Amine ligand-binding receptors","Postsynaptic nicotinic acetylcholine receptors","Synthesis of PC","Anti-inflammatory response favourin
g Leishmania parasite infection","Signaling downstream of RAS mutants","Peptide ligand-binding receptors","Mitotic Anaphase","Muscarinic acetylcholine receptors","Highly calcium permeable postsynaptic
 nicotinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,CHRNA2}

> <broad_moa>
{"cholinergic receptor agonist"}

> <synonyms>
{carbachol,51-83-2,51832,"Carbamoylcholine chloride","Carbamylcholine chloride",Jestryl,Miostat,Carbacholine,Carbocholine,Doryl,"Isopto Carbachol","CARBACHOL CHLORIDE",Carbacholin,Carbacolina,Carbamio
tin,Carbocholin,Carbochol,Carcholin,Coletyl,Vasoperi,T0105,1500158,Prestw-880,Carbachol,CARBACHOL}

> <pdid>
PD013195

> <targets>
{}

> <classes>
{miotic,cholinergic}

> <pubchem_cids>
{5831,521353,53627818}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  1  0            999 V2000
   11.6915   -3.7599    0.0000 C   0  0
   10.3939   -3.0073    0.0000 C   0  0  2  0  0  0
    9.0934   -3.7547    0.0000 C   0  0
    7.7958   -3.0021    0.0000 C   0  0
    7.7988   -1.5020    0.0000 N   0  0
    9.0994   -0.7547    0.0000 C   0  0  2  0  0  0
   10.3969   -1.5073    0.0000 C   0  0
    9.0993    0.7461    0.0000 C   0  0
   10.3986    1.4958    0.0000 O   0  0
    7.8007    1.4969    0.0000 O   0  0
    6.4990   -0.7516    0.0000 C   0  0
    6.4994    0.7484    0.0000 O   0  0
    5.1988   -1.5013    0.0000 C   0  0  2  0  0  0
    5.1953   -3.0021    0.0000 C   0  0
    3.8942   -3.7503    0.0000 C   0  0
    3.8907   -5.2511    0.0000 C   0  0
    2.5897   -5.9993    0.0000 N   0  0
    2.5862   -7.5001    0.0000 C   0  0
    3.8837   -8.2528    0.0000 N   0  0
    1.2858   -8.2479    0.0000 N   0  0
    3.8990   -0.7508    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8975   -2.2510    0.0000 O   0  0
    2.5983   -3.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  6  8  1  1
  8  9  1  0
  8 10  2  0
  5 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 13 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  2  0
 22 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 25  1  0
 35 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12793

> <plate>
PLATE 024

> <well>
A3

> <supplier_cmpd_name>
Argatroban

> <ctcr_id>
5011

> <supplier_cmpd_id>
T0155

> <smiles>
C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)N[S](=O)(=O)c2cccc3CC(C)CNc23

> <pd_targets>
{F2,PRSS1,PLAT,F10,PRSS2,PRSS3,LMNA}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Protease,"Serine protease","Serine protease PA clan","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PA: Serine (S) Peptidases","S1: Chymotrypsin"}

> <pathway_reactome>
{Disease,Metabolism,"Signal Transduction","Cell Cycle","Diseases of hemostasis","Metabolism of vitamins and cofactors","Signaling by Receptor Tyrosine Kinases",Mitotic,"Defects of contact activation s
ystem (CAS) and kallikrein/kinin system (KKS)","Metabolism of water-soluble vitamins and cofactors","Signaling by PDGF","M Phase","Defective factor VIII causes hemophilia A","Cobalamin (Cbl","vitamin 
B12) transport and metabolism","Defective factor IX causes hemophilia B","Mitotic Metaphase and Anaphase","Defective F8 cleavage by thrombin","Defective F9 variant does not activate FX","Mitotic Anaph
ase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{F2}

> <broad_moa>
{"thrombin inhibitor"}

> <synonyms>
{argatroban,74863-84-6,74863846,"Argatroban anhydrous",MCI-9038,MCI9038,MD-805,MD805,"Argatroban hydrate",GN-1600,GN1600,C23H36N6O5S,"Argatroban Injection",DK-7419,DK7419,CHEMBL1166,"74863-84-6 (anhyd
rous)","74863846 (anhydrous)","Argatroban In Sodium Chloride","Argatroban (INN:JAN)",Argatrobanum,Arga,T0155,SAM001246661,Prestw-1228,Argatroban,CPD000466348}

> <pdid>
PD003142

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{92722}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    3.8912   -5.2570    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12794

> <plate>
PLATE 024

> <well>
A4

> <supplier_cmpd_name>
Levodropropizine

> <ctcr_id>
7863

> <supplier_cmpd_id>
T0217

> <smiles>
OC[C@H](O)CN1CCN(CC1)c2ccccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{antitussive}

> <synonyms>
{+)DROPROPIZIN,(+)-Dropropizine,(+)Dropropizine,"(R)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol","(R)3(4Phenylpiperazin1yl)propane1,2diol",99291-24-4,99291244,UNII-FS5K818KA7,UNIIFS5K818KA7,"(2R)-3-(4
-phenylpiperazin-1-yl)propane-1,2-diol","(2R)3(4phenylpiperazin1yl)propane1,2diol","Dropropizine S-form","Dropropizine Sform",FS5K818KA7,Levdropropizina,"Levdropropizina (Latin,Spanish)","BRN 3592398"
,S4131,Levodropropizine}

> <pdid>
PD001510

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{688451}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  6  0  0  0  0            999 V2000
   11.4000    0.3750    0.0000 Na  0  3
    8.9000    0.3750    0.0000 Na  0  3
    6.4000    0.3750    0.0000 Na  0  3
    1.3000    2.2500    0.0000 O   0  5
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 P   0  0
    3.8989   -0.7502    0.0000 O   0  5
    2.6000   -1.5000    0.0000 O   0  5
    3.8993    0.7496    0.0000 O   0  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  2  0
M  CHG  6   1   1   2   1   3   1   4  -1   8  -1   9  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12795

> <plate>
PLATE 024

> <well>
A5

> <supplier_cmpd_name>
Foscarnet sodium

> <ctcr_id>
2415

> <supplier_cmpd_id>
T0220

> <smiles>
[Na+].[Na+].[Na+].[O-]C(=O)[P]([O-])([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Foscarnet (sodium)",HY-B1318,HYB1318,NCGC00168467-01,NCGC0016846701,CS-0013080,CS0013080,"FOSCARNET SODIUM",63585-09-1,63585091,Foscavir,Triapten,"Trisodium carboxyphosphate","Trisodium phosphonofor
mate","Foscarnet sodique","Foscarneto sodico","Foscarnetum natricum",Foscarnet,T0220,1502019,"Foscarnet sodium"}

> <pdid>

> <targets>
{}

> <classes>
{antiviral}

> <pubchem_cids>
{4488958,44561}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  3
   -2.5981   -1.5000    0.0000 O   0  5
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  3  1  0
M  CHG  2   7   1   8  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12796

> <plate>
PLATE 024

> <well>
A6

> <supplier_cmpd_name>
Mepiroxol

> <ctcr_id>
6643

> <supplier_cmpd_id>
T0257

> <smiles>
OCc1ccc[n+]([O-])c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Mepiroxol,6968-72-5,6968725,Lysateril,Mepyroxol,"3-Pyridylcarbinol N-oxide","3Pyridylcarbinol Noxide","3-Pyridinemethanol N-oxide","3Pyridinemethanol Noxide","3-Pyridinemethanol 1-oxide","3Pyridineme
thanol 1oxide","3-(Hydroxymethyl)pyridine 1-oxide","3(Hydroxymethyl)pyridine 1oxide",UNII-BR2Z22465M,UNIIBR2Z22465M,"3-(Hydroxymethyl)pyridine N-oxide","3(Hydroxymethyl)pyridine Noxide",BR2Z22465M,NCG
C00166237-01,NCGC0016623701,DSST,T0257,S4333}

> <pdid>
PD000737

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{71668}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 O   0  0
    2.5988   -1.5004    0.0000 As  0  0
    3.8975   -2.2510    0.0000 O   0  0
    3.8983   -0.7512    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  3
   -2.6030    2.9977    0.0000 O   0  5
   -3.8983    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 11 13  2  0
M  CHG  2  11   1  12  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12797

> <plate>
PLATE 024

> <well>
A7

> <supplier_cmpd_name>
Nitarsone

> <ctcr_id>
4917

> <supplier_cmpd_id>
T0303

> <smiles>
O[As](O)(=O)c1ccc(cc1)[N+]([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Nitarsone,Histostat,98-72-6,98726,"4-Nitrophenylarsonic acid","4Nitrophenylarsonic acid",Nitarson,"(4-NITROPHENYL)ARSONIC ACID","(4NITROPHENYL)ARSONIC ACID","p-Nitrophenylarsonic acid","pNitrophenyla
rsonic acid","p-Nitrobenzenearsonic acid","pNitrobenzenearsonic acid","4-Nitrobenzenearsonic acid","4Nitrobenzenearsonic acid",Hep-a-Stat,HepaStat,"Histostat 50",Nitarsonum,"(p-Nitrophenyl)arsonic aci
d","(pNitrophenyl)arsonic acid",T0303,S4413}

> <pdid>
PD000155

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{66826}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  6  6  0  0  0  0            999 V2000
    1.6317   -2.2458    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12798

> <plate>
PLATE 024

> <well>
A8

> <supplier_cmpd_name>
Aminothiazole

> <ctcr_id>
5501

> <supplier_cmpd_id>
T0495

> <smiles>
Nc1sccn1

> <pd_targets>
{TSHR,HSD17B10,NOS1,NOS2,ALDH1A1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Family A G protein-coupled receptor",Oxidoreductase,"Peptide receptor (family A GPCR)","Glycohormone receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","L-Arginine turnover","Glycoprotein hormone receptors","Nitric oxide synthases"}

> <pathway_reactome>
{Disease,Metabolism,Hemostasis,"Infectious disease","Metabolism of amino acids and derivatives","Platelet homeostasis","Biological oxidations","Leishmania infection","Branched-chain amino acid catabol
ism","Nitric oxide stimulates guanylate cyclase","Infection with Mycobacterium tuberculosis","Phase I - Functionalization of compounds","Leishmania parasite growth and survival","Response of Mtb to ph
agocytosis","Ethanol oxidation","Anti-inflammatory response favouring Leishmania parasite infection","Suppression of phagosomal maturation","ADORA2B mediated anti-inflammatory cytokines production","I
nhibition of nitric oxide production"}

> <broad_targets>
{NOS2}

> <broad_moa>
{"cyclin D inhibitor"}

> <synonyms>
{2-AMINOTHIAZOLE,2AMINOTHIAZOLE,aminothiazole,96-50-4,96504,thiazol-2-amine,thiazol2amine,2-Thiazolamine,2Thiazolamine,"1,3-Thiazol-2-amine","1,3Thiazol2amine",2-Thiazolylamine,2Thiazolylamine,Abadole
,Abadol,Basedol,2-Thiazylamine,2Thiazylamine,4-Thiazolin-2-onimine,4Thiazolin2onimine,"2-Amino-1,3-thiazole","2Amino1,3thiazole",Aminothiazol,Aminothiazolum,Aminotiazol,Thiazole,2-amino,2amino,T0495,S
4198,Aminothiazole}

> <pdid>
PD001106

> <targets>
{Others,Bacterial,Fungal,Virus Protease}

> <classes>
{Others,Anti-infection}

> <pubchem_cids>
{2155}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  7  6  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.4992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12799

> <plate>
PLATE 024

> <well>
A9

> <supplier_cmpd_name>
4-Aminobutyric acid

> <ctcr_id>
5890

> <supplier_cmpd_id>
T0508

> <smiles>
NCCCC(O)=O

> <pd_targets>
{GABBR1,GABBR2,SLC6A1,SLC6A11,SLC6A12,SLC6A13,GABRA2,GABRR1,GABRR3,GABRA3,CYP1A2,GABRB2,GABRG2,GABRA1,GABRA4,GABRA5,GABRA6,GABRB1,GABRB3,GABRD,GABRE,GABRG1,GABRG3,GABRP,GABRQ,LMNA,BLM,NPSR1,KCTD12,KCT
D16,KCTD8,THRB,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,GABRR2,HCAR1,SLC52A2}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Ion channel",Enzyme,"Other nuclear protein","Transcription factor","Epigenetic regulator","Family C G protein-coupled receptor","Electrochemical transporter","Ligand-
gated ion channel","Cytochrome P450","Family A G protein-coupled receptor","Nuclear receptor",Eraser,"Small molecule receptor (family C GPCR)","SLC superfamily of solute carriers","GABA-A receptor","C
ytochrome P450 family 1","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Histone deacetylase","Neurotransmitter receptor (family C GPCR)","SLC06 neurotransmitter transporter
 family","Cytochrome P450 family 1A","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group A","HDAC class I","GABA-B receptor","Cytochrome P450 1A1","Neuropeptide recept
or","Nuclear hormone receptor subfamily 1 group A member 2","Small molecule receptor (family A GPCR)","Carboxylic acid receptor","Hydroxycarboxylic acid receptor"}

> <pathway_chembl>
{Receptors,"Ion channels",Transporters,Enzymes,"G protein-coupled receptors","Ligand-gated ion channels","SLC superfamily of solute carriers","Cytochrome P450","Nuclear hormone receptors","GABA<sub>B<
/sub> receptors","GABA<sub>A</sub> receptors","SLC6 neurotransmitter transporter family","CYP1 family","Neuropeptide S receptor","1A. Thyroid hormone receptors","GABA transporter subfamily","Hydroxyca
rboxylic acid receptors","SLC52 family of riboflavin transporters"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Cell Cycle","DNA Repair",Disease,"Metabolism of proteins","Transmission across Chemical Synapses","Biological oxidations",Mitotic,"DNA Double-Strand Break Repair","Infec
tious disease","Post-translational protein modification","Neurotransmitter receptors and postsynaptic signal transmission","Neurotransmitter release cycle","Phase I - Functionalization of compounds","
M Phase","Homology Directed Repair","Leishmania infection",SUMOylation,"GABA receptor activation","GABA synthesis",release,"reuptake and degradation","Cytochrome P450 - arranged by substrate type","Mi
totic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","SUMO E3 ligases SUMOylate target proteins","Reupt
ake of GABA","GABA B receptor activation",Xenobiotics,"Mitotic Anaphase","HDR through Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection","SUMOylation 
of intracellular receptors","Activation of GABAB receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exc
hange","ADORA2B mediated anti-inflammatory cytokines production","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic ph
ase of homologous DNA pairing and strand exchange","Signal Transduction","Signaling by GPCR","Metabolism of vitamins and cofactors","GPCR ligand binding","Metabolism of water-soluble vitamins and cofa
ctors","Class A/1 (Rhodopsin-like receptors)","Vitamin B2 (riboflavin) metabolism","Hydroxycarboxylic acid-binding receptors"}

> <broad_targets>
{GABBR1,GABBR2,GABRA1,GABRA2,GABRA3,GABRA5,GABRB2,GABRG2,GATM,KCTD12,KCTD16,KCTD8,SLC6A1}

> <broad_moa>
{"benzodiazepine receptor agonist"}

> <synonyms>
{"AMMAAMINOBUTYRIC ACI","4-aminobutyric acid","4aminobutyric acid","4-Aminobutanoic acid","4Aminobutanoic acid","gamma-aminobutyric acid","gammaaminobutyric acid",GABA,56-12-2,56122,"Piperidic acid","
Piperidinic acid",Aminalon,"butanoic acid, 4-amino-","butanoic acid, 4amino",Gaballon,Gammalon,Mielogen,Gammalone,Mielomade,Gamarex,Gammasol,Gammar,Rea,T0508,1500678,"4-Aminobutyric acid","gamma-AMINO
BUTYRIC ACID"}

> <pdid>
PD002827

> <targets>
{}

> <classes>
{antihypertensive}

> <pubchem_cids>
{119,6992099}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 13  0  0  0  0            999 V2000
    8.9990   -1.1267    0.0000 Na  0  3
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 Hg  0  0
    2.6003   -1.4977    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  5
   -1.3032   -3.7490    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
M  CHG  2   1   1  13  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12800

> <plate>
PLATE 024

> <well>
A10

> <supplier_cmpd_name>
Thimerosal

> <ctcr_id>
6859

> <supplier_cmpd_id>
T0521

> <smiles>
[Na+].CC[Hg]Sc1ccccc1C([O-])=O

> <pd_targets>
{MTR,SLC7A11,FXYD2}

> <pathway_gtopdb>
{Enzyme,Transporter,Transferase,"Electrochemical transporter","SLC superfamily of solute carriers","SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)","SLC07 Cationic amino acid t
ransporter/glycoprotein-associated family"}

> <pathway_chembl>
{Enzymes,Transporters,"Methionine turnover","SLC superfamily of solute carriers","P-type ATPases","SLC3 and SLC7 families of heteromeric amino acid transporters (HATs)","P2C P-type ATPases","SLC7 fami
ly",Na<sup>+</sup>/K<sup>+</sup>-ATPases}

> <pathway_reactome>
{Disease,"Transport of small molecules","Diseases of metabolism","SLC-mediated transmembrane transport","Infectious disease","Defects in vitamin and cofactor metabolism","Transport of inorganic cation
s/anions and amino acids/oligopeptides","SARS-CoV Infections","Defects in cobalamin (B12) metabolism","Amino acid transport across the plasma membrane","Potential therapeutics for SARS","Defective MTR
 causes methylmalonic aciduria and homocystinuria type cblG"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{thimerosal,Thiomersal,54-64-8,54648,Thiomersalate,Mercurothiolate,"Sodium merthiolate",MERTHIOLATE,"Sodium ethylmercurithiosalicylate","Ethylmercurithiosalicylate sodium","Ethylmercurithiosalicylic a
cid sodium salt",Thiomersalum,Tiomersal,Ethyl(2-me,Ethyl(2me,T0521,1500572,Prestw-1194,Thimerosal,THIMEROSAL}

> <pdid>
PD001732

> <targets>
{}

> <classes>
{preservative,antiinfective}

> <pubchem_cids>
{2723633,16684434,5908}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
 11  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12801

> <plate>
PLATE 024

> <well>
A11

> <supplier_cmpd_name>
Protocatechuic acid

> <ctcr_id>
508

> <supplier_cmpd_id>
T0562

> <smiles>
OC(=O)c1ccc(O)c(O)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"3,4-DIHYDROXYBENZOIC ACID","3,4DIHYDROXYBENZOIC ACID","protocatechuic acid",99-50-3,99503,"Protocatehuic acid","4-Carboxy-1,2-dihydroxybenzene","4Carboxy1,2dihydroxybenzene",protocatechuate,"Benzoic
 acid, 3,4-dihydroxy-","Benzoic acid, 3,4dihydroxy","4,5-Dihydroxybenzoic acid","4,5Dihydroxybenzoic acid",MFCD00002509,UNII-36R5QJ8L4B,UNII36R5QJ8L4B,"Catechol-4-carboxylic Acid","Catechol4carboxylic
 Acid",T0562,NSC16631,"NSC 16631","Protocatechuic acid","3,4-Dihydroxybenzoic acid"}

> <pdid>
PD006619

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{72}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    0.4297   -3.2479    0.0000 C   0  0
    1.2948   -3.7495    0.0000 C   0  0
    1.2916   -5.2495    0.0000 O   0  0
    2.5957   -3.0011    0.0000 C   0  0
    2.5990   -1.5003    0.0000 C   0  0
    3.8990   -0.7504    0.0000 C   0  0
    3.9040    0.7496    0.0000 C   0  0
    5.2054    1.4954    0.0000 C   0  0
    6.5020    0.7412    0.0000 C   0  0
    6.4972   -0.7588    0.0000 C   0  0
    5.1957   -1.5046    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -2.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  5 12  1  0
 12 13  2  3
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 22 12  1  0
 22 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12802

> <plate>
PLATE 024

> <well>
B2

> <supplier_cmpd_name>
Warfarin sodium

> <ctcr_id>
6328

> <supplier_cmpd_id>
T0815L

> <smiles>
CC(=O)CC(c1ccccc1)C2=C(O)c3ccccc3OC2=O

> <pd_targets>
{ALB,PCSK7,CYP2C9,HSD17B10,AMPC,KDM4E,ALD,ALDH1A1,VKORC1,KMT2A,MEN1}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,"Epigenetic regulator",Protease,"Cytochrome P450",Oxidoreductase,Hydrolase,Eraser,"Serine protease","Cytochrome P450 family 2","Lysine demethylase","Serine protease SB clan"
,"Cytochrome P450 family 2C","Jumonji domain-containing","Serine protease S8B subfamily","Cytochrome P450 2C9",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","Cytochrome P450","Chromatin modifying enzymes","1.-.-.- Oxidoreductases","SB: Serine (S) Peptidases","CYP2 family: drug metabolising subset","1.14.11.- Histone d
emethylases","S8: Subtilisin"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biological oxidations","Metabolism of amino acids and derivatives","Metabolism of vitamins and cofactors","Metabolism of steroids","Phase I - Functionalization of c
ompounds","Branched-chain amino acid catabolism","Metabolism of fat-soluble vitamins","Bile acid and bile salt metabolism","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Metabolis
m of vitamin K","Recycling of bile acids and salts",Xenobiotics,"CYP2E1 reactions"}

> <broad_targets>
{VKORC1}

> <broad_moa>
{"vitamin K antagonist"}

> <synonyms>
{RESTW136,warfarin,Coumadin,81-81-2,81812,Coumafen,Coumafene,Prothromadin,Zoocoumarin,"Vampirinip II",Coumarins,Coumefene,Panwarfin,Warfarine,Brumolin,Dethmor,Dethnel,Kumader,Kypfarin,Maveran,Solfarin
,Kumadu,Rosex,Athrombine-K,AthrombineK,Frass-Ratron,FrassRatron,Mar-Frin,MarFrin,Rattentrae,T0815,T0815L,1500613,Prestw-1363,Warfarin,"Warfarin sodium",WARFARIN}

> <pdid>
PD001720

> <targets>
{}

> <classes>
{rodenticide,anticoagulant}

> <pubchem_cids>
{54678486}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 62 69  0  0  0  0            999 V2000
    3.8794    3.7535    0.0000 O   0  0
    5.1821    3.0099    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8978   -0.7496    0.0000 C   0  0
   -5.1981   -1.4975    0.0000 C   0  0
   -5.2005   -2.9975    0.0000 C   0  0
   -6.5007   -3.7455    0.0000 C   0  0
   -7.7985   -2.9934    0.0000 C   0  0
   -7.7962   -1.4934    0.0000 C   0  0
   -9.0963   -0.7436    0.0000 O   0  0
  -10.3962   -1.4938    0.0000 C   0  0
  -10.3934   -2.9939    0.0000 O   0  0
  -11.6911   -3.7463    0.0000 C   0  0
  -11.6852   -5.2471    0.0000 C   0  0
  -10.3837   -5.9929    0.0000 O   0  0
  -12.9915   -2.9987    0.0000 C   0  0
  -14.2891   -3.7512    0.0000 O   0  0
  -12.9943   -1.4987    0.0000 C   0  0
  -14.2947   -0.7512    0.0000 O   0  0
  -11.6967   -0.7463    0.0000 C   0  0
  -11.6995    0.7537    0.0000 O   0  0
   -6.4959   -0.7455    0.0000 C   0  0
   -6.4936    0.7545    0.0000 C   0  0
   -7.7914    1.5066    0.0000 O   0  0
   -5.1933    1.5025    0.0000 C   0  0
   -5.1910    3.0025    0.0000 C   0  0
   -6.4888    3.7545    0.0000 O   0  0
   -3.8907    3.7504    0.0000 C   0  0
   -2.5929    2.9983    0.0000 C   0  0
   -2.5953    1.4984    0.0000 C   0  0
   -3.8955    0.7504    0.0000 C   0  0
   -1.2904    3.7440    0.0000 C   0  0
   -1.2854    5.2440    0.0000 O   0  0
    0.0064    2.9901    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1953   -6.0031    0.0000 C   0  0
   -6.4956   -5.2554    0.0000 O   0  0
   -5.1932   -7.5031    0.0000 O   0  0
    5.2007   -1.4909    0.0000 C   0  0
    5.2059   -2.9909    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.7988   -1.4819    0.0000 O   0  0
    6.4920    0.7636    0.0000 C   0  0
    7.7884    1.5180    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 20  1  0
 29 30  1  0
 18 31  2  0
 31 14  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 13  1  0
 40 34  1  0
 38 41  1  0
 41 42  1  0
 41 43  2  0
 12 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  1  0
 48 50  2  0
 50 44  1  0
 50 51  1  0
 51 52  2  0
 51 53  1  0
 53  7  1  0
 53 11  2  0
 46 54  1  0
 54 55  1  0
 54 56  2  0
  5 57  1  0
 57 58  1  0
 57 59  1  0
 59 60  1  0
 59 61  1  0
 61  3  1  0
 61 62  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12803

> <plate>
PLATE 024

> <well>
B3

> <supplier_cmpd_name>
Sennoside A

> <ctcr_id>
5312

> <supplier_cmpd_id>
T0966

> <smiles>
OCC1OC(Oc2cccc3C(C4c5cccc(OC6OC(CO)C(O)C(O)C6O)c5C(=O)c7c(O)cc(cc47)C(O)=O)c8cc(cc(O)c8C(=O)c23)C(O)=O)C(O)C(O)C1O

> <pd_targets>
{AQP3,POL,REP,SERPINE1,USP2,HKDC1,L3MBTL1,TDP1,KDM4A}

> <pathway_gtopdb>
{Enzyme,Hydrolase,"Secreted protein",Transferase,"Epigenetic regulator",Protease,Reader,Eraser,"Cysteine protease","Methyl-lysine/arginine binding protein","Lysine demethylase","Cysteine protease CA c
lan","MBT domain","Jumonji domain-containing","Cysteine protease C19 family"}

> <pathway_chembl>
{"Ion channels","Other ion channels",Aquaporins,"Other protein targets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins",Enzymes,"Peptidases and proteinases","Chromatin mo
difying enzymes","CA: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Transport of small molecules","Aquaporin-mediated transport","Passive transport by Aquaporins",Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-
CoV Infections","Generic Transcription Pathway","SARS-CoV-2 Infection","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","SARS-CoV-2 Genome Replication and Transcription","SMAD2/SMAD3:SMAD4
 heterotrimer regulates transcription","Replication of the SARS-CoV-2 genome","DNA Repair","DNA Double-Strand Break Repair","Nonhomologous End-Joining (NHEJ)","DNA Double Strand Break Response","Trans
criptional Regulation by TP53","Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks","Regulation of TP53 Activity","Regulation of TP53 Expression 
and Degradation","Regulation of TP53 Activity through Methylation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Sennosides,Sennaglucosides,"Sennoside A&B",517-43-1,517431,Senna-lax,Sennalax,"Sennoside (JAN)","Sennosides A and B",SENNA,"EINECS 208-238-9","EINECS 2082389",SennosideA,"Senna glycosides",NSC112929,
NSC112930,"Sennoside A1 , HPLC Grade",CHEMBL54481,"SENNOSIDES, USP STANDARD",S,S4033,S4018,"Sennoside A","Sennoside B"}

> <pdid>
PD000748

> <targets>
{PDGFR,Others}

> <classes>
{}

> <pubchem_cids>
{5199}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5987    1.5004    0.0000 C   0  0  2  0  0  0
    2.7389    2.9803    0.0000 C   0  0
    4.2066    3.2901    0.0000 C   0  0
    4.9545    1.9908    0.0000 C   0  0
    6.4461    1.8320    0.0000 O   0  0
    3.9492    0.8775    0.0000 O   0  0
    4.6721    4.7160    0.0000 C   0  0
    3.6700    5.8321    0.0000 C   0  0
    2.2024    5.5224    0.0000 C   0  0
    1.7368    4.0964    0.0000 C   0  0
    4.1329    7.2598    0.0000 O   0  0
    3.1292    8.3745    0.0000 C   0  0
    6.1400    5.0289    0.0000 O   0  0
    6.6035    6.4555    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  3
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
    3.8963   -0.7469    0.0000 O   0  0
    3.8949    0.2531    0.0000 C   0  0
    3.7124   -4.0030    0.0000 O   0  0
    3.1023   -5.3733    0.0000 C   0  0
    1.6105   -5.2165    0.0000 O   0  0
    0.0000    3.0000    0.0000 C   0  0
    9.1038    1.5009    0.0000 Cl  0  5
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  3  8  1  6
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  4  1  0
 10 13  1  0
 13 14  1  0
  9 15  1  0
 15 16  1  0
  2 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20  1  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24  1  1  0
 24 25  1  0
 25 26  1  0
 23 27  1  0
 27 28  1  0
 28 29  1  0
 29 22  1  0
 17 30  1  0
M  CHG  2  17   1  31  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12804

> <plate>
PLATE 024

> <well>
B4

> <supplier_cmpd_name>
Noscapine hydrochloride

> <ctcr_id>
11322

> <supplier_cmpd_id>
T0981

> <smiles>
c12[C@H]([C@@H]3c4c(C(=O)O3)c(c(cc4)OC)OC)[NH+](CCc2cc2c(c1OC)OCO2)C.[Cl-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Noscapine hydrochloride",912-60-7,912607,UNII-TTN62ITH9I,UNIITTN62ITH9I,TTN62ITH9I,Teletux,Tucotine,Stilco,"Lyobex retard","Difmetus Kapseln","Tussicure P","Germose Noscapine","Opian hydrochloride",
"Vadebex hydrochloride","Coscopin hydrochloride",Ne,T0981}

> <pdid>

> <targets>
{"Opioid alkaloid"}

> <classes>
{Endocrinology/Hormones,"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{442329}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12805

> <plate>
PLATE 024

> <well>
B5

> <supplier_cmpd_name>
Propoxur

> <ctcr_id>
5426

> <supplier_cmpd_id>
T0976

> <smiles>
CNC(=O)Oc1ccccc1OC(C)C

> <pd_targets>
{ACE,ACHE,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,Hydrolase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Acetylcholine turnover"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biological oxidations","Phospholipid metabolism","Phase I - Functionalization of compounds","Glycerophospholipid biosynthesis","Ethanol oxidation","Synthesis of PC"
}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{propoxur,114-26-1,114261,Baygon,Aprocarb,"2-Isopropoxyphenyl methylcarbamate","2Isopropoxyphenyl methylcarbamate",Propoxure,Sendran,"2-Isopropoxyphenyl N-methylcarbamate","2Isopropoxyphenyl Nmethylca
rbamate",Propoxylor,Blattanex,Blattosep,Mrowkozol,Propotox,Suncide,Bolfo,Boruho,Brygou,"Dalf dust",Invisi-Gard,InvisiGard,Arprocarb,Isocar,T0976,330066,Propoxur,PROPOXUR}

> <pdid>
PD001931

> <targets>
{}

> <classes>
{insecticide}

> <pubchem_cids>
{4944}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 P   0  0
    3.8964    0.7545    0.0000 S   0  0
    5.2216    0.0237    0.0000 O   0  0
    5.2178    1.5245    0.0000 C   0  0
    6.5144    2.2787    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 10  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12806

> <plate>
PLATE 024

> <well>
B6

> <supplier_cmpd_name>
Clorpyrifos

> <ctcr_id>
11323

> <supplier_cmpd_id>
T0995

> <smiles>
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl

> <pd_targets>
{TDP1,ALDH1A1,ALOX15,TSHR,MAPT,ACE,ALOX12,ATM,FFP,CYP3A4,ACHE,LEF,HSD17B10,MGLL,FAAH,CNR1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein",Hydrolase,Oxidoreductase,"Family A G protein-coupled receptor",Kinase,Transferase,"Cytochrome P450",Protease,"Peptide receptor (family A GPCR)","P
rotein Kinase","Cytochrome P450 family 3","Metallo protease","Glycohormone receptor","Atypical protein kinase group","Cytochrome P450 family 3A","Metallo protease MAE clan","Atypical protein kinase PI
KK family","Cytochrome P450 3A4","Metallo protease M34 family","Small molecule receptor (family A GPCR)","Lipid-like ligand receptor (family A GPCR)","Cannabinoid receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Cytochrome P450",Lipoxygenases,"Glycoprotein hormone receptors",Atypical,"CYP3 family","Phosphatidyl inos
itol 3' kinase-related kinases (PIKK) family","Other PIKK family kinases","Peptidases and proteinases","Endocannabinoid turnover","Acetylcholine turnover","SC: Serine (S) Peptidases","<i>N</i>-Acyleth
anolamine turnover","Cannabinoid receptors","S33: Prolyl aminopeptidase"}

> <pathway_reactome>
{"DNA Repair",Metabolism,Disease,"Neuronal System","Cell Cycle","DNA Double-Strand Break Repair","Biological oxidations","Metabolism of lipids","Infectious disease","Transmission across Chemical Synap
ses","Cell Cycle Checkpoints","Metabolism of amino acids and derivatives","Nonhomologous End-Joining (NHEJ)","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediat
ors (SPMs)","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Uptake and actions of bacterial toxins","Branched-chain amino acid c
atabolism","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","p53-Dependent G1/S DNA damage checkp
oint","Biosynthesis of DHA-derived SPMs","Uptake and function of anthrax toxins","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor 
activation events","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflammatory cytokines production"
,"Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived maresins","Stabilization of p53","Biosynthesis of maresin-like SPMs","Autodegradation of the E3 ubiquitin ligase COP1","Signa
l Transduction","Signaling by GPCR","Phospholipid metabolism","Fatty acid metabolism","GPCR downstream signalling","Glycerophospholipid biosynthesis","Arachidonic acid metabolism","G alpha (i) signall
ing events","Acyl chain remodeling of DAG and TAG","Synthesis of PC"}

> <broad_targets>
{ACHE}

> <broad_moa>
{"acetylcholinesterase inhibitor"}

> <synonyms>
{chlorpyrifos,2921-88-2,2921882,Chlorpyriphos,Dursban,Lorsban,Trichlorpyrphos,Brodan,Chlorpyrifos-ethyl,Chlorpyrifosethyl,Piridane,Coroban,Equity,Lentrek,Pyrinex,Stipend,Lock-On,LockOn,Killmaster,Boni
del,Danusban,Geodinfos,Spannit,Tafaban,"Dowco 179",Durmet,Radar,Terial,Zidil,T0995,Clorpyrifos}

> <pdid>
PD001934

> <targets>
{AChR}

> <classes>
{Neuroscience}

> <pubchem_cids>
{2730}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 25  0  0  0  0            999 V2000
   10.1943   -2.7559    0.0000 H   0  3
    7.6943   -2.7559    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 S   0  0
    5.1937   -3.0093    0.0000 O   0  0
    5.1912   -4.5090    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.6234   -3.0602    0.0000 C   0  0
   -4.9781   -4.5176    0.0000 C   0  0
   -3.8933   -5.5536    0.0000 N   0  0
   -4.2480   -7.0110    0.0000 C   0  0
   -2.4537   -5.1320    0.0000 C   0  0
   -2.0990   -3.6745    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 17  1  0
 16 24  1  0
 24 13  1  0
 24 25  2  0
 25 10  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12807

> <plate>
PLATE 024

> <well>
B7

> <supplier_cmpd_name>
Perindopril erbumine

> <ctcr_id>
1837

> <supplier_cmpd_id>
T1484L

> <smiles>
[H+].[Cl-].CN[S](=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1

> <pd_targets>
{HTR1B,HTR1D,HTR1F,HTR1A,HTR1E}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Serotonin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Serotonin receptors"}

> <broad_targets>
{HTR1A,HTR1B,HTR1D,HTR1E,HTR1F}

> <broad_moa>
{"serotonin receptor agonist"}

> <synonyms>
{"NARATRIPTAN HYDROCHLORIDE",143388-64-1,143388641,Amerge,"Naratriptan HCl",Naramig,GR-85548A,GR85548A,"GR 85548A","Naratriptan (hydrochloride)",UNII-10X8X4P12Z,UNII10X8X4P12Z,"GR-85548A hydrochloride
","GR85548A hydrochloride",10X8X4P12Z,MFCD08141821,DSSTox_CID_28990,DSSToxCID28990,DSSTox-CID-28990,"DSSTox CID 28990",DSSTox_RID_83255,DSSToxRID83255,DSSTox-RID-83255,"DSSTox RID 83255",DSSTox_GSID_4
9064,DSSToxGSID49064,DSSTox-GSID-49064,"DSSTox GSID 49064",CHEBI:,T6602,S1488,S1506,Naratriptan,Naratriptan,"Perindopril Erbumine"}

> <pdid>
PD009622

> <targets>
{"5-HT Receptor",RAAS}

> <classes>
{"Endocrinology & Hormones","Neuronal Signaling"}

> <pubchem_cids>
{60875,25137850}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 12  0  0  0  0            999 V2000
    7.5973   -0.0013    0.0000 H   0  3
    5.0973   -0.0013    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 N   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 11 13  2  0
 11 14  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12808

> <plate>
PLATE 024

> <well>
B8

> <supplier_cmpd_name>
Mafenide hydrochloride

> <ctcr_id>
5132

> <supplier_cmpd_id>
T1026

> <smiles>
[H+].[Cl-].NCc1ccc(cc1)[S](N)(=O)=O

> <pd_targets>
{KDM4E,TGR,CA2,CA1,MAPT,CA9,CA4,CA14,NCE103,MTCA1,MTCA2,CA5A,CA6,CA12,CA13,CA5B,1272966,CYNT,CA7,CA15,FOLP}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other cytosolic protein",Eraser,Lyase,Transferase,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Carbonic anhydrases","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Transport of small molecules","Immune System","Neuronal System","Cellular responses to external stimuli",Metabolism,"O2/CO2 exchange in erythrocytes","Cytokine Signaling in Immune system","Transmiss
ion across Chemical Synapses","Cellular responses to stress","Reversible hydration of carbon dioxide","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins","Neurotransmi
tter receptors and postsynaptic signal transmission","Cellular response to hypoxia","Interleukin-12 family signaling","Activation of NMDA receptors and postsynaptic events","Regulation of gene express
ion by Hypoxia-inducible Factor","Interleukin-12 signaling","Post NMDA receptor activation events","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Activation of A
MPK downstream of NMDARs"}

> <broad_targets>
{CA12,CA14,CA2,CA4,CA6,CA9}

> <broad_moa>
{"carbonic anhydrase inhibitor"}

> <synonyms>
{RESTW16,"4-(aminomethyl)benzenesulfonamide, chloride","4(aminomethyl)benzenesulfonamide, chloride",SBB059851,AKOS023093332,MCULE-3873724782,MCULE3873724782,ST51046115,"Mafenide hydrochloride",138-37-
4,138374,"4-Aminomethylbenzenesulfonamide hydrochloride","4Aminomethylbenzenesulfonamide hydrochloride","4-(Aminomethyl)benzenesulfonamide hydrochloride","4(Aminomethyl)benzenesulfonamide hydrochlorid
e",Marfanil,Masud,1500372,Prestw-166,"MAFENIDE HYDROCHLORIDE"}

> <pdid>
PD009223

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{43833473,67313,21966514}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    7.7904    6.0072    0.0000 Cl  0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  5  7  1  0
  7  8  2  3
  8  2  1  0
  3  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  3
 15 16  1  0
 15 17  1  0
 17 18  2  3
 18 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12809

> <plate>
PLATE 024

> <well>
B9

> <supplier_cmpd_name>
Salifungin

> <ctcr_id>
11325

> <supplier_cmpd_id>
T1043

> <smiles>
OC1=C(C=C(Br)C=C1)C(=O)NC1=CC=C(Cl)C=C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{5-Bromo-4'-chlorosalicylanilide,5Bromo4'chlorosalicylanilide,3679-64-9,3679649,Salifungin,Bromochlorosalicylanilide,Multifungin,5-Bromo-N-(4-chlorophenyl)-2-hydroxybenzamide,5BromoN(4chlorophenyl)2hy
droxybenzamide,Salifungen,Bromosalicylchloranilide,5-Bromosalicyl-4-chloroanilide,5Bromosalicyl4chloroanilide,Benzamide,5-bromo-N-(4-chlorophenyl)-2,5bromoN(4chlorophenyl)2,T1043}

> <pdid>
PD052335

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{77254}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 22  0  0  1  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0  2  0  0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.2982   -0.0037    0.0000 O   0  0
   10.2982   -1.5037    0.0000 C   0  0  2  0  0  0
    8.9982   -2.2537    0.0000 C   0  0  1  0  0  0
    8.9982   -3.7537    0.0000 O   0  0
    7.6982   -1.5037    0.0000 C   0  0
    7.6982   -0.0037    0.0000 O   0  0
    6.3990   -2.2533    0.0000 O   0  0
   11.5982   -2.2537    0.0000 C   0  0
   11.5982   -3.7537    0.0000 O   0  0
   12.8975   -1.5041    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 18 20  2  0
 15 21  1  0
 21 22  1  0
 21 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12810

> <plate>
PLATE 024

> <well>
B10

> <supplier_cmpd_name>
Epinephrine bitartrate

> <ctcr_id>
7558

> <supplier_cmpd_id>
T1047

> <smiles>
CNC[C@H](O)c1ccc(O)c(O)c1.O[C@H]([C@@H](O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"L-Epinephrine (Bitartrate)","LEpinephrine (Bitartrate)","Epinephrine bitartrate",51-42-3,51423,"Epinephrine acid tartrate","Adrenaline bitartrate","l-Epinephrine bitartrate","lEpinephrine bitartrate
","adrenaline tartrate",UNII-30Q7KI53AK,UNII30Q7KI53AK,"l-Adrenaline bitartrate","lAdrenaline bitartrate",D02149,30Q7KI53AK,"Epinephrine hydrogen tar",S2521,"Epinephrine Bitartrate","Epinephrine Bitar
trate"}

> <pdid>

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{5815}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -3.9149    9.7490    0.0000 C   0  0
   -5.2157   10.4975    0.0000 C   0  0
   -5.2188   11.9983    0.0000 C   0  0
   -3.9211   12.7522    0.0000 C   0  0
   -3.9242   14.2522    0.0000 C   0  0
   -2.6202   12.0053    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
  5 19  2  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12811

> <plate>
PLATE 024

> <well>
B11

> <supplier_cmpd_name>
Capsaicin

> <ctcr_id>
1724

> <supplier_cmpd_id>
T1062

> <smiles>
COc1cc(CNC(=O)CCCC\C=C/C(C)C)ccc1O

> <pd_targets>
{TRPV1,HSD17B10,ALDH1A1,KCNA1,TRPV2,TRPV4,LMNA,YARS1,MAPT,PTGS1,MAPK1,CYP3A4,ALOX15,MT-ND1,KCNA7,KCNA2,RORC,ALOX5,KMT2A,MEN1,TRPM8,CYP1A2,KCNC1,CFTR,TP53,CYP2D6,CYP2C19,CYP2C9,LEF,CASP1,KDM4E,GAA}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other nuclear protein","Other cytosolic protein","Transcription factor","Epigenetic regulator","Voltage-gated ion channel",Oxidoreductase,Ligase,Kinase,"Cytochrome P450","Nuclea
r receptor",Reader,"Other ion channel","Transient receptor potential channel","Potassium channels","Protein Kinase","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1",Bromodomain,"Cytoc
hrome P450 family 1","Chloride channel","Voltage-gated potassium channel","CMGC protein kinase group","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family
 1A","Cystic fibrosis transmembrane conductance regulator","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1","CMGC p
rotein kinase ERK1",Protease,Eraser,Hydrolase,"Cytochrome P450 family 2","Cysteine protease","Metallo protease","Lysine demethylase","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Cysteine p
rotease CA clan","Metallo protease MAE clan","Cysteine protease CD clan","Jumonji domain-containing","Cytochrome P450 2D6","Cytochrome P450 2C19","Cysteine protease C1A family","Cytochrome P450 2C9","
Metallo protease M34 family","Cysteine protease C14 family"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Voltage-gated ion channels","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","Nuclear hormone receptors","Other ion channels","Transient Receptor Poten
tial channels","Potassium channels",Cyclooxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family",Lipoxygenases,"1F. Retinoic acid-related orphans","CYP1 family","Chloride channels","Vo
ltage-gated potassium channels","Mitogen-activated protein kinases (MAP kinases)",CFTR,"ERK subfamily","Peptidases and proteinases","Chromatin modifying enzymes","3.2.1.- Glycosidases","CYP2 family: d
rug metabolising subset","CD: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","C14: Caspase"}

> <pathway_reactome>
{"Transport of small molecules",Metabolism,"Neuronal System","Cell Cycle","Metabolism of proteins","Immune System","Gene expression (Transcription)",Autophagy,"Ion channel transport","Metabolism of am
ino acids and derivatives","Biological oxidations","Potassium Channels",Mitotic,Translation,"Transmission across Chemical Synapses","Metabolism of lipids","Innate Immune System","The citric acid (TCA)
 cycle and respiratory electron transport","RNA Polymerase II Transcription",Macroautophagy,"Stimuli-sensing channels","Branched-chain amino acid catabolism","Phase I - Functionalization of compounds"
,"Voltage gated Potassium channels","M Phase","tRNA Aminoacylation","Neurotransmitter receptors and postsynaptic signal transmission","Fatty acid metabolism","Toll-like Receptor Cascades","Biosynthesi
s of specialized proresolving mediators (SPMs)","Respiratory electron transport","ATP synthesis by chemiosmotic coupling","and heat production by uncoupling proteins.","Generic Transcription Pathway",
"Selective autophagy","TRP channels","Ethanol oxidation","Mitotic Metaphase and Anaphase","Cytosolic tRNA aminoacylation","Activation of NMDA receptors and postsynaptic events","Arachidonic acid metab
olism","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type",
Aggrephagy,"Mitotic Anaphase","Post NMDA receptor activation events","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","B
iosynthesis of DPAn-3 SPMs","Complex I biogenesis","RUNX3 Regulates Immune Response and Cell Migration",Xenobiotics,"Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","MAP ki
nase activation","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of DPAn-3-derived 13-series resolvins","Aromatic amines can be N-hydroxylat
ed or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated",Disease,"Cell Cycle Ch
eckpoints","Infectious disease","Diseases of metabolism","G1/S DNA Damage Checkpoints","Uptake and actions of bacterial toxins","Diseases of carbohydrate metabolism","p53-Dependent G1/S DNA damage che
ckpoint","Uptake and function of anthrax toxins","Transcriptional Regulation by TP53","Glycogen storage diseases","p53-Dependent G1 DNA Damage Response","TP53 Regulates Transcription of Cell Death Gen
es","Glycogen storage disease type II (GAA)","Stabilization of p53","CYP2E1 reactions","TP53 Regulates Transcription of Caspase Activators and Caspases","Autodegradation of the E3 ubiquitin ligase COP
1"}

> <broad_targets>
{CFTR,TRPV1}

> <broad_moa>
{"TRPV agonist"}

> <synonyms>
{Zucapsaicin,25775-90-0,25775900,Civamide,cis-Capsaicin,cisCapsaicin,(Z)-Capsaicin,(Z)Capsaicin,(Z)-N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide,(Z)N(4Hydroxy3methoxybenzyl)8methylnon6enamide,U
NII-15OX67P384,UNII15OX67P384,(Z)-N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methylnon-6-enamide,(Z)N((4hydroxy3methoxyphenyl)methyl)8methylnon6enamide,15OX67P384,"BRN 4261852",Civanex,(6Z)-N-((4-hyd,(6Z
)N((4hyd,T1109,T1062,SAM001246970,Capsaicin,CPD000449294}

> <pdid>
PD001884

> <targets>
{HSV,TRP Channel}

> <classes>
{Anti-infection,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{1548942}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  1  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0  2  0  0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12812

> <plate>
PLATE 024

> <well>
C2

> <supplier_cmpd_name>
L-Adrenaline

> <ctcr_id>
7830

> <supplier_cmpd_id>
T1071

> <smiles>
CNC[C@H](O)c1ccc(O)c(O)c1

> <pd_targets>
{TDP1,FFP,RORC,ADRA2B,ADRB3,MAPT,HTR7,ADRA1A,SLC6A2,ADRA1B,DRD2,ADRB2,KMT2A,ALD,GRK2,ADRA2C,APEX1,MEN1,ADRA2A,ADRB1,SLC22A1,PMP22,BLM,TGR,KDM4E,NPSR1,CYP2D6,THPO,ADRA1D,HIF1A,MAPK1,CYP3A4,ALDH1A1,CYP1
A2,ABCC1,RECQL,TSHR,HSD17B10,ALOX15,CHRM1,GAA,RXFP1,NFKB1,MTOR,CA1,TNF}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Membrane receptor","Other cytosolic protein",Transporter,"Epigenetic regulator","Unclassified protein",Hydrolase,Transferase,"Nuclear receptor","Family A G protein-coup
led receptor","Electrochemical transporter",Reader,Kinase,Eraser,"Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers",Bromodomain,"Prot
ein Kinase","Lysine demethylase","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","SLC06 neurotransmitter transporter family","AGC protein kinase 
group","SLC22 family of organic cation and anion transporters","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F member 3","Adrenergic 
receptor","Serotonin receptor","Dopamine receptor","AGC protein kinase GRK family","Neuropeptide receptor","AGC protein kinase BARK subfamily","Secreted protein","Cytochrome P450",Oxidoreductase,"Prim
ary active transporter",Lyase,"Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","ATP-binding cassette","Cytochrome P450 family 2D","CMGC protein kinase group","Cytochrom
e P450 family 3A","Cytochrome P450 family 1A","ABCC subfamily","Glycohormone receptor","Relaxin-like peptide receptor (family A GPCR)","Atypical protein kinase group","Cytochrome P450 2D6","CMGC prote
in kinase MAPK family","Cytochrome P450 3A4","Cytochrome P450 1A1","Acetylcholine receptor","Relaxin receptor","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase
 FRAP subfamily"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Nuclear hormone receptors","G protein-coupled receptors","SLC superfamily of solute carriers","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","1F. Retinoic acid-r
elated orphans",Adrenoceptors,"5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","Dopamine receptors","2.1.1.43 Histone methyltransferases (HMTs)","AGC: Containing PKA",PKG,"PK
C families","SLC22 family of organic cation and anion transporters","1.14.11.- Histone demethylases","Neuropeptide S receptor","Monoamine transporter subfamily","G protein-coupled receptor kinases (GR
Ks)","Organic cation transporters (OCT)","Beta-adrenergic receptor kinases (&beta;ARKs)","Cytochrome P450","ATP-binding cassette transporter family","Eicosanoid turnover","3.2.1.- Glycosidases","Carbo
nic anhydrases","CYP2 family: drug metabolising subset","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","CYP1 family","ABCC subfamily","Glycoprotein hormone receptors",Lipoxygenases,"Ace
tylcholine receptors (muscarinic)","Relaxin family peptide receptors",Atypical,"Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK su
bfamily","FRAP subfamily"}

> <pathway_reactome>
{"DNA Repair","Gene expression (Transcription)","Signal Transduction",Disease,"Neuronal System","Transport of small molecules","Developmental Biology","DNA Double-Strand Break Repair","RNA Polymerase 
II Transcription","Signaling by GPCR","Infectious disease","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Intracellular signaling by second messengers","Base Excisi
on Repair","SLC-mediated transmembrane transport","Nervous system development","Nonhomologous End-Joining (NHEJ)","Generic Transcription Pathway","GPCR ligand binding","Leishmania infection","Neurotra
nsmitter receptors and postsynaptic signal transmission","SLC transporter disorders","DAG and IP3 signaling","Resolution of Abasic Sites (AP sites)","Transport of bile salts and organic acids","metal 
ions and amine compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Transcriptional regulation by RUNX3","Class A/1 (Rhodopsin-like receptors)","Leis
hmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Defective SLC6A2 causes orthostatic intolerance (OI)","Transcriptional regulation by RUNX1","CaM pathway","
Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Organic cation/anion/zwitterion transport","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)",
"RUNX3 Regulates Immune Response and Cell Migration","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","RUNX1
 regulates genes involved in megakaryocyte differentiation and platelet function","Calmodulin induced events","PCNA-Dependent Long Patch Base Excision Repair","Organic cation transport","HDR through H
omologous Recombination (HRR)",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Dopamine receptors","Homologous DNA Pairing and Strand
 Exchange","Presynaptic phase of homologous DNA pairing and strand exchange",Metabolism,Hemostasis,"Cellular responses to external stimuli","Immune System","Biological oxidations","Platelet activation
","signaling and aggregation","Cellular responses to stress","Innate Immune System","Metabolism of lipids","Metabolism of amino acids and derivatives","Diseases of metabolism","Cytokine Signaling in I
mmune system","Phase I - Functionalization of compounds","Platelet Aggregation (Plug Formation)","Cellular response to hypoxia","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving 
mediators (SPMs)","Fatty acid metabolism","Branched-chain amino acid catabolism","Diseases of carbohydrate metabolism","Signaling by Interleukins","Cytochrome P450 - arranged by substrate type","Oxyge
n-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Arachidonic acid metabolism","Biosynt
hesis of DPA-derived SPMs","Glycogen storage diseases","Interleukin-1 family signaling","Transcriptional Regulation by TP53","Interleukin-12 family signaling","Interleukin-10 signaling",Xenobiotics,"M
yD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Biosynthesis of DPAn-3 SPMs","Glycogen storage disease type II (GAA)","Interleuk
in-1 signaling","Regulation of TP53 Activity","Interleukin-12 signaling","CYP2E1 reactions","MAP kinase activation","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-deal
kylated by CYP1A2","Biosynthesis of DPAn-3-derived protectins and resolvins","Muscarinic acetylcholine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Regulation of TP53 Expression and Degrad
ation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","
ERKs are inactivated"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,ADRB2,ADRB3,PAH,TNF}

> <broad_moa>
{"adrenergic receptor agonist","carbonic anhydrase activator",neurotransmitter}

> <synonyms>
{ADRENALIN,epinephrine,l-Adrenaline,lAdrenaline,L-epinephrine,Lepinephrine,51-43-4,51434,Adrenalin,adrenaline,Levoepinephrine,Adnephrine,Chelafrin,Epinefrina,Epinephran,Epirenan,(-)-Adrenaline,()Adren
aline,Nephridine,Adrenal,Epifrin,Renoform,Epipen,Vasoconstrictine,Hypernephrin,Renostypticin,Supr,S2522,L-Adrenaline}

> <pdid>
PD003193

> <targets>
{Others}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{5816}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    1.3000   -0.7500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
   11.5927    1.1197    0.0000 O   0  0
   10.2924    0.3719    0.0000 C   0  0
    8.9941    1.1250    0.0000 C   0  0
    7.6924    0.3781    0.0000 C   0  0
    6.3942    1.1312    0.0000 N   0  0
    5.0920    0.3865    0.0000 C   0  0
    3.7961    1.1419    0.0000 C   0  0
    3.8023    2.6419    0.0000 C   0  0
    5.1044    3.3865    0.0000 C   0  0
    6.4003    2.6312    0.0000 C   0  0
   10.2902   -1.1289    0.0000 C   0  0
   11.5882   -1.8808    0.0000 C   0  0
   11.5861   -3.3808    0.0000 C   0  0
   10.2859   -4.1289    0.0000 C   0  0
    8.9880   -3.3771    0.0000 C   0  0
    8.9901   -1.8771    0.0000 C   0  0
   10.2952    1.8727    0.0000 C   0  0
   11.5957    2.6202    0.0000 C   0  0
   11.5985    4.1202    0.0000 C   0  0
   10.3009    4.8727    0.0000 C   0  0
    9.0004    4.1251    0.0000 C   0  0
    8.9976    2.6251    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  2  5  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
  7 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
  7 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12813

> <plate>
PLATE 024

> <well>
C3

> <supplier_cmpd_name>
Loxeen

> <ctcr_id>
2861

> <supplier_cmpd_id>
T1072

> <smiles>
C[S](O)(=O)=O.OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3

> <pd_targets>
{CYP2D6,LMNA,MAPK1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Cytochrome P450",Kinase,"Cytochrome P450 family 2","Protein Kinase","Cytochrome P450 family 2D","CMGC protein kinase group","Cytochrome P450 2D6","CMGC protein kinase 
MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Kinases (EC 2.7.x.x)","CYP2 family: drug metabolising subset","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfami
ly"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Immune System","Biological oxidations",Mitotic,"Innate Immune System","Phase I - Functionalization of compounds","M Phase","Toll-like Receptor Cascades","Cytochrome P450 - ar
ranged by substrate type","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade",Xenobiotics,"Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","CYP2E1 reactions","Nuclear
 Envelope (NE) Reassembly","MAP kinase activation","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"muscle relaxant"}

> <synonyms>
{"Pridinol methanesulfonate",6856-31-1,6856311,"Pridinol methanesulfonate salt","Pridinol mesilate",UNII-AQ4K0AJT6G,UNIIAQ4K0AJT6G,Prestwick_138,Prestwick138,Prestwick-138,"Prestwick 138","Pridinol (m
esylate)",AQ4K0AJT6G,"1,1-diphenyl-3-piperidin-1-ylpropan-1-ol;methanesulfonic acid","1,1diphenyl3piperidin1ylpropan1ol;methanesulfonic acid",MLS0,T1072,1503077,Prestw-799,Loxeen,"PRIDINOL METHANESULF
ONATE"}

> <pdid>
PD013310

> <targets>
{}

> <classes>
{anticholinergic}

> <pubchem_cids>
{165542}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  1  0            999 V2000
    5.7796   -5.7206    0.0000 O   0  0
    6.3873   -4.3492    0.0000 C   0  0
    7.8788   -4.1903    0.0000 O   0  0
    5.5026   -3.1368    0.0000 C   0  0
    4.0102   -3.2959    0.0000 C   0  0
    3.1255   -2.0835    0.0000 C   0  0
    1.6332   -2.2426    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0  2  0  0  0
   -2.7115    0.3949    0.0000 N   0  0
   -3.1750   -1.0317    0.0000 C   0  0
   -4.6016   -1.4952    0.0000 O   0  0
   -1.9615   -1.9133    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  0
 11 10  1  1
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 16 15  1  1
 16  8  1  0
 16 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12814

> <plate>
PLATE 024

> <well>
C4

> <supplier_cmpd_name>
D-Biotin

> <ctcr_id>
670

> <supplier_cmpd_id>
T1116

> <smiles>
OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12

> <pd_targets>
{LMNA,PKM,L3MBTL1,ABL1,RIN1,IDE,PCCB,HLCS,MCCC2,ACACB,MCCC1,PC,PCCA,ACACA}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Epigenetic regulator",Reader,Kinase,Ligase,"Methyl-lysine/arginine binding protein","Protein Kinase","MBT domain","TK protein kinase group","Tyrosine protein kinase Ab
l family"}

> <pathway_chembl>
{Enzymes,"2.7.1.40 Pyruvate kinases","Peptidases and proteinases","Carboxylases and decarboxylases","ME: Metallo (M) Peptidases",Carboxylases,"M16: Pitrilysin"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Gene expression (Transcription)","Metabolism of proteins",Disease,Mitotic,"Metabolism of carbohydrates","RNA Polymerase II Transcription","Post-translational protein modifica
tion","Diseases of metabolism","Metabolism of lipids","M Phase","Glucose metabolism","Generic Transcription Pathway",Deubiquitination,"Defects in vitamin and cofactor metabolism","Metabolism of steroi
ds","Mitotic Metaphase and Anaphase",Glycolysis,"Transcriptional Regulation by TP53","Ub-specific processing proteases","Defects in biotin (Btn) metabolism","Regulation of cholesterol biosynthesis by 
SREBP (SREBF)","Mitotic Anaphase","Regulation of TP53 Activity","Defective HLCS causes multiple carboxylase deficiency","Activation of gene expression by SREBF (SREBP)","Nuclear Envelope (NE) Reassemb
ly","Regulation of TP53 Activity through Methylation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ACACA,ACACB,HLCS,MCCC1,MCCC2,PC,PCCA,PCCB,SLC5A6}

> <broad_moa>
{"vitamin B"}

> <synonyms>
{"(+)-cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid","(+)cisHexahydro2oxo1Hthieno(3,4)imidazole4valeric acid","(+) cis Hexahydro 2 oxo 1H thieno(3,4)imidazole 4 valeric acid",biotin,d-bio
tin,dbiotin,"d biotin",58-85-5,58855,"58 85 5",v,Prestw-418,Biotin}

> <pdid>
PD001108

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{171548}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  8  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12815

> <plate>
PLATE 024

> <well>
C5

> <supplier_cmpd_name>
Deracil

> <ctcr_id>
10947

> <supplier_cmpd_id>
T1310

> <smiles>
O=c1[nH]ccc(=O)[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{2-Hydroxy-4(3H)-pyrimidinone,2Hydroxy4(3H)pyrimidinone,"SQ 6201","SQ 7726","SQ 8493","1,2,3,4-tetrahydropyrimidine-2,4-dione","1,2,3,4tetrahydropyrimidine2,4dione","BMS 205603-01","BMS 20560301",AI3-
25470,AI325470,UNII-56HH86ZVCT,UNII56HH86ZVCT,"NSC 3970",MFCD00006016,"2,4-Pyrimidinediol (9CI)","2,4Pyrimidinediol (9CI)",Uracil-5-d,Uracil5d,2-Hydroxy-4(1H)-pyrimidinone,2Hydroxy4(1H)pyrimidinone,CH
EBI:17568,py,T1310,T0069,Deracil,Uracil}

> <pdid>
PD001670

> <targets>
{RNA,Endogenous Metabolite}

> <classes>
{Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{1174}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  4  2  0  0  0  0            999 V2000
    5.1000    0.3750    0.0000 Na  0  3
    0.0007    0.0004    0.0000 O   0  5
    1.3000    0.7500    0.0000 N   0  0
    2.5993    0.0004    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12816

> <plate>
PLATE 024

> <well>
C6

> <supplier_cmpd_name>
Sodium nitrite

> <ctcr_id>
1526

> <supplier_cmpd_id>
T1316

> <smiles>
[Na+].[O-]N=O

> <pd_targets>
{ALOX15,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover",Lipoxygenases}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Biosynthesis of DPA-derived SPMs","Et
hanol oxidation","Biosynthesis of DPAn-3 SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"SODIUM NITRITE",7632-00-0,7632000,"Nitrous acid, sodium salt",sodium;nitrite,"Natrium nitrit","Nitrito sodico","Sodium nitrite solution","Nitrite de sodium",UNII-M0KG633D4F,UNIIM0KG633D4F,MFCD000111
18,NaNO2,"Sodium nitrite (USP)","Nitrous acid, sodium salt (1:1)",CHEMBL9,T1316,S4074,"Sodium nitrite","Sodium Nitrite"}

> <pdid>
PD006521

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{23668193}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 49 46  0  0  0  0            999 V2000
   25.1938    0.6204    0.0000 O   0  0
   22.6938    0.6204    0.0000 O   0  0
   20.1938    0.6204    0.0000 O   0  0
   17.6938    0.6204    0.0000 O   0  0
   15.1938    0.6204    0.0000 O   0  0
   12.6938    0.6204    0.0000 O   0  0
   10.1938    0.6204    0.0000 O   0  0
    7.6938    0.6204    0.0000 O   0  0
   -0.0133   -5.9950    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    1.2935   -3.7495    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    2.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990    2.2508    0.0000 C   0  0
   -0.4333    2.7514    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
   -3.8972    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.3512    4.4919    0.0000 C   0  0
   -6.6112    3.4635    0.0000 C   0  0
   -7.4928    2.2499    0.0000 C   0  0
   -6.6112    1.0364    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.3512    0.0080    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2990   -2.2500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -7.0732    4.8913    0.0000 C   0  0
   -6.2824    6.1452    0.0000 C   0  0
   -7.2560    7.2863    0.0000 C   0  0
   -6.9050    8.7447    0.0000 O   0  0
   -8.6421    6.7131    0.0000 O   0  0
   -8.5252    5.2176    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0
    5.1828   -6.0130    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5796   -7.5040    0.0000 O   0  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 30 31  1  0
 30 32  1  0
 32 21  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 18  1  0
 35 36  1  0
 35 37  1  0
 37 14  1  0
 27 38  1  0
 38 39  2  3
 39 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 43 38  1  0
 12 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 46 48  1  0
 48 10  1  0
 48 49  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12817

> <plate>
PLATE 024

> <well>
C7

> <supplier_cmpd_name>
Ouabain octahydrate

> <ctcr_id>
216

> <supplier_cmpd_id>
T1318

> <smiles>
O.O.O.O.O.O.O.O.CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)C(O)C(O)C1O

> <pd_targets>
{ATP1A2,ATP1B1,GMNN,ATP1A1,ATP1A3,ATP1A4,ATP1B2,ATP1B3,FXYD2,LMNA,PMP22,TP53,KLF5,AMPC,STAT3,KCNH2}

> <pathway_gtopdb>
{Transporter,"Unclassified protein","Other nuclear protein","Transcription factor",Enzyme,"Ion channel","Primary active transporter",Hydrolase,"Voltage-gated ion channel","P-type ATPase","Potassium ch
annels","Sodium potassium ATPase","Voltage-gated potassium channel"}

> <pathway_chembl>
{"Other protein targets","Ion channels",Transporters,"Transcription factors","Voltage-gated ion channels","P-type ATPases","STAT transcription factors","Potassium channels","P2C P-type ATPases","Volta
ge-gated potassium channels",Na<sup>+</sup>/K<sup>+</sup>-ATPases}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology",Disease,"Muscle contraction",Mitotic,"Nervous system development","Cell Cycle Checkpoints","Transcriptional regulation of granulopoiesis","Diseases of signal tran
sduction by growth factor receptors and second messengers","Cardiac conduction","Infectious disease","Mitotic G1 phase and G1/S transition","M Phase","EGR2 and SOX10-mediated initiation of Schwann cel
l myelination","G1/S DNA Damage Checkpoints","Signaling by FGFR in disease","Phase 3 - rapid repolarisation","SARS-CoV Infections","G1/S Transition","Mitotic Metaphase and Anaphase","p53-Dependent G1/
S DNA damage checkpoint","Signaling by FGFR1 in disease","Potential therapeutics for SARS","Activation of the pre-replicative complex","Mitotic Anaphase","p53-Dependent G1 DNA Damage Response","FGFR1 
mutant receptor activation","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Signaling by cytosolic FGFR1 fusion mutants","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation o
f the E3 ubiquitin ligase COP1"}

> <broad_targets>
{ATP1A1}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{11018-89-6,11018896,LS-15273,LS15273,T1318,S4016,"Ouabain octahydrate",Ouabain}

> <pdid>
PD002643

> <targets>
{"Sodium Channel"}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{22495228}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 11  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 O   0  0
    2.6000    0.0000    0.0000 P   0  0
    2.6000   -1.5000    0.0000 O   0  0
    1.2761   -0.7669    0.0000 O   0  0
    1.2773   -2.2669    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.4992    0.7496    0.0000 Cl  0  0
    6.4989   -0.7502    0.0000 Cl  0  0
    5.2000   -1.5000    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12818

> <plate>
PLATE 024

> <well>
C8

> <supplier_cmpd_name>
Chlorophos

> <ctcr_id>
5479

> <supplier_cmpd_id>
T1329

> <smiles>
CO[P](=O)(OC)C(O)C(Cl)(Cl)Cl

> <pd_targets>
{LMNA,CYP2C19}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 2C","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Mitotic,"Biological oxidations","M Phase","Phase I - Functionalization of compounds","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Mitotic A
naphase",Xenobiotics,"Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ACHE}

> <broad_moa>
{"acetylcholinesterase inhibitor"}

> <synonyms>
{TRICHLORFON,Metrifonate,Chlorophos,Trichlorphon,52-68-6,52686,Metriphonate,"Methyl chlorophos",Bilarcil,Chlorofos,Chloroftalm,Chloroxyphos,Dipterex,Foschlor,Neguvon,Ricifon,Dylox,Agroforotox,Chloroph
thalm,Fliegenteller,Hypodermacid,Khloroftalm,Polfo,T1329,Prestw-51,Trichlorfon}

> <pdid>
PD000287

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5853}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  1  0            999 V2000
    7.1053    4.1554    0.0000 C   0  0
    7.7034    2.7798    0.0000 C   0  0
    6.8176    1.5814    0.0000 C   0  0  1  0  0  0
    5.5330    0.9519    0.0000 C   0  0
    5.3289   -0.3406    0.0000 N   0  0
    6.2796   -1.6862    0.0000 C   0  0
    7.6017   -1.1221    0.0000 C   0  0
    6.5829    0.1283    0.0000 C   0  0
    4.7721   -0.1182    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    2.6003   -1.4977    0.0000 C   0  0  1  0  0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0042   -5.9990    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
 10  9  1  1
 10  5  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  2  0
 24 13  1  0
 24 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12819

> <plate>
PLATE 024

> <well>
C9

> <supplier_cmpd_name>
Hydroquinidine

> <ctcr_id>
903

> <supplier_cmpd_id>
T1334

> <smiles>
CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34

> <pd_targets>
{CYP2D6}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 2D","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Cytochrome P450 - arranged by substrate type",Xenobiotics,"CYP2E1 reactions"}

> <broad_targets>
{}

> <broad_moa>
{antiarrhythmic}

> <synonyms>
{hydroquinidine,Dihydroquinidine,CHEBI:5792,1435-55-8,1435558,"Hydroquinidine (DCF)",Spectrum_000063,Spectrum000063,Spectrum-000063,"Spectrum 000063",Spectrum2_001339,Spectrum2001339,Spectrum2-001339,
"Spectrum2 001339",Spectrum3_000277,Spectrum3000277,Spectrum3-000277,"Spectrum3 000277",Spectrum4_000801,Spectrum4000801,Spectrum4-000801,"Spectrum4 000801",Spectrum5_001439,Spectrum5001439,Spectrum5-
001439,"Spectrum5 001439",BSPBio_001754,BSPBio001754,BSPBio-001754,"BSPBio 001754",KBioGR_001281,KBioGR001281,KBioGR-001281,"KBioGR 001281",KBioSS_000463,KBioSS000463,KBioSS-000463,"KBioSS 000463",Div
K1c_000424,DivK1c000424,DivK1c-000424,"DivK1c 000424",SPECTRUM1500657,SPBio_00,SPBio00,SPBio-00,"SPBio 00",T1334,1500657,Hydroquinidine,HYDROQUINIDINE}

> <pdid>
PD001652

> <targets>
{Others}

> <classes>
{antimalarial,antiarrhythmic,Others}

> <pubchem_cids>
{442912}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 N   0  0
    2.7967   -0.7500    0.0000 C   0  0
    3.8574   -1.8106    0.0000 O   0  0
    2.7967    0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 S   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3032   -3.7490    0.0000 O   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    3.8573    1.8107    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  1  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9  1  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  8 13  1  0
  4 14  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12820

> <plate>
PLATE 024

> <well>
C10

> <supplier_cmpd_name>
Cefalexine EP IMpurity B

> <ctcr_id>
11327

> <supplier_cmpd_id>
T1364

> <smiles>
N12C(=O)[C@H]([C@H]1SCC(=C2C(=O)O)C)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"7-aminodesacetoxycephalosporanic acid","7aminodesacetoxycephalosporanic acid",22252-43-3,22252433,"7-aminodeacetoxycephalosporanic acid","7aminodeacetoxycephalosporanic acid",7-ADCA,7ADCA,"7-amino-3
-methyl-3-cephem-4-carboxylic acid","7amino3methyl3cephem4carboxylic acid",UNII-ANM3MSM8TN,UNIIANM3MSM8TN,ANM3MSM8TN,"7beta-aminodeacetoxycephalosporanic acid","7betaaminodeacetoxycephalosporanic acid
",3-methyl-7-amin,3methyl7amin,T1364,"Cefalexine EP IMpurity B"}

> <pdid>
PD055614

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{33498}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12821

> <plate>
PLATE 024

> <well>
C11

> <supplier_cmpd_name>
DL-Adrenalin

> <ctcr_id>
4500

> <supplier_cmpd_id>
T1071L2

> <smiles>
CNCC(O)c1ccc(O)c(O)c1

> <pd_targets>
{TDP1,FFP,RORC,ADRA2B,ADRB3,MAPT,HTR7,ADRA1A,SLC6A2,ADRA1B,DRD2,ADRB2,KMT2A,ALD,GRK2,ADRA2C,APEX1,MEN1,ADRA2A,ADRB1,SLC22A1,PMP22,BLM,TGR,KDM4E,NPSR1,CYP2D6,THPO,ADRA1D,HIF1A,MAPK1,CYP3A4,ALDH1A1,CYP1
A2,ABCC1,RECQL,TSHR,HSD17B10,ALOX15,CHRM1,GAA,RXFP1,NFKB1,MTOR,CA1,TNF}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Membrane receptor","Other cytosolic protein",Transporter,"Epigenetic regulator","Unclassified protein",Hydrolase,Transferase,"Nuclear receptor","Family A G protein-coup
led receptor","Electrochemical transporter",Reader,Kinase,Eraser,"Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers",Bromodomain,"Prot
ein Kinase","Lysine demethylase","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","SLC06 neurotransmitter transporter family","AGC protein kinase 
group","SLC22 family of organic cation and anion transporters","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F member 3","Adrenergic 
receptor","Serotonin receptor","Dopamine receptor","AGC protein kinase GRK family","Neuropeptide receptor","AGC protein kinase BARK subfamily","Secreted protein","Cytochrome P450",Oxidoreductase,"Prim
ary active transporter",Lyase,"Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","ATP-binding cassette","Cytochrome P450 family 2D","CMGC protein kinase group","Cytochrom
e P450 family 3A","Cytochrome P450 family 1A","ABCC subfamily","Glycohormone receptor","Relaxin-like peptide receptor (family A GPCR)","Atypical protein kinase group","Cytochrome P450 2D6","CMGC prote
in kinase MAPK family","Cytochrome P450 3A4","Cytochrome P450 1A1","Acetylcholine receptor","Relaxin receptor","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase
 FRAP subfamily"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Nuclear hormone receptors","G protein-coupled receptors","SLC superfamily of solute carriers","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","1F. Retinoic acid-r
elated orphans",Adrenoceptors,"5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","Dopamine receptors","2.1.1.43 Histone methyltransferases (HMTs)","AGC: Containing PKA",PKG,"PK
C families","SLC22 family of organic cation and anion transporters","1.14.11.- Histone demethylases","Neuropeptide S receptor","Monoamine transporter subfamily","G protein-coupled receptor kinases (GR
Ks)","Organic cation transporters (OCT)","Beta-adrenergic receptor kinases (&beta;ARKs)","Cytochrome P450","ATP-binding cassette transporter family","Eicosanoid turnover","3.2.1.- Glycosidases","Carbo
nic anhydrases","CYP2 family: drug metabolising subset","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","CYP1 family","ABCC subfamily","Glycoprotein hormone receptors",Lipoxygenases,"Ace
tylcholine receptors (muscarinic)","Relaxin family peptide receptors",Atypical,"Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK su
bfamily","FRAP subfamily"}

> <pathway_reactome>
{"DNA Repair","Gene expression (Transcription)","Signal Transduction",Disease,"Neuronal System","Transport of small molecules","Developmental Biology","DNA Double-Strand Break Repair","RNA Polymerase 
II Transcription","Signaling by GPCR","Infectious disease","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Intracellular signaling by second messengers","Base Excisi
on Repair","SLC-mediated transmembrane transport","Nervous system development","Nonhomologous End-Joining (NHEJ)","Generic Transcription Pathway","GPCR ligand binding","Leishmania infection","Neurotra
nsmitter receptors and postsynaptic signal transmission","SLC transporter disorders","DAG and IP3 signaling","Resolution of Abasic Sites (AP sites)","Transport of bile salts and organic acids","metal 
ions and amine compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Transcriptional regulation by RUNX3","Class A/1 (Rhodopsin-like receptors)","Leis
hmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Defective SLC6A2 causes orthostatic intolerance (OI)","Transcriptional regulation by RUNX1","CaM pathway","
Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Organic cation/anion/zwitterion transport","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)",
"RUNX3 Regulates Immune Response and Cell Migration","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","RUNX1
 regulates genes involved in megakaryocyte differentiation and platelet function","Calmodulin induced events","PCNA-Dependent Long Patch Base Excision Repair","Organic cation transport","HDR through H
omologous Recombination (HRR)",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Dopamine receptors","Homologous DNA Pairing and Strand
 Exchange","Presynaptic phase of homologous DNA pairing and strand exchange",Metabolism,Hemostasis,"Cellular responses to external stimuli","Immune System","Biological oxidations","Platelet activation
","signaling and aggregation","Cellular responses to stress","Innate Immune System","Metabolism of lipids","Metabolism of amino acids and derivatives","Diseases of metabolism","Cytokine Signaling in I
mmune system","Phase I - Functionalization of compounds","Platelet Aggregation (Plug Formation)","Cellular response to hypoxia","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving 
mediators (SPMs)","Fatty acid metabolism","Branched-chain amino acid catabolism","Diseases of carbohydrate metabolism","Signaling by Interleukins","Cytochrome P450 - arranged by substrate type","Oxyge
n-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Arachidonic acid metabolism","Biosynt
hesis of DPA-derived SPMs","Glycogen storage diseases","Interleukin-1 family signaling","Transcriptional Regulation by TP53","Interleukin-12 family signaling","Interleukin-10 signaling",Xenobiotics,"M
yD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Biosynthesis of DPAn-3 SPMs","Glycogen storage disease type II (GAA)","Interleuk
in-1 signaling","Regulation of TP53 Activity","Interleukin-12 signaling","CYP2E1 reactions","MAP kinase activation","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-deal
kylated by CYP1A2","Biosynthesis of DPAn-3-derived protectins and resolvins","Muscarinic acetylcholine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Regulation of TP53 Expression and Degrad
ation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","
ERKs are inactivated"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,ADRB2,ADRB3,PAH,TNF}

> <broad_moa>
{"adrenergic receptor agonist","carbonic anhydrase activator",neurotransmitter}

> <synonyms>
{ADRENALIN,SDCCGSBI-0050505.P002,SDCCGSBI0050505.P002,DL-Adrenaline,DLAdrenaline,329-65-7,329657,dl-Epinephrine,dlEpinephrine,Racepinefrine,Racepinephrine,adrenaline,"Epinephrine racemic",(+-)-Adrenal
ine,(+)Adrenaline,"4-(1-hydroxy-2-(methylamino)ethyl)benzene-1,2-diol","4(1hydroxy2(methylamino)ethyl)benzene1,2diol",Racepinefrina,Racepinefrinum,(+-)-Epinephrine,(+)Epinephrine,Epire,T1071L,T1071,T1
071L2,S2523,SAM002699891,S2522,"DL-Adrenaline Hydrochloride",L-Adrenaline,DL-Adrenalin,CPD000857209}

> <pdid>
PD003193

> <targets>
{"Adrenergic Receptor",GPCR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{838,4866774}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 55 62  0  0  1  0            999 V2000
    5.1667  -15.0029    0.0000 C   0  0
    6.4683  -14.2574    0.0000 C   0  0  1  0  0  0
    6.4735  -12.7574    0.0000 O   0  0
    7.7751  -12.0118    0.0000 C   0  0  2  0  0  0
    9.0715  -12.7664    0.0000 C   0  0
    9.0664  -14.2664    0.0000 C   0  0  2  0  0  0
   10.3628  -15.0208    0.0000 O   0  0
    7.7647  -15.0119    0.0000 C   0  0  2  0  0  0
    7.7596  -16.5119    0.0000 O   0  0
    7.7773  -10.5110    0.0000 O   0  0
    6.4790   -9.7579    0.0000 C   0  0  1  0  0  0
    6.4790   -8.2579    0.0000 C   0  0  1  0  0  0
    7.7781   -7.5079    0.0000 O   0  0
    5.1800   -7.5079    0.0000 C   0  0
    3.8809   -8.2579    0.0000 C   0  0  1  0  0  0
    3.8810   -9.7579    0.0000 O   0  0
    5.1800  -10.5079    0.0000 C   0  0  2  0  0  0
    5.1800  -12.0079    0.0000 C   0  0
    2.5826   -7.5048    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0  1  0  0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
   -0.0133   -5.9950    0.0000 O   0  0
    1.2935   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    3.8915   -3.7585    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0  2  0  0  0
    5.1828   -6.0130    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990    2.2500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0  1  0  0  0
   -3.8971    5.2500    0.0000 O   0  0
   -5.1962    3.0000    0.0000 C   0  0  2  0  0  0
   -5.3512    4.4919    0.0000 C   0  0
   -6.6112    3.4635    0.0000 C   0  0  2  0  0  0
   -7.4928    2.2500    0.0000 C   0  0
   -6.6111    1.0364    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0  2  0  0  0
   -5.3512    0.0080    0.0000 O   0  0
   -7.0732    4.8913    0.0000 C   0  0
   -6.2824    6.1452    0.0000 C   0  0
   -7.2559    7.2864    0.0000 C   0  0
   -6.9049    8.7447    0.0000 O   0  0
   -8.6421    6.7131    0.0000 O   0  0
   -8.5252    5.2177    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  2  1  0
  8  9  1  6
  4 10  1  1
 11 10  1  6
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 11  1  0
 17 18  1  1
 15 19  1  1
 20 19  1  1
 20 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 20  1  0
 26 27  1  6
 24 28  1  6
 29 28  1  6
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  6
 32 34  1  0
 34 35  1  1
 35 36  1  0
 37 36  1  1
 37 38  1  0
 38 32  1  0
 38 39  1  6
 39 40  1  0
 40 41  1  6
 40 42  1  0
 42 43  1  6
 42 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 37  1  0
 47 42  1  0
 47 48  1  6
 44 49  1  6
 49 50  2  3
 50 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  1  0
 54 49  1  0
 34 55  1  0
 55 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12822

> <plate>
PLATE 024

> <well>
D2

> <supplier_cmpd_name>
Digoxin

> <ctcr_id>
4482

> <supplier_cmpd_id>
T1194

> <smiles>
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]3[C@@H](O)C[C@@H](O[C@@H]3C)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4

> <pd_targets>
{GLA,ATP1A2,ATP1A3,RORC,ATP1A1,LMNA,TP53,REP,ATP1A4,ATP1B1,ATP1B2,ATP1B3,FXYD2,RECQL,LEF,SLCO1A4,SLCO1B1,STAT3,PAX8,SLCO1B3}

> <pathway_gtopdb>
{Enzyme,Transporter,"Transcription factor","Other nuclear protein","Unclassified protein",Hydrolase,"Primary active transporter","Nuclear receptor",Protease,Transferase,"Electrochemical transporter","
P-type ATPase","Nuclear hormone receptor subfamily 1","Cysteine protease","Metallo protease","SLC superfamily of solute carriers","Sodium potassium ATPase","Nuclear hormone receptor subfamily 1 group 
F","Cysteine protease CA clan","Metallo protease MAE clan","SLC21/SLCO family of organic anion transporting polypeptides","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C1A
 family","Metallo protease M34 family"}

> <pathway_chembl>
{Receptors,Transporters,"Other protein targets","Nuclear hormone receptors","P-type ATPases","Anti-infective targets","SLC superfamily of solute carriers","Transcription factors","1F. Retinoic acid-re
lated orphans","P2C P-type ATPases","Viral protein targets","SLCO family of organic anion transporting polypeptides","STAT transcription factors",Na<sup>+</sup>/K<sup>+</sup>-ATPases,"Coronavirus (CoV
) proteins"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)",Disease,"Cell Cycle","Metabolism of lipids","RNA Polymerase II Transcription","Infectious disease",Mitotic,"Cell Cycle Checkpoints","Diseases of signal tr
ansduction by growth factor receptors and second messengers","Sphingolipid metabolism","Generic Transcription Pathway","SARS-CoV Infections","M Phase","G1/S DNA Damage Checkpoints","Uptake and actions
 of bacterial toxins","Metabolism of steroids","Signaling by FGFR in disease","Glycosphingolipid metabolism","Transcriptional regulation by RUNX3","Potential therapeutics for SARS","Mitotic Metaphase 
and Anaphase","p53-Dependent G1/S DNA damage checkpoint","SARS-CoV-2 Infection","Uptake and function of anthrax toxins","Bile acid and bile salt metabolism","Signaling by FGFR1 in disease","RUNX3 Regu
lates Immune Response and Cell Migration","Mitotic Anaphase","p53-Dependent G1 DNA Damage Response","SARS-CoV-2 Genome Replication and Transcription","Recycling of bile acids and salts","FGFR1 mutant 
receptor activation","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Replication of the SARS-CoV-2 genome","Signaling by cytosolic FGFR1 fusion mutants","Initiation of Nuclear Envelope (NE)
 Reformation","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{ATP1A1}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{RESTW43,"RESTW 43",digoxin,20830-75-5,20830755,"20830 75 5",Lanoxin,12beta-Hydroxydigitoxin,12betaHydroxydigitoxin,"12beta Hydroxydigitoxin",Dilanacin,Lanoxicaps,Digacin,Davoxin,Digosin,Rougoxin,Cord
ioxil,"Digoxin Pediatric",CHEBI:4551,MLS00006,Prestw-437,Digoxin}

> <pdid>
PD002372

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2724385}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    0.1194   -2.3933    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    2.2393   -0.8534    0.0000 C   0  0
    1.2135    0.3943    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0
    0.0000    2.7760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  2  1  0
  8  9  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12823

> <plate>
PLATE 024

> <well>
D3

> <supplier_cmpd_name>
5,5-Dimethyloxazolidine-2,4-dione

> <ctcr_id>
5345

> <supplier_cmpd_id>
T1234

> <smiles>
CC1(C)OC(=O)NC1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"oxazolidine antiepileptic"}

> <synonyms>
{dimethadione,"5,5-Dimethyloxazolidine-2,4-dione","5,5Dimethyloxazolidine2,4dione",695-53-4,695534,"5,5-Dimethyl-2,4-oxazolidinedione","5,5Dimethyl2,4oxazolidinedione",Dimethadion,Propazone,Dimethylox
azolidinedione,Eupractone,"2,4-Oxazolidinedione, 5,5-dimethyl-","2,4Oxazolidinedione, 5,5dimethyl","5,5-Dimethyl-1,3-oxazolidine-2,4-dione","5,5Dimethyl1,3oxazolidine2,4dione","BAX 1400Z",T1234,150025
3,Prestw-829,DIMETHADIONE,Dimethadione}

> <pdid>
PD002367

> <targets>
{}

> <classes>
{anticonvulsant}

> <pubchem_cids>
{3081}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5998   -1.4987    0.0000 C   0  0  2  0  0  0
   -3.8976   -0.7465    0.0000 O   0  0
   -2.6028   -2.9995    0.0000 C   0  0
   -3.9035   -3.7482    0.0000 C   0  0
   -3.9087   -5.2482    0.0000 C   0  0
   -5.2103   -5.9938    0.0000 C   0  0
   -5.2153   -7.4938    0.0000 O   0  0
   -6.5068   -5.2394    0.0000 N   0  0
   -6.5017   -3.7394    0.0000 C   0  0
   -7.7982   -2.9850    0.0000 O   0  0
   -5.2001   -2.9938    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  1
  9  2  1  0
  8 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12824

> <plate>
PLATE 024

> <well>
D4

> <supplier_cmpd_name>
Actidione

> <ctcr_id>
6893

> <supplier_cmpd_id>
T1225

> <smiles>
C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2

> <pd_targets>
{NR2F2,FKBP1A,FKBP4,RORC,CYP3A4,SLC2A1,LEF,TP53,FKBP14,REP,ALDH1A1,LMGT2,RPL19A,HT1,EPAS1,HIF1A}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transporter,"Other nuclear protein","Unclassified protein","Nuclear receptor",Isomerase,"Cytochrome P450","Electrochemical transporter",Protease,Oxidoreductase,"Nuclear 
hormone receptor subfamily 2","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","SLC superfamily of solute carriers","Metallo protease","Nuclear hormone receptor subfamily 2 group F","
Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","SLC02 family of hexose and sugar alcohol transporters","Metallo protease MAE clan","Nuclear hormone receptor subfamily 2 grou
p F member 2","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Metallo protease M34 family"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Other protein targets","Nuclear hormone receptors","Peptidyl-prolyl cis/trans isomerases","Cytochrome P450","SLC superfamily of solute carriers","Anti-infective target
s","2F. COUP-TF-like receptors","1F. Retinoic acid-related orphans","CYP3 family","SLC2 family of hexose and sugar alcohol transporters","Viral protein targets","Class I transporters","Coronavirus (Co
V) proteins"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Cellular responses to external stimuli","Gene expression (Transcription)",Metabolism,"Cell Cycle","Metabolism of proteins","Transcriptional regulation of white adipoc
yte differentiation","Diseases of signal transduction by growth factor receptors and second messengers","Cellular responses to stress","RNA Polymerase II Transcription","Metabolism of lipids","Disorde
rs of transmembrane transporters","Infectious disease","Cell Cycle Checkpoints","Unfolded Protein Response (UPR)","Biological oxidations","Signaling by TGF-beta Receptor Complex in Cancer","Cellular r
esponse to heat stress","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","SLC transporter disorders","Uptake and actions of bacterial toxins","G1/S DNA Damag
e Checkpoints","IRE1alpha activates chaperones","SARS-CoV Infections","Phase I - Functionalization of compounds","Loss of Function of TGFBR1 in Cancer","HSF1-dependent transactivation","Transcriptiona
l regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Defective SLC2A1 causes GLUT1 deficiency syndrome 1 (GLUT1DS1)","Uptake and function of anthrax toxins","p53-Dependent G1/S DNA damage checkp
oint","XBP1(S) activates chaperone genes","SARS-CoV-1 Infection","Ethanol oxidation","TGFBR1 LBD Mutants in Cancer","Attenuation phase","RUNX3 Regulates Immune Response and Cell Migration","Biosynthes
is of maresins","p53-Dependent G1 DNA Damage Response","SARS-CoV-1 Genome Replication and Transcription","Biosynthesis of maresin-like SPMs","Stabilization of p53","Replication of the SARS-CoV-1 genom
e","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{RPL3}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{cycloheximide,66-81-9,66819,ACTIDIONE,Cicloheximide,"NARAMYCIN A",Kaken,Actidion,Actidone,Hizarocin,Naramycin,Neocycloheximide,Acti-Aid,ActiAid,Actispray,"Actidione PM",Cicloheximida,Cicloheximidum,C
ycloheximid,Zykloheximid,C15H23NO4,"NSC 185",Cycloheximide,T1225,1502112,Prestw-790,Actidione,CYCLOHEXIMIDE}

> <pdid>
PD001378

> <targets>
{}

> <classes>
{"protein synthesis inhibitor"}

> <pubchem_cids>
{6197}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3032   -3.7490    0.0000 O   0  0
   -1.2946   -3.7531    0.0000 O   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3032    3.7490    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  3 10  1  0
 10 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12825

> <plate>
PLATE 024

> <well>
D5

> <supplier_cmpd_name>
PAMBA

> <ctcr_id>
11328

> <supplier_cmpd_id>
T1252

> <smiles>
c1cc(ccc1C(=O)O)CN

> <pd_targets>
{SLC15A1,SLC15A2}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC15 family of peptide transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC15 family of peptide transporters"}

> <pathway_reactome>
{"Transport of small molecules","SLC-mediated transmembrane transport","Transport of inorganic cations/anions and amino acids/oligopeptides","Proton/oligopeptide cotransporters"}

> <broad_targets>
{}

> <broad_moa>
{"hemostatic agent"}

> <synonyms>
{"4-(Aminomethyl)benzoic acid","4(Aminomethyl)benzoic acid",56-91-7,56917,4-Carboxybenzylamine,4Carboxybenzylamine,"Aminomethylbenzoic acid",Pamba,"4-Aminomethylbenzoic acid","4Aminomethylbenzoic acid
","p-Aminomethylbenzoic acid","pAminomethylbenzoic acid",Styptopur,Gumbix,"Benzoic acid, 4-(aminomethyl)-","Benzoic acid, 4(aminomethyl)","Benzylamine-4-carboxylic acid","Benzylamine4carboxylic acid",
alpha-Amino-p-tolui,alphaAminoptolui,T1252,PAMBA}

> <pdid>
PD008581

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{65526}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2973   -2.2519    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -4.0195    1.4524    0.0000 C   0  0
   -3.2716    2.7526    0.0000 C   0  0
   -1.9711    3.5001    0.0000 Cl  0  0
   -4.5497    3.5378    0.0000 Cl  0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 11  1  0
 13 14  1  0
 13 15  1  0
  2 16  1  0
 16 17  1  0
 16 18  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12826

> <plate>
PLATE 024

> <well>
D6

> <supplier_cmpd_name>
Ciprofibrate

> <ctcr_id>
5959

> <supplier_cmpd_id>
T1264

> <smiles>
CC(C)(Oc1ccc(cc1)C2CC2(Cl)Cl)C(O)=O

> <pd_targets>
{AMPC,BLM,LMNA,PPARA}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor",Hydrolase,"Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subf
amily 1 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1C. Peroxisome proliferator-activated receptors"}

> <pathway_reactome>
{"DNA Repair","Cell Cycle",Metabolism,"DNA Double-Strand Break Repair",Mitotic,"Metabolism of lipids","Homology Directed Repair","M Phase","Metabolism of steroids","HDR through Homologous Recombinatio
n (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Regulation of cholesterol biosynthesis by SREBP (SREBF)","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Ac
tivation of gene expression by SREBF (SREBP)","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","Presynaptic phase of homologous DNA pairing and strand exchange","Initiat
ion of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{PPARA}

> <broad_moa>
{"PPAR receptor agonist"}

> <synonyms>
{RESTW107,Ciprofibrate,52214-84-3,52214843,"2-(4-(2,2-dichlorocyclopropyl)phenoxy)-2-methylpropanoic acid","2(4(2,2dichlorocyclopropyl)phenoxy)2methylpropanoic acid",Lipanor,Ciprofibratum,Ciprofibrato
,Modalim,"2-(4-(2,2-Dichlorocyclopropyl)phenoxy)-2-methylpropanoic acid","2(4(2,2Dichlorocyclopropyl)phenoxy)2methylpropanoic acid",Win-35833,Win35833,"WIN 35833","Propanoic acid",2-(4-(2,2(4(2,2,T126
4,Prestw-1076}

> <pdid>
PD001436

> <targets>
{PPAR}

> <classes>
{Cell Cycle/DNA Damage}

> <pubchem_cids>
{2763}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 43 48  0  0  0  0            999 V2000
    9.0976   -1.9616    0.0000 Br  0  0
   -3.7811    0.2108    0.0000 C   0  0
   -2.4780    0.9537    0.0000 C   0  0
   -1.1701    0.1892    0.0000 N   0  0
   -2.1650   -1.4293    0.0000 C   0  0
   -1.1841   -1.1841    0.0000 C   0  0
   -2.2982   -0.5465    0.0000 C   0  0
   -2.3052    0.7287    0.0000 C   0  0
   -1.1981    1.3733    0.0000 C   0  0
   -1.2076    2.8762    0.0000 O   0  0
   -2.5109    3.6188    0.0000 C   0  0
   -0.0841    0.7357    0.0000 C   0  0
   -0.0771   -0.5325    0.0000 C   0  0
    0.6796   -1.2822    0.0000 C   0  0
    1.9058   -1.0650    0.0000 C   0  0
   -0.0841    1.8497    0.0000 C   0  0
    2.4944    0.0841    0.0000 C   0  0
    3.7062   -0.8000    0.0000 O   0  0
    4.4632    2.0459    0.0000 C   0  0
    4.1059    3.2791    0.0000 C   0  0
    5.1426    4.3528    0.0000 O   0  0
    6.5968    3.9849    0.0000 C   0  0
    1.6536    3.2791    0.0000 C   0  0
    0.5255    2.7396    0.0000 C   0  0
    0.6937    1.5064    0.0000 C   0  0
    1.9198    1.2752    0.0000 C   0  0
    1.2787    2.6313    0.0000 O   0  0
    2.5224    2.3752    0.0000 C   0  0
    3.9889    2.0555    0.0000 O   0  0
    4.4459    0.6268    0.0000 C   0  0
   -2.6667   -1.4619    0.0000 O   0  0
   -3.1547   -2.8811    0.0000 C   0  0
   -2.1698   -4.0125    0.0000 O   0  0
   -4.6277   -3.1690    0.0000 C   0  0
   -5.6107   -2.0360    0.0000 C   0  0
   -7.0834   -2.3207    0.0000 C   0  0
   -7.5732   -3.7385    0.0000 C   0  0
   -6.5902   -4.8716    0.0000 C   0  0
   -5.1175   -4.5868    0.0000 C   0  0
   -4.1364   -5.7226    0.0000 N   0  0
   -4.6285   -7.1404    0.0000 C   0  0
   -3.6479   -8.2755    0.0000 O   0  0
   -6.1017   -7.4225    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13  6  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16  4  1  0
 16 12  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 25 12  1  0
 25 26  1  0
 26 17  1  0
 26 27  1  0
 26 28  1  0
 28 23  1  0
 28 29  1  0
 29 30  1  0
  6 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12827

> <plate>
PLATE 024

> <well>
D7

> <supplier_cmpd_name>
Lappaconitine

> <ctcr_id>
635

> <supplier_cmpd_id>
T2806

> <smiles>
Br.CCN1CC2(CCC(OC)C34C2CC(C13)C5(O)CC(OC)C6CC4C5(O)C6OC)OC(=O)c7ccccc7NC(=O)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{"Lappaconitine hydrobromide",97792-45-5,97792455,"Lappaconite HBr","Lappaconite Hydrobromide","Lappaconitine hydrobromide;Allapinin",BCP27654,CA0154,DB-057685,DB057685,T2806,T6560,S2387,Lappaconitine
}

> <pdid>
PD050065

> <targets>
{Others,P2X Receptor}

> <classes>
{Others,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{19429219}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 23  0  0  0  0            999 V2000
   12.7436    6.7870    0.0000 C   0  0
   11.2519    6.6299    0.0000 C   0  0
   10.6409    5.2591    0.0000 C   0  0
    9.1483    5.1018    0.0000 C   0  0
    8.5373    3.7310    0.0000 C   0  0
    7.0448    3.5738    0.0000 C   0  0
    6.4338    2.2030    0.0000 C   0  0
    4.9412    2.0457    0.0000 C   0  0
    4.3302    0.6749    0.0000 C   0  0
    2.8377    0.5177    0.0000 C   0  0
    2.2267   -0.8531    0.0000 C   0  0
    3.1112   -2.0656    0.0000 C   0  0
    2.5034   -3.4369    0.0000 O   0  0
    4.6028   -1.9068    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -2.6401    0.8578    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 O   0  0
    0.1234   -2.3817    0.0000 C   0  0
    1.0053   -3.5951    0.0000 O   0  0
   -1.3683   -2.5393    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 11 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 15  1  0
 15 21  1  0
 21 22  1  0
 21 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12828

> <plate>
PLATE 024

> <well>
D8

> <supplier_cmpd_name>
Spiculisporic Acid

> <ctcr_id>
5758

> <supplier_cmpd_id>
T2828

> <smiles>
CCCCCCCCCCC(C(O)=O)C1(CCC(=O)O1)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Spiculisporic acid",469-77-2,469772,"4,5-Dicarboxy-gamma-pentadecanolactone","4,5Dicarboxygammapentadecanolactone","Spiculesporic acid",MLS003115257,NSC244387,"4,5-dicarboxy-4-pentadecanolide","4,5d
icarboxy4pentadecanolide","2-(1-carboxyundecyl)-5-oxotetrahydrofuran-2-carboxylic acid","2(1carboxyundecyl)5oxotetrahydrofuran2carboxylic acid",65759-98-0,65759980,SPICULISPORICACID,SCHEM,T2828,"NSC 2
44387","Spiculisporic Acid","SPICULISPORIC ACID"}

> <pdid>
PD000138

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{316426}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  8  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12829

> <plate>
PLATE 024

> <well>
D9

> <supplier_cmpd_name>
Hydroquinone

> <ctcr_id>
3532

> <supplier_cmpd_id>
T0673

> <smiles>
Oc1ccc(O)cc1

> <pd_targets>
{BLM,CA2,CA14,HSD17B10,RORC,MAPT,CA13,CA1,CA4,NFKB1,CA5A,PPO2,THPO,CA15,CA3,LMNA,HIF1A,ALDH1A1,FFP,HPGD,CYP3A4,CA5B,CA9,RECQL,LEF,ACHE,KMT2A,MEN1,CHRM1,CA12,KDM4E,HBB,GMNN,PMP22,NFO,ALOX15,MTOR,TYR}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other cytosolic protein","Unclassified protein","Other nuclear protein","Epigenetic regulator","Membrane receptor","Secreted protein",Lyase,Oxidoreductase,"Nuclear rece
ptor",Transferase,"Cytochrome P450",Protease,Hydrolase,Reader,"Family A G protein-coupled receptor",Eraser,Kinase,"Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Metallo protease",B
romodomain,"Small molecule receptor (family A GPCR)","Lysine demethylase","Protein Kinase","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Metallo protease MAE clan","Monoa
mine receptor","Jumonji domain-containing","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Metallo protease M34 family","Acetylcholine re
ceptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Carbonic anhydrases","Nuclear hormone receptors","Eicosanoid turnover","Cytochrome P450","Acetylcholine turnover","G protein-coupled receptors","Chromatin modifying enzymes","Kinas
es (EC 2.7.x.x)","1.-.-.- Oxidoreductases","1F. Retinoic acid-related orphans","Prostaglandin synthases","CYP3 family","Acetylcholine receptors (muscarinic)","1.14.11.- Histone demethylases",Lipoxygen
ases,Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"DNA Repair","Transport of small molecules",Metabolism,"Gene expression (Transcription)","Neuronal System","Immune System",Hemostasis,"Cell Cycle","Cellular responses to external stimuli",Disease,"Si
gnal Transduction","Developmental Biology","DNA Double-Strand Break Repair","O2/CO2 exchange in erythrocytes","Reversible hydration of carbon dioxide","Metabolism of amino acids and derivatives","RNA 
Polymerase II Transcription","Transmission across Chemical Synapses","Cytokine Signaling in Immune system","Platelet activation","signaling and aggregation",Mitotic,"Cellular responses to stress","Bio
logical oxidations","Metabolism of lipids","Infectious disease","Signaling by GPCR","Innate Immune System","Nervous system development","Homology Directed Repair","Erythrocytes take up carbon dioxide 
and release oxygen","Branched-chain amino acid catabolism","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by Interleukins","Platelet Aggre
gation (Plug Formation)","M Phase","Cellular response to hypoxia","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and actions of bacteria
l toxins","Phospholipid metabolism","GPCR ligand binding","Neutrophil degranulation","Mitotic G1 phase and G1/S transition","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Melanin bi
osynthesis","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Interleukin-12 f
amily signaling","Interleukin-1 family signaling","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Ethanol oxidation","Biosynthesis of DHA-d
erived SPMs","Regulation of gene expression by Hypoxia-inducible Factor","Uptake and function of anthrax toxins","Glycerophospholipid biosynthesis","Class A/1 (Rhodopsin-like receptors)","G1/S Transit
ion","Biosynthesis of DPA-derived SPMs","Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activ
ation events","Interleukin-12 signaling","Interleukin-1 signaling","Mitotic Anaphase","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Synthesis of PC","Amine ligand-binding receptors"
,"Activation of the pre-replicative complex","Biosynthesis of DPAn-3 SPMs","Regulation of TP53 Activity","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","Gene an
d protein expression by JAK-STAT signaling after Interleukin-12 stimulation","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Muscar
inic acetylcholine receptors","Biosynthesis of DPAn-3-derived protectins and resolvins","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange
","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{TYR}

> <broad_moa>
{"melanin inhibitor"}

> <synonyms>
{"1,4-benzenediol","1,4benzenediol","Benzene-1,4-diol","Benzene1,4diol",123-31-9,123319,Quinol,"1,4-Dihydroxybenzene","1,4Dihydroxybenzene",p-Benzenediol,pBenzenediol,p-Hydroquinone,pHydroquinone,p-Hy
droxyphenol,pHydroxyphenol,p-Dihydroxybenzene,pDihydroxybenzene,4-Hydroxyphenol,4Hydroxyphenol,Benzoquinol,Eldoquin,hydroquinol,Eldopaque,Phiaquin,p-Dioxybenzene,pDioxybenzene,Benzoh,T0673,1504237,Hyd
roquinone,HYDROQUINONE}

> <pdid>
PD001215

> <targets>
{}

> <classes>
{antioxidant}

> <pubchem_cids>
{785}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  2 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12830

> <plate>
PLATE 024

> <well>
D10

> <supplier_cmpd_name>
Benzoyl peroxide

> <ctcr_id>
4769

> <supplier_cmpd_id>
T0764

> <smiles>
O=C(OOC(=O)c1ccccc1)c2ccccc2

> <pd_targets>
{LMNA}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"oxidizing agent"}

> <synonyms>
{"BENZOYL PEROXIDE",94-36-0,94360,"Dibenzoyl peroxide","Peroxide, dibenzoyl",Benzoperoxide,"Benzoyl superoxide",Acetoxyl,Benoxyl,Lucidol,Panoxyl,"Benzol peroxide",Dibenzoylperoxid,Benzoylperoxid,Asido
pan,Persadox,Benzac,Eloxyl,Mytolac,Oxylite,T0764,1503004,"Benzoyl peroxide"}

> <pdid>
PD001111

> <targets>
{}

> <classes>
{keratolytic}

> <pubchem_cids>
{7187}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12831

> <plate>
PLATE 024

> <well>
D11

> <supplier_cmpd_name>
Salicylanilide

> <ctcr_id>
2869

> <supplier_cmpd_id>
T0753

> <smiles>
Oc1ccccc1C(=O)Nc2ccccc2

> <pd_targets>
{HSD17B10,LMNA,HPGD,STX1,KMT2A,MEN1,HTT,TP53,KDM4E,AMPC}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Unclassified protein","Epigenetic regulator","Transcription factor",Oxidoreductase,Reader,Eraser,Hydrolase,Bromodomain,"Lysine demethylase","Jumonji domain-containing"
}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Chromatin modifying enzymes","Prostaglandin synthases","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Gene expression (Transcription)","Metabolism of amino acids and derivatives",Mitotic,"Metabolism of lipids","RNA Polymerase II Transcription","Cell Cycle Checkpoints","Branch
ed-chain amino acid catabolism","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","G1/S DNA Damage Checkpoints","Mitotic Metaphase and Anaphase","Bi
osynthesis of DHA-derived SPMs","Transcriptional Regulation by MECP2","p53-Dependent G1/S DNA damage checkpoint","Mitotic Anaphase","Biosynthesis of D-series resolvins","Regulation of MECP2 expression
 and activity","p53-Dependent G1 DNA Damage Response","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin l
igase COP1"}

> <broad_targets>
{}

> <broad_moa>
{"other antibiotic"}

> <synonyms>
{87-17-2,87172,2-Hydroxy-N-phenylbenzamide,2HydroxyNphenylbenzamide,N-Phenylsalicylamide,NPhenylsalicylamide,Salinide,"Benzamide, 2-hydroxy-N-phenyl-","Benzamide, 2hydroxyNphenyl",Salinidol,Salicylani
lid,Salifebrin,Ansadol,"Salicylic acid anilide",Salnide,2-Hydroxybenzanilide,2Hydroxybenzanilide,Aseptolan,Hyanilid,Shirlan,o-,o,T0753,S4187,300618,Salicylanilide,SALICYLANILIDE}

> <pdid>
PD001994

> <targets>
{HIV,HIV Integrase}

> <classes>
{fungicide,antipyretic,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{6872}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  3
    1.2947   -3.7531    0.0000 O   0  5
   -1.3032   -3.7490    0.0000 O   0  0
   -2.5988    1.5004    0.0000 As  0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0004    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  5 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  2  0
M  CHG  2   8   1   9  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12832

> <plate>
PLATE 024

> <well>
E2

> <supplier_cmpd_name>
Roxarsone

> <ctcr_id>
4364

> <supplier_cmpd_id>
T0736

> <smiles>
Oc1ccc(cc1[N+]([O-])=O)[As](O)(O)=O

> <pd_targets>
{TGR,MAPT,KDM4E,L3MBTL1,LMNA,AMPC}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Other nuclear protein",Eraser,Reader,Hydrolase,"Lysine demethylase","Methyl-lysine/arginine binding protein","Jumonji domain-containing","MBT 
domain"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Neuronal System","Gene expression (Transcription)","Cell Cycle","Transmission across Chemical Synapses","RNA Polymerase II Transcription",Mitotic,"Neurotransmitter receptors and postsynaptic signal 
transmission","Generic Transcription Pathway","M Phase","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Post NMDA receptor
 activation events","Regulation of TP53 Activity","Mitotic Anaphase","Activation of AMPK downstream of NMDARs","Regulation of TP53 Activity through Methylation","Nuclear Envelope (NE) Reassembly","Ini
tiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"antiprotozoal agent"}

> <synonyms>
{RESTW97,roxarsone,121-19-7,121197,"4-Hydroxy-3-nitrophenylarsonic acid","4Hydroxy3nitrophenylarsonic acid","4-Hydroxy-3-nitrobenzenearsonic acid","4Hydroxy3nitrobenzenearsonic acid",Ristat,3-Nitro,3N
itro,Ren-O-sal,RenOsal,Aklomix-3,Aklomix3,Roxarson,3-Nitro-10,3Nitro10,3N4hpa,"Nitrophenolarsonic acid",Roxarsonum,3-Nitro-20,3Nitro20,3-Nitro-50,3Nitro50,3-Nitro-80,3Nitro80,(4-hydroxy-3-ni,(4hydroxy
3ni,T0736,1500530,Prestw-970,Roxarsone,ROXARSONE}

> <pdid>
PD001763

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5104}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    4.9133   -2.5627    0.0000 Cl  0  0
   -1.2250   -6.6252    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  5  1  0
 14  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12833

> <plate>
PLATE 024

> <well>
E3

> <supplier_cmpd_name>
Serotonin hydrochloride

> <ctcr_id>
2903

> <supplier_cmpd_id>
T2209

> <smiles>
Cl.NCCc1c[nH]c2ccc(O)cc12

> <pd_targets>
{CYP2D6,HTR1A,MAPT,NFO,AMPC,ALD,NPSR1,HTR1E,HTR1F,HTR4,HTR2A,HTR2C,HTR5A,HTR7,HTR6,HTR2B,HTR3A,HTR3B,HTR1D,HTR1B,HTR5B,CYP3A4,SLC6A4,DRD3,ADORA3,CYP1A2,RECQL,TSHR,CHRM1,SLC18A2,NQO2,DRD2,HTR3C,HTR3D,H
TR3E,SLC6A3,DRD5,CYP2C9,ADRA1A,SLC22A3,SLC36A1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein","Ion channel",Transporter,"Cytochrome P450","Family A G protein-coupled receptor",Hydrolase,"Ligand-gated ion channel","Electrochemical transporte
r",Oxidoreductase,"Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","5HT3 receptor","Cytochrome P450 family 3","SLC superfamily of solute carriers
","Cytochrome P450 family 1","Cytochrome P450 family 2D","Monoamine receptor","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","SLC06 neurotransmitter transporter family","Nucleoti
de-like receptor (family A GPCR)","Cytochrome P450 family 1A","Glycohormone receptor","SLC18 family of vesicular amine transporters","Cytochrome P450 family 2C","SLC22 family of organic cation and ani
on transporters","SLC36 family of proton-coupled amino acid transporters","Cytochrome P450 2D6","Serotonin receptor","Neuropeptide receptor","Dopamine receptor","Cytochrome P450 3A4","Adenosine recept
or","Cytochrome P450 1A1","Acetylcholine receptor","Cytochrome P450 2C9","Adrenergic receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels",Transporters,"Cytochrome P450","G protein-coupled receptors","Ligand-gated ion channels","SLC superfamily of solute carriers","CYP2 family: drug metabolising subset",
"5-Hydroxytryptamine receptors","Neuropeptide S receptor","5-HT<sub>3</sub> receptors","Dopamine receptors","CYP3 family","SLC6 neurotransmitter transporter family","Adenosine receptors","CYP1 family"
,"Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","SLC18 family of vesicular amine transporters",Adrenoceptors,"SLC22 family of organic cation and anion transporters","SLC36 fam
ily of proton-coupled amino acid transporters","Monoamine transporter subfamily","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Neuronal System",Disease,"Transport of small molecules","Biological oxidations","Signaling by GPCR","Transmission across Chemical Synapses","Infectious disease","Met
abolism of lipids","Disorders of transmembrane transporters","SLC-mediated transmembrane transport","Phase I - Functionalization of compounds","GPCR ligand binding","Neurotransmitter receptors and pos
tsynaptic signal transmission","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter clearance","Neurotransmitter release cycle","SLC transporter disorde
rs","Transport of bile salts and organic acids","metal ions and amine compounds","Transport of inorganic cations/anions and amino acids/oligopeptides","Cytochrome P450 - arranged by substrate type","C
lass A/1 (Rhodopsin-like receptors)","Activation of NMDA receptors and postsynaptic events","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Serotonin clearance from the s
ynaptic cleft","Dopamine Neurotransmitter Release Cycle","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Organic cation/anion/zwitterion transport","Amino acid transport across the 
plasma membrane",Xenobiotics,"Amine ligand-binding receptors","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","Nu
cleotide-like (purinergic) receptors","Organic cation transport","CYP2E1 reactions","Serotonin receptors","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines produc
tion","Biosynthesis of maresin-like SPMs","Dopamine receptors","Adenosine P1 receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors",Adrenoce
ptors}

> <broad_targets>
{DRD1,DRD5,HTR1A,HTR1B,HTR1D,HTR1E,HTR1F,HTR2A,HTR2B,HTR2C,HTR3A,HTR3B,HTR4,HTR5A,HTR6,HTR7,SLC36A1}

> <broad_moa>
{"growth factor receptor activator"}

> <synonyms>
{"Serotonin hydrochloride",153-98-0,153980,"5-Hydroxytryptamine hydrochloride","5Hydroxytryptamine hydrochloride","Serotonin HCl","3-(2-aminoethyl)-1H-indol-5-ol hydrochloride","3(2aminoethyl)1Hindol5
ol hydrochloride","5-Hydroxytryptamine HCl","5Hydroxytryptamine HCl","1H-Indol-5-ol, 3-(2-aminoethyl)-, monohydrochloride","1HIndol5ol, 3(2aminoethyl), monohydrochloride",UNII-GKN429M9VS,UNIIGKN429M9V
S,T2209,Prestw-481}

> <pdid>
PD013329

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{160436,60209195,11469926}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    0.4297   -3.2479    0.0000 C   0  0
    1.2948   -3.7495    0.0000 C   0  0
    1.2916   -5.2495    0.0000 O   0  0
    2.5957   -3.0011    0.0000 C   0  0
    2.5990   -1.5003    0.0000 C   0  0
    3.8990   -0.7504    0.0000 C   0  0
    3.9040    0.7496    0.0000 C   0  0
    5.2054    1.4954    0.0000 C   0  0
    6.5020    0.7412    0.0000 C   0  0
    6.4972   -0.7588    0.0000 C   0  0
    5.1957   -1.5046    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -2.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  5 12  1  0
 12 13  2  3
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 22 12  1  0
 22 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12834

> <plate>
PLATE 024

> <well>
E4

> <supplier_cmpd_name>
Warfarin

> <ctcr_id>
6328

> <supplier_cmpd_id>
T0815

> <smiles>
CC(=O)CC(c1ccccc1)C2=C(O)c3ccccc3OC2=O

> <pd_targets>
{ALB,PCSK7,CYP2C9,HSD17B10,AMPC,KDM4E,ALD,ALDH1A1,VKORC1,KMT2A,MEN1}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,"Epigenetic regulator",Protease,"Cytochrome P450",Oxidoreductase,Hydrolase,Eraser,"Serine protease","Cytochrome P450 family 2","Lysine demethylase","Serine protease SB clan"
,"Cytochrome P450 family 2C","Jumonji domain-containing","Serine protease S8B subfamily","Cytochrome P450 2C9",Reader,Bromodomain}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","Cytochrome P450","Chromatin modifying enzymes","1.-.-.- Oxidoreductases","SB: Serine (S) Peptidases","CYP2 family: drug metabolising subset","1.14.11.- Histone d
emethylases","S8: Subtilisin"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biological oxidations","Metabolism of amino acids and derivatives","Metabolism of vitamins and cofactors","Metabolism of steroids","Phase I - Functionalization of c
ompounds","Branched-chain amino acid catabolism","Metabolism of fat-soluble vitamins","Bile acid and bile salt metabolism","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Metabolis
m of vitamin K","Recycling of bile acids and salts",Xenobiotics,"CYP2E1 reactions"}

> <broad_targets>
{VKORC1}

> <broad_moa>
{"vitamin K antagonist"}

> <synonyms>
{RESTW136,warfarin,Coumadin,81-81-2,81812,Coumafen,Coumafene,Prothromadin,Zoocoumarin,"Vampirinip II",Coumarins,Coumefene,Panwarfin,Warfarine,Brumolin,Dethmor,Dethnel,Kumader,Kypfarin,Maveran,Solfarin
,Kumadu,Rosex,Athrombine-K,AthrombineK,Frass-Ratron,FrassRatron,Mar-Frin,MarFrin,Rattentrae,T0815,T0815L,1500613,Prestw-1363,Warfarin,"Warfarin sodium",WARFARIN}

> <pdid>
PD001720

> <targets>
{}

> <classes>
{rodenticide,anticoagulant}

> <pubchem_cids>
{54678486}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  7  7  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12835

> <plate>
PLATE 024

> <well>
E5

> <supplier_cmpd_name>
4-Aminopyridine

> <ctcr_id>
4866

> <supplier_cmpd_id>
T0817

> <smiles>
Nc1ccncc1

> <pd_targets>
{TSHR,MAPT,LEF,KCNC2,KCNA1,KCNC1,LMNA,MAPK1,CYP2D6,KMT2A,MEN1,TRPV2,KCNB1,KCND2,KCNA5,KCNA7,KCNA2,KCNJ13,KCNA4,KCNC3,KCND1,KCND3,KCNB2,KCNA10,KCNA3,KCNA6,KCNC4,KCNF1,KCNG1,KCNG2,KCNG3,KCNG4,KCNH1,KCNH
2,KCNH3,KCNH4,KCNH5,KCNH6,KCNH7,KCNH8,KCNQ1,KCNQ2,KCNQ3,KCNQ4,KCNQ5,KCNS1,KCNS2,KCNS3,KCNV1,KCNV2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein","Ion channel","Other nuclear protein","Epigenetic regulator",Protease,"Family A G protein-coupled receptor","Voltage-gated ion channel",Kinase,"Cy
tochrome P450",Reader,"Cysteine protease","Peptide receptor (family A GPCR)","Metallo protease","Potassium channels","Protein Kinase","Cytochrome P450 family 2",Bromodomain,"Transient receptor potenti
al channel","Cysteine protease CA clan","Glycohormone receptor","Metallo protease MAE clan","Voltage-gated potassium channel","CMGC protein kinase group","Cytochrome P450 family 2D","Inwardly rectifyi
ng potassium channel","Cysteine protease C1A family","Metallo protease M34 family","CMGC protein kinase MAPK family","Cytochrome P450 2D6","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"G protein-coupled receptors","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Cytochrome P450","Glycoprotein hormone receptors","Potassium channels","CMGC: Conta
ining CDK",MAPK,GSK3,"CLK families","CYP2 family: drug metabolising subset","Transient Receptor Potential channels","Voltage-gated potassium channels","Mitogen-activated protein kinases (MAP kinases)"
,"Inwardly rectifying potassium channels","ERK subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System",Metabolism,"Cell Cycle","Immune System","Transport of small molecules","Muscle contraction","Infectious disease","Transmission across Chemical Synapses","Integration of ener
gy metabolism","Potassium Channels",Mitotic,"Innate Immune System","Biological oxidations","Ion channel transport","Cardiac conduction","Leishmania infection","Neurotransmitter receptors and postsynap
tic signal transmission","Uptake and actions of bacterial toxins","Regulation of insulin secretion","Voltage gated Potassium channels","M Phase","Toll-like Receptor Cascades","Phase I - Functionalizat
ion of compounds","Stimuli-sensing channels","Phase 1 - inactivation of fast Na+ channels","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Uptake and 
function of anthrax toxins","Glucagon-like Peptide-1 (GLP1) regulates insulin secretion","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate
 type","TRP channels","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane",Xenobi
otics,"ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","MAP kinase activation","CYP2E1 reactions","Initiation of N
uclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{KCNA1,KCNA10,KCNA2,KCNA3,KCNA4,KCNA5,KCNA6,KCNA7,KCNB1,KCNB2,KCNC1,KCNC2,KCNC3,KCNC4,KCND1,KCND2,KCND3,KCNF1,KCNG1,KCNG2,KCNG3,KCNG4,KCNH1,KCNH2,KCNH3,KCNH4,KCNH5,KCNH6,KCNH7,KCNH8,KCNJ13,KCNJ5,KCNQ1
,KCNQ2,KCNQ3,KCNQ4,KCNQ5,KCNS1,KCNS2,KCNS3,KCNV1,KCNV2}

> <broad_moa>
{"potassium channel blocker"}

> <synonyms>
{4-aminopyridine,4aminopyridine,504-24-5,504245,pyridin-4-amine,pyridin4amine,Fampridine,4-Pyridinamine,4Pyridinamine,Dalfampridine,4-Pyridylamine,4Pyridylamine,p-Aminopyridine,pAminopyridine,Avitrol,
4-AP,4AP,gamma-Aminopyridine,gammaAminopyridine,Ampyra,"Avitrol 200","Pyridine, 4-amino-","Pyridine, 4amino","Amino-4 pyridine","Amino4 pyridine","Pimadin (free base)","Compound 1861",T0817,1501130,4-
Aminopyridine,FAMPRIDINE}

> <pdid>
PD001882

> <targets>
{}

> <classes>
{"K channel blocker; multiple sclerosis therapy"}

> <pubchem_cids>
{1727}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    7.7808  -10.5183    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 13 18  1  0
 18 19  2  3
 19 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12836

> <plate>
PLATE 024

> <well>
E6

> <supplier_cmpd_name>
Nonoxynol

> <ctcr_id>
11329

> <supplier_cmpd_id>
T0824

> <smiles>
CCCCCCCCCC1=CC=C(OCCO)C=C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{2-(4-nonylphenoxy)ethanol,2(4nonylphenoxy)ethanol,Nonoxinol,2-(p-Nonylphenoxy)ethanol,2(pNonylphenoxy)ethanol,Nonoxynols,104-35-8,104358,NONOXYNOL,"Nonoxynol 10","Ethanol, 2-(4-nonylphenoxy)-","Ethan
ol, 2(4nonylphenoxy)","4-Nonyl Phenol Monoethoxylate","4Nonyl Phenol Monoethoxylate",NP-9,NP9,"Nonoxynol 4 (USAN)","Nonoxynol 15 (USAN)","Nonoxynol 30 (USAN)",12708,T0824,Nonoxynol}

> <pdid>
PD055504

> <targets>
{COX}

> <classes>
{Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{7700}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 24  0  0  0  0            999 V2000
   17.4595   -0.0200    0.0000 O   0  0
   14.9595   -0.0200    0.0000 O   0  0
   12.4595   -0.0200    0.0000 O   0  0
    9.9595   -0.0200    0.0000 K   0  3
    7.4595   -0.0200    0.0000 K   0  3
   -3.6666    2.8329    0.0000 O   0  5
   -3.6563    1.3330    0.0000 C   0  0
   -4.9504    0.5745    0.0000 O   0  0
   -2.3500    0.5900    0.0000 C   0  0
   -2.3500   -0.5400    0.0000 O   0  0
   -1.1700   -1.1900    0.0000 Sb  0  0
    0.0000   -0.6200    0.0000 O   0  0
    1.1800   -1.1900    0.0000 C   0  0
    2.3600   -0.5400    0.0000 C   0  0
    2.3600    0.5900    0.0000 O   0  0
    1.1800    1.1700    0.0000 Sb  0  0
    0.0000    0.5900    0.0000 O   0  0
   -1.1700    1.1700    0.0000 C   0  0
   -1.1700    2.2900    0.0000 C   0  0
   -2.2307    3.3507    0.0000 O   0  0
    1.1800    2.2900    0.0000 O   0  0
    3.6896   -1.2410    0.0000 C   0  0
    3.7480   -2.7399    0.0000 O   0  5
    4.9588   -0.4414    0.0000 O   0  0
    1.1800   -2.3300    0.0000 C   0  0
    2.2407   -3.3907    0.0000 O   0  0
   -1.1700   -2.3300    0.0000 O   0  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18  9  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 16  1  0
 14 22  1  0
 22 23  1  0
 22 24  2  0
 13 25  1  0
 25 26  2  0
 25 27  1  0
 27 11  1  0
M  CHG  4   4   1   5   1   6  -1  23  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12837

> <plate>
PLATE 024

> <well>
E7

> <supplier_cmpd_name>
Potassium antimonyl tartrate sesquihydrate

> <ctcr_id>
11330

> <supplier_cmpd_id>
T0831

> <smiles>
O.O.O.[K+].[K+].[O-]C(=O)C1O[Sb]2OC(C(O[Sb]3OC1C(=O)O3)C([O-])=O)C(=O)O2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SSTOXCID9,SSTOX-CID-9,"SSTOX CID 9","dipotassium bis(mu-tartrato(4-))diantimonate(2-) trihydrate","dipotassium bis(mutartrato(4))diantimonate(2) trihydrate","Potassium antimonyl tartrate sesquihydrat
e",DSSTox_CID_96,DSSToxCID96,DSSTox-CID-96,"DSSTox CID 96",DSSTox_RID_79431,DSSToxRID79431,DSSTox-RID-79431,"DSSTox RID 79431",DSSTox_GSID_39240,DSSToxGSID39240,DSSTox-GSID-39240,"DSSTox GSID 39240",T
ox21_202583,Tox21202583,Tox21-202583,"Tox21 202583",AKOS015912674,CCG-213511,CCG213511,NCGC00260132-01,NCGC0026013201,CAS-28300-74-5,CAS28300745,FT-0622433,FT0622433,C1134,T0831}

> <pdid>
PD000635

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{16682736}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12838

> <plate>
PLATE 024

> <well>
E8

> <supplier_cmpd_name>
Benzoic acid

> <ctcr_id>
5472

> <supplier_cmpd_id>
T0833

> <smiles>
COC(=O)Oc1ccccc1C(O)=O

> <pd_targets>
{HPGD,HSD17B10,KDM4E}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Oxidoreductase,Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Chromatin modifying enzymes","Prostaglandin synthases","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of amino acids and derivatives","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Biosynthesis of DHA-d
erived SPMs","Biosynthesis of D-series resolvins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"CARBONIC ACID, METHYL ESTER, ESTER with SALICYLIC ACID",UNII-UI6KKA249B,UNIIUI6KKA249B,"UNII UI6KKA249B",UI6KKA249B,"Benzoic acid, 2-((methoxycarbonyl)oxy)-","Benzoic acid, 2((methoxycarbonyl)oxy)",
"Benzoic acid","2 ((metho",211363,"METHOXYCARBONYLSALICYLIC ACID"}

> <pdid>
PD002126

> <targets>
{Bacterial,Endogenous Metabolite,Fungal}

> <classes>
{antiinflamation,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{26579}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 12  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  6
  5  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  1
  9 11  1  0
 11  2  1  0
 11 12  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12839

> <plate>
PLATE 024

> <well>
E9

> <supplier_cmpd_name>
Lindane

> <ctcr_id>
4200

> <supplier_cmpd_id>
T0854

> <smiles>
Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl

> <pd_targets>
{GABRB3,GABRA1,GABRB1,GABRR1,RDL,GABRA6,GABRG2,AR,823,298,382,338,688,000,RDL1,RDL2,RDL3,GLRA1,GLRA2,GLRA3,GLRB,LMNA,CYP3A4}

> <pathway_gtopdb>
{"Ion channel","Transcription factor","Other nuclear protein",Enzyme,"Ligand-gated ion channel","Nuclear receptor","Cytochrome P450","GABA-A receptor","Nuclear hormone receptor subfamily 3","Glycine r
eceptor","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 3 group C member 4","Cytochrome P450 3A4"}

> <pathway_chembl>
{"Ion channels",Receptors,Enzymes,"Ligand-gated ion channels","Nuclear hormone receptors","Cytochrome P450","GABA<sub>A</sub> receptors","Steroid hormone receptors","Glycine receptors","CYP3 family","
3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Neuronal System","Gene expression (Transcription)","Cell Cycle",Metabolism,"Transmission across Chemical Synapses","RNA Polymerase II Transcription",Mitotic,"Metabolism of lipids","Neurotransmitter 
receptors and postsynaptic signal transmission","Generic Transcription Pathway","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","GABA receptor activation","Transcriptional regula
tion by RUNX2","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","RUNX2 regulates bone development","Mitotic Anaphase","Biosynthesis of maresins","RUNX2 regulates osteoblast differen
tiation","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{lindane,beta-HCH,betaHCH,gamma-HCH,gammaHCH,"1,2,3,4,5,6-Hexachlorocyclohexane","1,2,3,4,5,6Hexachlorocyclohexane",alpha-HCH,alphaHCH,Hexachlorane,"Benzene hexachloride",gamma-BHC,gammaBHC,Kwell,58-8
9-9,58899,beta-BHC,betaBHC,BETA-HEXACHLOROCYCLOHEXANE,BETAHEXACHLOROCYCLOHEXANE,Hexicide,delta-HCH,deltaHCH,gamma-hexachlorocyclohexane,gammahexachlorocyclohexane,beta-Lindane,betaLindane,Aalindan,del
ta-BHC,deltaBHC,330071,LINDANE}

> <pdid>
PD002551

> <targets>
{JAK2}

> <classes>
{insecticide}

> <pubchem_cids>
{727}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    2.2090   -0.3353    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8972    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    2.7095   -0.7710    0.0000 O   0  0
    3.4182   -2.8395    0.0000 C   0  0
    2.9720   -4.2725    0.0000 C   0  0
    3.9887   -5.3754    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12  6  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15  5  1  0
 15 16  1  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19  2  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12840

> <plate>
PLATE 024

> <well>
E10

> <supplier_cmpd_name>
Altrenogest

> <ctcr_id>
4894

> <supplier_cmpd_id>
T0870

> <smiles>
CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(O)CC=C

> <pd_targets>
{FFP}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{PGR}

> <broad_moa>
{"progestogen hormone"}

> <synonyms>
{850-52-2,850522,NCGC00183119-01,NCGC0018311901,SCHEMBL3875096,CHEMBL2138313,AKOS015896699,DB-056845,DB056845,FT-0661535,FT0661535,T0870,S3167,Altrenogest}

> <pdid>
PD000329

> <targets>
{"Estrogen/progestogen Receptor"}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{13324}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  8  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12841

> <plate>
PLATE 024

> <well>
E11

> <supplier_cmpd_name>
Resorcine

> <ctcr_id>
558

> <supplier_cmpd_id>
T0931

> <smiles>
Oc1cccc(O)c1

> <pd_targets>
{ALDH1A1,HSD17B10,CA2,CA9,CA14,PTGS1,RORC,CA12,CA13,CA5B,CYP3A4,CA5A,LMNA}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other nuclear protein",Oxidoreductase,Lyase,"Nuclear receptor","Cytochrome P450","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Nuclear hormone rece
ptor subfamily 1 group F","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Carbonic anhydrases","Eicosanoid turnover","Nuclear hormone receptors","Cytochrome P450",Cyclooxygenase,"1F. Retinoic acid-related orphans","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Cellular responses to external stimuli","Gene expression (Transcription)","Cell Cycle","Biological oxidations","Metabolism of amino acids and derivatives","
O2/CO2 exchange in erythrocytes","Cellular responses to stress","Reversible hydration of carbon dioxide","Metabolism of lipids","RNA Polymerase II Transcription",Mitotic,"Phase I - Functionalization o
f compounds","Branched-chain amino acid catabolism","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","Fatty acid metabolism","Generic Transcription Pathway","Bio
synthesis of specialized proresolving mediators (SPMs)","M Phase","Ethanol oxidation","Regulation of gene expression by Hypoxia-inducible Factor","Arachidonic acid metabolism","Transcriptional regulat
ion by RUNX3","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","RUNX3 Regulates Immune Response and Cell Migration","Biosynt
hesis of maresins","Mitotic Anaphase","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CA12,CA14,CA2,PTGS1}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{resorcinol,108-46-3,108463,"1,3-Benzenediol","1,3Benzenediol","benzene-1,3-diol","benzene1,3diol",Resorcin,"1,3-Dihydroxybenzene","1,3Dihydroxybenzene",m-Hydroquinone,mHydroquinone,m-Hydroxyphenol,mH
ydroxyphenol,3-Hydroxyphenol,3Hydroxyphenol,m-Dihydroxybenzene,mDihydroxybenzene,Resorcine,m-Dioxybenzene,mDioxybenzene,m-Benzenediol,mBenzenediol,Dihydroxybenzol,Resorzin,"Developer O",Developer,T093
1,1500527,RESORCINOL}

> <pdid>
PD001765

> <targets>
{}

> <classes>
{antiseborheic,keratolytic}

> <pubchem_cids>
{5054}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 11  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0  2  0  0  0
    5.2000    0.0000    0.0000 N   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    7.7992    0.0004    0.0000 O   0  0
    3.9031    2.2508    0.0000 C   0  0
    2.6053    3.0031    0.0000 O   0  0
    5.2032    2.9990    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  5 10  1  0
 10 11  1  0
 10 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12842

> <plate>
PLATE 024

> <well>
F2

> <supplier_cmpd_name>
Acetylleucine

> <ctcr_id>
6990

> <supplier_cmpd_id>
T1387

> <smiles>
CC(C)C[C@H](NC(C)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{RESTW89,N-Acetyl-L-leucine,NAcetylLleucine,1188-21-2,1188212,acetyl-L-leucine,acetylLleucine,Ac-Leu-OH,AcLeuOH,N-Acetylleucine,NAcetylleucine,L-Acetylleucine,LAcetylleucine,"(S)-2-Acetamido-4-methylp
entanoic acid","(S)2Acetamido4methylpentanoic acid","Leucine, N-acetyl-","Leucine, Nacetyl",N-acetyl-leucine,Nacetylleucine,"Leucine, N-acetyl-, L-","Leucine, Nacetyl, L","(S)-2-Acetylamino-4-methyl-p
entanoic acid","(S)2Acetylamino4methylpentanoic acid",n-acetyl,nacetyl,T1387,T4798,Prestw-896,Acetylleucine}

> <pdid>
PD001441

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{70912}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  7  0  0  0  0            999 V2000
   10.2999    1.1254    0.0000 Cl  0  0
    3.9000    2.2500    0.0000 C   0  0
    3.9000    0.7500    0.0000 N   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 Cl  0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 Cl  0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
  8  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12843

> <plate>
PLATE 024

> <well>
F3

> <supplier_cmpd_name>
Mechlorethamine hydrochloride

> <ctcr_id>
15978

> <supplier_cmpd_id>
T1417

> <smiles>
Cl.CN(CCCl)CCCl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Mechlorethamine hydrochloride",HY-B1253,"Chlormethine (hydrochloride)","Chlormethine (hydrochloride)"}

> <pdid>
PD001913

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
.

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  1  0            999 V2000
    1.0255   -3.6140    0.0000 N   0  0
    1.6332   -2.2426    0.0000 C   0  0
    3.1247   -2.0836    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -2.6408    0.8580    0.0000 C   0  0  2  0  0  0
   -3.7580   -0.1251    0.0000 O   0  0
   -5.0368    0.6589    0.0000 C   0  0  2  0  0  0
   -6.4199    0.0830    0.0000 C   0  0
   -6.6139   -1.4044    0.0000 O   0  0
   -4.6863    2.1174    0.0000 C   0  0  1  0  0  0
   -5.6602    3.2582    0.0000 O   0  0
   -3.1909    2.2347    0.0000 C   0  0  1  0  0  0
   -2.3989    3.5086    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  6
 11 12  1  0
 10 13  1  0
 13 14  1  1
 13 15  1  0
 15  8  1  0
 15 16  1  1
  7 17  1  0
 17  4  2  0
 17 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12844

> <plate>
PLATE 024

> <well>
F4

> <supplier_cmpd_name>
AICAR (Acadesine)

> <ctcr_id>
7173

> <supplier_cmpd_id>
T1477

> <smiles>
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N

> <pd_targets>
{KDM4E,MAPT}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{"AMPK activator"}

> <synonyms>
{ACADESINE,2627-69-2,2627692,AICAR,AICA-riboside,AICAriboside,Arasine,"AICA riboside",AIC-Riboside,AICRiboside,Acadesina,Acadesinum,"AICAR (Acadesine)",Protara,GP-1-110,GP1110,5-Amino-1-beta-D-ribofur
anosylimidazole-4-carboxamide,5Amino1betaDribofuranosylimidazole4carboxamide,UNII-53IEF47846,UNII53IEF47846,C9H14N4O5,5-Amino-1-beta-D-ribofuranosyl,5Amino1betaDribofuranosyl,S1802,Acadesine}

> <pdid>
PD000587

> <targets>
{AMPK}

> <classes>
{}

> <pubchem_cids>
{17513}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 19  0  0  1  0            999 V2000
    7.6943   -0.0061    0.0000 Cl  0  0
    1.2948   -3.7516    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 Cl  0  0
   -2.6061    2.9986    0.0000 C   0  0
   -3.9082    3.7448    0.0000 C   0  0
   -3.9139    5.2448    0.0000 Cl  0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 11 15  1  0
 15 16  1  0
 16 17  1  0
  3 18  1  0
 18 19  1  0
 18 20  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12845

> <plate>
PLATE 024

> <well>
F5

> <supplier_cmpd_name>
Melphalan

> <ctcr_id>
2430

> <supplier_cmpd_id>
T1538

> <smiles>
Cl.N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O

> <pd_targets>
{HIF1A,ALOX15,CYP3A4,ALDH1A1,ABCB11,SLC7A5,TGR,FFP,KDM4E,KMT2A,MEN1,LMNA,MAPT,PMP22}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transporter,"Epigenetic regulator","Other nuclear protein","Other cytosolic protein","Unclassified protein",Oxidoreductase,"Cytochrome P450","Primary active transporter"
,"Electrochemical transporter",Transferase,Eraser,Reader,"Cytochrome P450 family 3","ATP-binding cassette","SLC superfamily of solute carriers","Lysine demethylase",Bromodomain,"Cytochrome P450 family
 3A","ABCB subfamily","SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)","Jumonji domain-containing","Cytochrome P450 3A4","SLC07 Cationic amino acid transporter/glycoprotein-ass
ociated family"}

> <pathway_chembl>
{Enzymes,Transporters,"Eicosanoid turnover","Cytochrome P450","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Chromatin modifying enzymes",Lipoxygenases,"CYP3 family","
ABCB subfamily","SLC3 and SLC7 families of heteromeric amino acid transporters (HATs)","1.14.11.- Histone demethylases","SLC7 family"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"Transport of small molecules","Cell Cycle","Neuronal System","Developmental Biology","Cellular responses to stress","Metabolism of lipids","Biolog
ical oxidations","SLC-mediated transmembrane transport",Mitotic,"Transmission across Chemical Synapses","Nervous system development","Cellular response to hypoxia","Biosynthesis of specialized proreso
lving mediators (SPMs)","Phase I - Functionalization of compounds","Metabolism of steroids","Transport of inorganic cations/anions and amino acids/oligopeptides","M Phase","Neurotransmitter receptors 
and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DPA-d
erived SPMs","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Bile acid and bile salt metabolism","Amino acid transport across the plasma membrane","Mitotic Metaphase and Anaphase","Activation 
of NMDA receptors and postsynaptic events","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresins","Synthesis of bile acids and bile salts","Mitotic Anaphase","Post NMDA receptor activation events","
Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of maresin-like SPMs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","
Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA alkylating agent","DNA inhibitor"}

> <synonyms>
{"Melphalan hydrochloride","Melphalan HCl",3223-07-2,3223072,"CB 3025 hydrochloride","L-Sarcolysine hydrochloride","LSarcolysine hydrochloride",UNII-1VXP4V453T,UNII1VXP4V453T,1VXP4V453T,"Phenylalanine
 mustard hydrochloride","L-Phenylalanine mustard hydrochloride","LPhenylalanine mustard hydrochloride","148-82-3 (HCl)","148823 (HCl)",T1538,8806,"NSC 8806",Melphalan}

> <pdid>
PD001871

> <targets>
{}

> <classes>
{"Alkylating agent"}

> <pubchem_cids>
{9927978,24832839}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  5  4  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 N   0  0
    1.3000    0.7500    0.0000 Pt  0  0
    1.3000   -0.7500    0.0000 N   0  0
    0.0007    0.0004    0.0000 Cl  0  0
    2.5993    0.0004    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12846

> <plate>
PLATE 024

> <well>
F6

> <supplier_cmpd_name>
Cisplatin

> <ctcr_id>
1976

> <supplier_cmpd_id>
T1564

> <smiles>
N[Pt](N)(Cl)Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{XIAP}

> <broad_moa>
{"DNA alkylating agent","DNA synthesis inhibitor"}

> <synonyms>
{"azanide; dichloroplatinum(2+)","azanide; bis(chloranyl)platinum(2+)",FT-0623946,FT0623946,A809760,AKOS027470117,cis-Diaminedichloroplatinum,cisDiaminedichloroplatinum,cis-Diamminedichlorplatine,cisD
iamminedichlorplatine,"cis-Dichlorodiamine platinum","cisDichlorodiamine platinum","Platinum, diamminedichloro-","Platinum, diamminedichloro",azanide;dichloroplatinum,119875,NSC119875,S1166,"NSC 11987
5
NSC 119875",Cisplatin}

> <pdid>
PD021732

> <targets>
{DNA/RNA Synthesis,Autophagy,DNA Alkylator/Crosslinker,Ferroptosis}

> <classes>
{DNA Damage,Radiation-Sensitizing Agents,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{24191118,86820626,2767}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  2  1  0
  8  9  1  0
  7 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12847

> <plate>
PLATE 024

> <well>
F7

> <supplier_cmpd_name>
Deferidone

> <ctcr_id>
2846

> <supplier_cmpd_id>
T1565

> <smiles>
CN1C=CC(=O)C(=C1C)O

> <pd_targets>
{KDM4E,DOHH,FFP,ALD}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Oxidoreductase,Transferase,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification","Gamma carboxylation","hypusine formation and arylsulfatase activation","Hypusine synthesis from eIF5A-lysine"}

> <broad_targets>
{UGT1A6}

> <broad_moa>
{"chelating agent"}

> <synonyms>
{deferiprone,30652-11-0,30652110,"3-Hydroxy-1,2-dimethyl-4(1H)-pyridone","3Hydroxy1,2dimethyl4(1H)pyridone",Ferriprox,"3-hydroxy-1,2-dimethylpyridin-4(1H)-one","3hydroxy1,2dimethylpyridin4(1H)one",CP2
0,"1,2-dimethyl-3-hydroxy-4-pyridone","1,2dimethyl3hydroxy4pyridone","1,2-Dimethyl-3-hydroxypyrid-4-one","1,2Dimethyl3hydroxypyrid4one","1,2-Dimethyl-3-hydroxypyridine-4-one","1,2Dimethyl3hydroxypyrid
ine4one",4(1H)-Pyri,4(1H)Pyri,T1565,SAM001247015,Deferidone,CPD000059136}

> <pdid>
PD001143

> <targets>
{Ferroptosis,HCV}

> <classes>
{Anti-infection,Apoptosis}

> <pubchem_cids>
{2972}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
 18 19  1  0
 19  8  1  0
 19 20  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12848

> <plate>
PLATE 024

> <well>
F8

> <supplier_cmpd_name>
Genistein

> <ctcr_id>
2985

> <supplier_cmpd_id>
T1737

> <smiles>
Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O

> <pd_targets>
{ALDH1A1,TSHR,SMN1,PMP22,MAPT,CYP2C19,ALOX15,AKR1B1,SLC2A1,MAOA,ESR2,XDH,PYK,MAPK1,NPC1,ESR1,MAL32,EGFR,ABL1,MGAM,ADORA2A,ADORA1,ESRRA,PTGS1,HPGD,TP53,CYP1A2,HSD17B3,HSD17B2,POL,MAOB,MAPK14,DPP3,SRC,N
A,ESRRB,LMNA,SYK,CYP3A4,AOX1,PFMRK,AR,CFTR,ABCB1,KMT2A,MEN1,RAB9A,HIF1A,LEF,THPO,PSMB5,ODC1,DAPK1,NANH,FABZ,TDP1,SHBG,DPP4,FTL,PKM,PRKCA,POLB,RORC,SLCO1B1,DNMT1,CACNA1C,NR1H2,CYP19A1,ABCG2,SLC2A4,NR1H
3,HTR2A,SLC6A3,SLCO1B3,BMX,HSD17B1,HTR2C,TBXAS1,STAT3,FYN,TRPC5,ESRRG}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Unclassified protein","Other cytosolic protein",Transporter,"Transcription factor","Other nuclear protein","Ion channel","Secreted protein",Oxidored
uctase,"Family A G protein-coupled receptor",Reader,"Cytochrome P450",Protease,"Electrochemical transporter","Nuclear receptor",Transferase,Kinase,Hydrolase,"Other ion channel","Primary active transpo
rter",Lyase,Writer,"Voltage-gated ion channel","Peptide receptor (family A GPCR)","Methyl-lysine/arginine binding protein","Cytochrome P450 family 2","Cysteine protease","SLC superfamily of solute car
riers","Nuclear hormone receptor subfamily 3","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Metallo protease","Cytochrome P450 family 3","Chloride channel","AT
P-binding cassette",Bromodomain,"Threonine protease","Serine protease","Nuclear hormone receptor subfamily 1","DNA methyltransferase","Voltage-gated calcium channel","Cytochrome P450 family 19","Cytoc
hrome P450 family 5","Transient receptor potential channel","Glycohormone receptor","Tudor domain","Cytochrome P450 family 2C","Cysteine protease CA clan","SLC02 family of hexose and sugar alcohol tra
nsporters","Nuclear hormone receptor subfamily 3 group A","CMGC protein kinase group","TK protein kinase group","Nucleotide-like receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group B
","Cytochrome P450 family 1A","Metallo protease MAE clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 3 group C","Cystic fibrosis transmembrane conductance regulator","ABCB subfami
ly","Threonine protease PBT clan","CAMK protein kinase group","Serine protease SC clan","AGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","SLC21/SLCO family of organic anion tr
ansporting polypeptides","Nuclear hormone receptor subfamily 1 group H","Cytochrome P450 family 19A","ABCG subfamily","Monoamine receptor","SLC06 neurotransmitter transporter family","Cytochrome P450 
family 5A","Cytochrome P450 2C19","Cysteine protease C1A family","Nuclear hormone receptor subfamily 3 group A member 2","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 3 group A
 member 1","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Abl family","Adenosine receptor","Nuclear hormone receptor subfamily 3 group B member 1","Cytochrome P450 1A1","Metallo protea
se M49 family","Tyrosine protein kinase Src family","Nuclear hormone receptor subfamily 3 group B member 2","Tyrosine protein kinase Syk family","Cytochrome P450 3A4","CMGC protein kinase CDK family",
"Nuclear hormone receptor subfamily 3 group C member 4","Metallo protease M34 family","Threonine protease T1A subfamily","CAMK protein kinase DAPK family","Serine protease S9B subfamily","AGC protein 
kinase PKC family","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group H member 3","Cytochrome P450 19A1","Serotonin receptor","Tyrosine protein kinase 
Tec family","Cytochrome P450 5A1","Nuclear hormone receptor subfamily 3 group B member 3","CMGC protein kinase ERK1","CMGC protein kinase p38 subfamily","AGC protein kinase PKC alpha subfamily","Tyros
ine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","Other protein targets","G protein-coupled receptors","Cytochrome P450","Eicosanoid turnover","1.-.-.- Oxidoreductases","SLC superfamily of solute carrie
rs","Catecholamine turnover","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Catalytic receptors","3.2.1.- Glycosidases","Peptidases and proteinases","Other ion channels","ATP-binding cassette tra
nsporter family","Carboxylases and decarboxylases","2.7.1.40 Pyruvate kinases","2.1.1.- Methyltransferases","Voltage-gated ion channels","Transcription factors","Glycoprotein hormone receptors","CYP2 
family: drug metabolising subset",Lipoxygenases,"SLC2 family of hexose and sugar alcohol transporters","Steroid hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC65 NPC-type chole
sterol transporters","Receptor kinases","Adenosine receptors","3B. Estrogen-related receptors",Cyclooxygenase,"Prostaglandin synthases","CYP1 family","MA: Metallo (M) Peptidases","CYP3 family","Chlori
de channels","ABCB subfamily","PB: Threonine (T) Peptidases",Decarboxylases,"CAMK: Calcium/calmodulin-dependent protein kinases","SC: Serine (S) Peptidases","AGC: Containing PKA",PKG,"PKC families","1
F. Retinoic acid-related orphans","SLCO family of organic anion transporting polypeptides","Voltage-gated calcium channels","1H. Liver X receptor-like receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 fam
ilies","ABCG subfamily","5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family",CYP5,"CYP7 and CYP8 families","STAT transcription factors","Transient Receptor Potential channels","C
lass I transporters","3A. Estrogen receptors","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","M49: Dipeptidyl-peptidase III","3C. 3-Ketosteroid receptors",CFTR,"T1: Proteasome
","Death-associated kinase (DAPK) family","S9: Prolyl oligopeptidase","Protein kinase C (PKC) family","Monoamine transporter subfamily","ERK subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor
 tyrosine kinases (nRTKs)","p38 subfamily","Delta subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Src family","Syk family","Tec family"}

> <pathway_reactome>
{Metabolism,Disease,"Metabolism of RNA","Developmental Biology","Neuronal System","Signal Transduction","Immune System","Transport of small molecules","Gene expression (Transcription)","Digestion and 
absorption","Cell Cycle",Autophagy,"Cellular responses to external stimuli",Hemostasis,"Programmed Cell Death","DNA Repair","Metabolism of proteins","Vesicle-mediated transport","Biological oxidations
","Infectious disease","Metabolism of non-coding RNA","Nervous system development","Transmission across Chemical Synapses","Metabolism of lipids","Disorders of transmembrane transporters","Intracellul
ar signaling by second messengers","Metabolism of nucleotides","Innate Immune System","Plasma lipoprotein assembly",remodeling,"and clearance","RNA Polymerase II Transcription","Signaling by GPCR",Dig
estion,"Cell Cycle Checkpoints","Signaling by Receptor Tyrosine Kinases",Mitotic,"Metabolism of vitamins and cofactors",Macroautophagy,"Abacavir transport and metabolism","Signaling by Rho GTPases","C
ellular responses to stress","Platelet activation","signaling and aggregation","Metabolism of amino acids and derivatives",Apoptosis,"DNA Double-Strand Break Repair","Peptide hormone metabolism","Memb
rane Trafficking","Metabolism of carbohydrates","Base Excision Repair","Post-translational protein modification","SLC-mediated transmembrane transport","Diseases of signal transduction by growth facto
r receptors and second messengers","Phase I - Functionalization of compounds","Leishmania infection","snRNP Assembly","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Neurotransmitter
 receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","SLC transporter disorders","PIP3 activates AKT signaling","Nucleo
base catabolism","Toll-like Receptor Cascades","Plasma lipoprotein clearance","Generic Transcription Pathway","GPCR downstream signalling","Digestion of dietary carbohydrate","GPCR ligand binding","Fa
tty acid metabolism","G1/S DNA Damage Checkpoints","Signaling by NTRKs","Influenza Infection","M Phase","Metabolism of water-soluble vitamins and cofactors","Selective autophagy","Abacavir transmembra
ne transport","Rho GTPase cycle","Cellular response to hypoxia","Uptake and actions of bacterial toxins","Platelet Aggregation (Plug Formation)","Regulation of mitotic cell cycle","Metabolism of polya
mines","Caspase activation via extrinsic apoptotic signalling pathway","Nonhomologous End-Joining (NHEJ)","Incretin synthesis",secretion,"and inactivation","trans-Golgi Network Vesicle Budding","Gluco
se metabolism","Resolution of Abasic Sites (AP sites)",SUMOylation,"Axon guidance","Cellular hexose transport","Phospholipid metabolism","Signaling by FGFR in disease","HIV Infection","Ethanol oxidati
on","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged by substrate type","Biosynthesis of DPA-derived SPMs","Metabolism of st
eroid hormones","Defective SLC2A1 causes GLUT1 deficiency syndrome 1 (GLUT1DS1)","Amine Oxidase reactions","Negative regulation of the PI3K/AKT network","Purine catabolism","Toll Like Receptor 5 (TLR5
) Cascade","LDL clearance","Transcriptional regulation by RUNX1","G alpha (q) signalling events","Parasite infection","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX2","Arac
hidonic acid metabolism","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Fatty acyl-CoA biosynthesis","Signaling by NTRK1 (TRKA)","Virus Assembly and Release","Nuclear R
eceptor transcription pathway","Mitotic Metaphase and Anaphase","Vitamins B6 activation to pyridoxal phosphate",Aggrephagy,"RHOBTB GTPase Cycle","Oxygen-dependent proline hydroxylation of Hypoxia-indu
cible Factor Alpha","Uptake and function of anthrax toxins","APC/C-mediated degradation of cell cycle proteins","Regulation of ornithine decarboxylase (ODC)","Caspase activation via Dependence Recepto
rs in the absence of ligand",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Golgi Associated Vesicle Biogenesis",Glycolysis,"G alpha (i) signalling events","Resolution of AP sites vi
a the multiple-nucleotide patch replacement pathway","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","SUMO E3 ligases SUMOylate target proteins","NCAM signaling for neurite 
out-growth","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","PI Metabolism","Signaling by FGFR1 in disease","Host Interactions of HIV factors","Netrin-1 signaling","Anti-inflammatory
 response favouring Leishmania parasite infection","Post NMDA receptor activation events",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","Pregnenolone biosynthesis","Biogenic amines are oxidatively deamina
ted to aldehydes by MAOA and MAOB",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MyD88 cascade initiated on plasma membrane","RUNX1 regulates estrogen receptor mediated transcription","Gastrin-CRE
B signalling pathway via PKC and MAPK","Leishmania phagocytosis","Nucleotide-like (purinergic) receptors","Regulation of RUNX2 expression and activity","Synthesis of Prostaglandins (PG) and Thromboxan
es (TX)","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","Synthesis of very long-chain fatty acyl-CoAs","Estrogen biosynthesis","Signalling to ERKs","Assembly of Viral Comp
onents at the Budding Site","Mitotic Anaphase","Biosynthesis of maresins","RUNX2 regulates bone development","RHOBTB3 ATPase cycle","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic
 proteins","Visual phototransduction","PCNA-Dependent Long Patch Base Excision Repair","RUNX3 Regulates Immune Response and Cell Migration","Recycling of bile acids and salts","SUMOylation of DNA meth
ylation proteins","NCAM1 interactions","SUMOylation of intracellular receptors","Endogenous sterols","Amine ligand-binding receptors","Synthesis of PIPs at the plasma membrane",Eicosanoids,"FGFR1 muta
nt receptor activation","The role of Nef in HIV-1 replication and disease pathogenesis","Role of second messengers in netrin-1 signaling","ADORA2B mediated anti-inflammatory cytokines production","Act
ivation of AMPK downstream of NMDARs","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytos
is","Adenosine P1 receptors","Stabilization of p53","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Signalling to RAS","Transport of HA trimer","NA tetramer and M2 tetramer from th
e endoplasmic reticulum to the Golgi Apparatus","Nuclear Envelope (NE) Reassembly","FCGR3A-mediated IL10 synthesis","Biosynthesis of maresin-like SPMs","RUNX2 regulates osteoblast differentiation","AP
C/C:Cdc20 mediated degradation of mitotic proteins","The phototransduction cascade","Serotonin receptors","The canonical retinoid cycle in rods (twilight vision)","Signaling by cytosolic FGFR1 fusion 
mutants","Nef and signal transduction","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","p38MAPK events","Initiation of Nuclear Envelope (NE) Re
formation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint",Inactivation,"recovery and regulation of the phototransduction cascade","ERK/MAPK t
argets","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
{CFTR,ESR1,ESR2,ESRRA,ESRRB,ESRRG,NCOA1,NCOA2,PPARG,PTK2B,TOP2A,TRPC5}

> <broad_moa>
{"tyrosine kinase inhibitor"}

> <synonyms>
{genistein,446-72-0,446720,Prunetol,"4',5,7-Trihydroxyisoflavone","4',5,7Trihydroxyisoflavone",Genisterin,Genisteol,Sophoricol,"5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one","5,7dihydroxy3(4hydr
oxyphenyl)4Hchromen4one","5,7,4'-Trihydroxyisoflavone","5,7,4'Trihydroxyisoflavone",Bonistein,"Differenol A",5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one,7dihydroxy3(4hydroxyphenyl)chromen4one,T1737
,NSC36586,1110,210296,EI-147,"NSC 36586",Genistein,GENISTEIN}

> <pdid>
PD002146

> <targets>
{EGFR,"Tyrosine Kinases",Apoptosis,Autophagy,"Endogenous Metabolite"}

> <classes>
{Apoptosis,Autophagy,JAK/STAT Signaling,Metabolic Enzyme/Protease,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{5280961}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.5876   -5.9994    0.0000 O   0  0
    3.8889   -5.2533    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    3.9015    0.7475    0.0000 O   0  0
    5.1969   -1.5045    0.0000 C   0  0
    6.4971   -0.7566    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4924   -3.7566    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 C   0  0
    0.0042   -5.9990    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10  3  1  0
 10 11  1  0
  5 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 13  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  2  0
 30 12  1  0
 30 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12849

> <plate>
PLATE 024

> <well>
F9

> <supplier_cmpd_name>
Aloin

> <ctcr_id>
5536

> <supplier_cmpd_id>
T2742

> <smiles>
OCC1OC(C(O)C(O)C1O)C2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24

> <pd_targets>
{EPHX2}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease SC clan","Serine protease S33 family"}

> <pathway_chembl>
{Enzymes,Hydrolases}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins"}

> <broad_targets>
{}

> <broad_moa>
{"angiogenesis inhibitor"}

> <synonyms>
{aloin,"Aloin A",Ugandaloin,Cafaloin,Jafaloin,Socaloin,Aloin-B;Isobarbaloin,AloinB;Isobarbaloin,8015-61-0,8015610,Aloinum,NSC227189,NSC407305,20226-90-8,20226908,"Aloin (BAN)",NSC374116,NSC374117,NSC6
31263,"ALOINE A","ALOINE B","10-(1',5'-Anhydroglucosyl)aloe-emodin-9-anthrone","10(1',5'Anhydroglucosyl)aloeemodin9anthrone","Aloin (",S2375,Aloin}

> <pdid>
PD001478

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{313325}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    4.8089   -4.6669    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0  1  0  0  0
    2.7343   -2.9815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0  2  0  0  0
    3.9511   -0.8815    0.0000 C   0  0  1  0  0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 C   0  0  2  0  0  0
    6.4451   -1.8434    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  2  1  0
  7  8  1  6
  4  9  1  1
  9 10  1  0
 10 11  2  3
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16  9  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12850

> <plate>
PLATE 024

> <well>
F10

> <supplier_cmpd_name>
Doxifluridine

> <ctcr_id>
7822

> <supplier_cmpd_id>
T1600

> <smiles>
C[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O

> <pd_targets>
{PMP22,LMNA,MAPT,HBB}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein","Other cytosolic protein","Secreted protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","Neuronal System","Immune System","Nervous system development",Mitotic,"Transmission across Chemical Synapses","Innate Immune System","EGR2 and SOX10-mediated ini
tiation of Schwann cell myelination","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Neutrophil degranulation","Mitotic Metaphase and Anaphase","Activation of NMDA recepto
rs and postsynaptic events","Mitotic Anaphase","Post NMDA receptor activation events","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) 
Reformation"}

> <broad_targets>
{TYMS}

> <broad_moa>
{"thymidylate synthase inhibitor"}

> <synonyms>
{SCHEMBL4932137,CHEMBL3250640,ZINC3830727,SW220237-1,SW2202371,S2045,Doxifluridine}

> <pdid>
PD001461

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{7048664}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    6.3990   -1.1250    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 N   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  4  1  0
 13  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12851

> <plate>
PLATE 024

> <well>
F11

> <supplier_cmpd_name>
Hydralazine hydrochloride

> <ctcr_id>
944

> <supplier_cmpd_id>
T1613

> <smiles>
Cl.N\N=C\1/N=NC=C2C=CC=CC12

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CHEMBL1200677,AKOS006238834,"1-Hydrazinophthalazine Hydrochloride, 98","1Hydrazinophthalazine Hydrochloride, 98","1 Hydrazinophthalazine Hydrochloride, 98","1-Hydrazono-1,8a-dihydrophthalazine hydroc
hloride","1Hydrazono1,8adihydrophthalazine hydrochloride","1 Hydrazono 1,8a dihydrophthalazine hydrochloride",1218900-67-4,1218900674,"1218900 67 4",Prestw-169,"Hydralazine hydrochloride"}

> <pdid>
PD013231

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{45052524}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 24  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 I   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 O   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -5.1851   -3.0091    0.0000 I   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 I   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2570    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
  8 18  1  0
 18 19  1  0
 18 20  2  0
 20  4  1  0
  2 21  1  0
 21 22  1  0
 21 23  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12852

> <plate>
PLATE 024

> <well>
G2

> <supplier_cmpd_name>
Lyothyronine

> <ctcr_id>
1088

> <supplier_cmpd_id>
T1653

> <smiles>
N[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O

> <pd_targets>
{THRA,CYP2D6,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,TSHR,THRB,LMNA,LEF,HIF1A,USP2,TGR,ALDH1A1,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,G
ABRP,GABRQ,NPSR1,ABCB11,PCNA,KMT2A,MEN1,MAPT,ALOX12,POLB,BLM,MCL1,RORC,HPGD,L3MBTL1,AMPC,SLCO1A4,SLCO1C1,ADORA1,HSD17B10}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Ion channel","Membrane receptor","Other nuclear protein",Transporter,"Epigenetic regulator","Other cytosolic protein","Nuclear receptor","Cytochrome P450","Ligand-gated
 ion channel","Family A G protein-coupled receptor",Protease,Oxidoreductase,"Primary active transporter",Reader,Hydrolase,"Electrochemical transporter","Nuclear hormone receptor subfamily 1","Cytochro
me P450 family 2","Ionotropic glutamate receptor","Peptide receptor (family A GPCR)","Metallo protease","Cysteine protease","GABA-A receptor","ATP-binding cassette",Bromodomain,"Methyl-lysine/arginine
 binding protein","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group A","Cytochrome P450 family 2D","NMDA receptor","Glycohormon
e receptor","Metallo protease MAE clan","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F","MBT domain","SLC21/SLCO fa
mily of organic anion transporting polypeptides","Nucleotide-like receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group A member 1","Cytochrome P450 2D6","Nuclear hormone receptor subf
amily 1 group A member 2","Metallo protease M34 family","Cysteine protease C19 family","Cysteine protease C1A family","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3","A
denosine receptor"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Other protein targets","Nuclear hormone receptors","Cytochrome P450","G protein-coupled receptors","Peptidases and proteinases","ATP-binding cassette transporter famil
y","Eicosanoid turnover","B-cell lymphoma 2 (Bcl-2) protein family","SLC superfamily of solute carriers","1A. Thyroid hormone receptors","CYP2 family: drug metabolising subset","Glycoprotein hormone r
eceptors","CA: Cysteine (C) Peptidases","Neuropeptide S receptor","ABCB subfamily",Lipoxygenases,"1F. Retinoic acid-related orphans","Prostaglandin synthases","SLCO family of organic anion transportin
g polypeptides","Adenosine receptors","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,Disease,"Cell Cycle","Cellular responses to external stimuli","Gene expression (Transcription)","Neuronal System","DNA Repair","Immune System","Transport of small 
molecules","Signal Transduction","Post-translational protein modification","Biological oxidations","Infectious disease",Mitotic,"Cellular responses to stress","RNA Polymerase II Transcription","Metabo
lism of lipids","Chromosome Maintenance","Transmission across Chemical Synapses","Base Excision Repair","DNA Double-Strand Break Repair","Cytokine Signaling in Immune system","SLC-mediated transmembra
ne transport","Signaling by GPCR",SUMOylation,"Phase I - Functionalization of compounds","Leishmania infection","M Phase","Uptake and actions of bacterial toxins","Cellular response to hypoxia","Gener
ic Transcription Pathway","Metabolism of steroids","Telomere Maintenance","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)",
"Resolution of Abasic Sites (AP sites)","Homology Directed Repair","Signaling by Interleukins","Transport of vitamins",nucleosides,"and related molecules","GPCR ligand binding","SUMO E3 ligases SUMOyl
ate target proteins","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","Oxygen-dependent
 proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by TP53","Ethanol oxidation","Bile acid and bile salt metabolism","Extension of Telomeres","Activation of NMDA rec
eptors and postsynaptic events","Biosynthesis of DPA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","HDR through Homologous Recombination (HRR) or Single 
Strand Annealing (SSA)","Interleukin-4 and Interleukin-13 signaling","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Transport of organic anions","Class A/1 (Rhodopsin-like r
eceptors)","SUMOylation of intracellular receptors",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Regulation of TP53 Activity","Synthesis of bile
 acids and bile salts","Telomere C-strand (Lagging Strand) Synthesis","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","PCNA-Dependent Long Patch Base Excision Repair","HDR through
 Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","Nucleotide-like (purinergic) receptors","CYP2E1 reactions","ADORA2B mediated
 anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Regulation of TP53 Expression and Degradation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Proc
essive synthesis on the C-strand of the telomere","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived maresins","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 A
ctivity through Methylation","Adenosine P1 receptors","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","Removal of the Flap Intermediate from the C-strand","Presynapt
ic phase of homologous DNA pairing and strand exchange","Metabolism of amino acids and derivatives","Branched-chain amino acid catabolism"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Detrothyronine,"3,5,3'-Triiodo-D-thyronine","3,5,3'TriiodoDthyronine",DT-3,DT3,CHEMBL557,UNII-46XII7C16X,UNII46XII7C16X,46XII7C16X,"(2R)-2-amino-3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)propan
oic acid","(2R)2amino3(4(4hydroxy3iodophenoxy)3,5diiodophenyl)propanoic acid",Detrothyronin,(+)-Triiodothyronine,(+)Triiodothyronine,5714-08-9,5714089,Dextro-3:5:3'-triiodothyronine,Dextro3:5:3'triiod
othyronine,De,T1653,1500778,Lyothyronine,LIOTHYRONINE}

> <pdid>
PD001582

> <targets>
{}

> <classes>
{"thyroid hormone blocker"}

> <pubchem_cids>
{71212}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 45  0  0  0  0            999 V2000
   -6.4810   -3.6830    0.0000 C   0  0
   -6.4959   -5.1829    0.0000 C   0  0
   -5.2041   -5.9470    0.0000 N   0  0
   -5.2168   -7.4469    0.0000 C   0  0
   -3.9242   -8.2079    0.0000 C   0  0
   -2.6188   -7.4691    0.0000 N   0  0
   -1.3239   -8.2279    0.0000 C   0  0
   -0.0189   -7.4867    0.0000 C   0  0
    1.2764   -8.2433    0.0000 C   0  0
    2.5792   -7.4998    0.0000 C   0  0
    2.5868   -5.9998    0.0000 C   0  0
    3.8888   -5.2533    0.0000 N   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    3.9015    0.7475    0.0000 F   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6580   -2.9476    0.0000 C   0  0
   -2.1885   -3.7539    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2915   -5.2433    0.0000 N   0  0
   -0.0113   -5.9867    0.0000 C   0  0
   -2.6061   -5.9691    0.0000 C   0  0
   -3.8987   -5.2081    0.0000 C   0  0
    8.9969   -1.1213    0.0000 C   0  0
    8.9969   -2.6213    0.0000 S   0  0
    7.6976   -3.3708    0.0000 O   0  0
   10.2962   -3.3708    0.0000 O   0  0
    8.9969   -4.1213    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 28 32  1  0
 32 24  1  0
 32 33  2  0
 33 20  1  0
 11 34  1  0
 34 35  2  0
 35  8  1  0
  6 36  1  0
 36 37  1  0
 37  3  1  0
 38 39  1  0
 39 40  2  0
 39 41  2  0
 39 42  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12853

> <plate>
PLATE 024

> <well>
G3

> <supplier_cmpd_name>
Abemaciclib

> <ctcr_id>
3149

> <supplier_cmpd_id>
T2381

> <smiles>
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)c4cc(F)c5nc(C)n(C(C)C)c5c4)nc2)CC1.CS(=O)(=O)O

> <pd_targets>
{CCNA2,CDK2,CCND3,CDK4,CDK6,CDK7,CDK1,GSC2,CCNT1,CDK9,CCNE1,REP,CCND1,KCNH2,CCNB1,CDK5,CDK5R1,CCNH,MNAT1}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,Transferase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","CMGC protein kinase group","Voltage-gated potassium channel","CMGC protein kinase CDK family
","CMGC protein kinase CDC2 subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK9 subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Ion channels","Kinases (EC 2.7.x.x)","Anti-infective targets","Voltage-gated ion channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Viral protein targets","Po
tassium channels","Cyclin-dependent kinase (CDK) family","Coronavirus (CoV) proteins","Voltage-gated potassium channels","CDK7 subfamily","CDK1 subfamily","CDK4 subfamily","CDK9 subfamily"}

> <pathway_reactome>
{Disease,"Cell Cycle","Muscle contraction","Infectious disease",Mitotic,"Cardiac conduction","HIV Infection","Regulation of mitotic cell cycle","Mitotic G1 phase and G1/S transition","SARS-CoV Infecti
ons","Phase 3 - rapid repolarisation","HIV Life Cycle","APC/C-mediated degradation of cell cycle proteins","G1 Phase","SARS-CoV-2 Infection","Late Phase of HIV Life Cycle","Activation of APC/C and APC
/C:Cdc20 mediated degradation of mitotic proteins","Cyclin D associated events in G1","SARS-CoV-2 Genome Replication and Transcription","Transcription of the HIV genome","APC/C:Cdc20 mediated degradat
ion of mitotic proteins","Replication of the SARS-CoV-2 genome","HIV Transcription Elongation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint"
,"Tat-mediated elongation of the HIV-1 transcript","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CDK4,CDK6}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{1231930-82-7,1231930827,"Abemaciclib mesylate",LY2835219,"LY2835219 Mesylate","Abemaciclib methanesulfonate",UNII-KKT462Q807,UNIIKKT462Q807,"Abemaciclib (methanesulfonate)",KKT462Q807,"1231930-82-7 (
mesylate)","1231930827 (mesylate)","Abemaciclib (ly2835219)",bemaciclib,"LY-2835219 methanesulfonate","LY2835219 methanesulfonate",T3111,T2381,S7158,"abemaciclib mesylate",Abemaciclib}

> <pdid>
PD038907

> <targets>
{CDK4/6,CDK}

> <classes>
{Cell Cycle,Cell Cycle/DNA Damage}

> <pubchem_cids>
{71576678}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 42 46  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    5.1820   -6.0160    0.0000 C   0  0
    6.4849   -5.2728    0.0000 O   0  0
    5.1746   -7.5168    0.0000 N   0  0
    6.4702   -8.2744    0.0000 C   0  0
    6.4629   -9.7752    0.0000 C   0  0
    7.7567  -10.5343    0.0000 C   0  0
    9.0609   -9.7933    0.0000 C   0  0
    7.7464  -12.0342    0.0000 C   0  0
    6.4422  -12.7752    0.0000 C   0  0
    6.4318  -14.2752    0.0000 C   0  0
    5.1483  -12.0163    0.0000 N   0  0
    5.1587  -10.5163    0.0000 C   0  0
    3.8649   -9.7574    0.0000 O   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 C   0  0
   -0.0140   -5.9954    0.0000 C   0  0
   -1.3117   -5.2430    0.0000 C   0  0
   -2.6121   -5.9906    0.0000 C   0  0
   -2.6149   -7.4906    0.0000 C   0  0
   -3.9146   -8.2413    0.0000 C   0  0
   -3.9152   -9.7421    0.0000 N   0  0
   -5.2130  -10.4943    0.0000 C   0  0
   -5.2106  -11.9943    0.0000 C   0  0
   -3.9104  -12.7422    0.0000 O   0  0
   -2.6126  -11.9901    0.0000 C   0  0
   -2.6150  -10.4901    0.0000 C   0  0
   -1.3173   -8.2430    0.0000 C   0  0
   -0.0169   -7.4954    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  3 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 22 23  2  3
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 19  1  0
 26 27  2  0
 14 28  2  0
 28 10  1  0
 28 29  1  0
 12 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 35  1  0
 33 41  1  0
 41 42  2  0
 42 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12854

> <plate>
PLATE 024

> <well>
G4

> <supplier_cmpd_name>
EPZ6438

> <ctcr_id>
3020

> <supplier_cmpd_id>
T1788

> <smiles>
CCN(C1CCOCC1)c2cc(cc(C(=O)NCC3=C(C)C=C(C)NC3=O)c2C)c4ccc(CN5CCOCC5)cc4

> <pd_targets>
{EZH2,EED,AEBP2,EZH1,RBBP4,SUZ12}

> <pathway_gtopdb>
{"Epigenetic regulator","Unclassified protein",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Ceramide turnover","2.1.1.43 Histone methyltransferases (HMTs)","Neutral sphingomyelinase coupling factors"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{EZH2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{Tazemetostat,1403254-99-8,1403254998,EPZ-6438,EPZ6438,E7438,UNII-Q40W93WPE1,UNIIQ40W93WPE1,"EPZ 6438",E-7438,Q40W93WPE1,"Tazemetostat (INN)",Tazverik,"Tazemetostat (USAN)","Tazemetostat (USAN/INN)","
Tazemetostat (USAN:INN)","E 7438",Tazemetostat(EPZ-6438),Tazemetostat(EPZ6438),"Tazemetostat (EPZ-","Tazemetostat (EPZ",T1788,S7128}

> <pdid>
PD010610

> <targets>
{"Histone Methyltransferase"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{66558664}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    4.0524   -4.4203    0.0000 C   0  0
    2.5524   -4.4208    0.0000 C   0  0
    3.3030   -5.7195    0.0000 C   0  0
    1.8028   -5.7210    0.0000 C   0  0
    2.5528   -7.0201    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    2.6016    2.9971    0.0000 O   0  0
    1.3070    5.2502    0.0000 C   0  0
    0.6747    6.4839    0.0000 C   0  0
   -0.0778    5.1862    0.0000 C   0  0
    2.6084    5.9986    0.0000 C   0  0
    3.9061    5.2463    0.0000 C   0  0
    5.2064    5.9941    0.0000 C   0  0
    5.2090    7.4941    0.0000 C   0  0
    6.3251    8.4951    0.0000 O   0  0
    5.7173    9.8665    0.0000 C   0  0
    7.2171    9.8414    0.0000 F   0  0
    4.9504   11.1556    0.0000 F   0  0
    4.2253    9.7123    0.0000 O   0  0
    3.9113    8.2463    0.0000 C   0  0
    2.6110    7.4986    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.2443   -5.8182    0.0000 O   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.7603   -8.0518    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 14  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 20  1  0
 26 27  2  0
 27 17  1  0
 10 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31  8  1  0
 31 32  1  0
 32  6  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12855

> <plate>
PLATE 024

> <well>
G5

> <supplier_cmpd_name>
VX661

> <ctcr_id>
6875

> <supplier_cmpd_id>
T2263

> <smiles>
CC(C)(CO)c1cc2cc(NC(=O)C3(CC3)c4ccc5OC(F)(F)Oc5c4)c(F)cc2n1CC(O)CO

> <pd_targets>
{CFTR}

> <pathway_gtopdb>
{"Ion channel","Other ion channel","Chloride channel","Cystic fibrosis transmembrane conductance regulator"}

> <pathway_chembl>
{"Ion channels","Other ion channels","Chloride channels",CFTR}

> <pathway_reactome>
{Autophagy,Macroautophagy,"Selective autophagy",Aggrephagy}

> <broad_targets>
{}

> <broad_moa>
{"CFTR channel agonist"}

> <synonyms>
{"Tezacaftor (Racemate)",SCHEMBL322363,HMS3652D20,HMS3748O05,AKOS026750399,NCGC00389346-01,NCGC0038934601,1226709-85-8,1226709858,DA-47741,DA47741,CS-0009162,CS0009162,FT-0772351,FT0772351,T2263,S7059
,VX661,VX-661}

> <pdid>
PD010638

> <targets>
{CFTR}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{46199801}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
   11.1152   -3.2053    0.0000 Br  0  5
    3.7318   -5.2025    0.0000 O   0  0
    4.7410   -4.0928    0.0000 C   0  0
    4.2839   -2.6633    0.0000 C   0  0
    5.2931   -1.5536    0.0000 O   0  0
    2.8175   -2.3435    0.0000 O   0  0
    2.3637   -0.9240    0.0000 C   0  0
    2.6046    0.4860    0.0000 C   0  0
    1.6757    1.4077    0.0000 N   0  3
    0.6658    0.3038    0.0000 C   0  0
   -0.5991    1.1116    0.0000 C   0  0
   -1.9316    0.4209    0.0000 C   0  0
   -3.1965    1.2287    0.0000 O   0  0
   -4.5289    0.5381    0.0000 C   0  0
   -5.7943    1.3436    0.0000 C   0  0
   -7.1246    0.6506    0.0000 C   0  0
   -7.1896   -0.8480    0.0000 C   0  0
   -5.9243   -1.6536    0.0000 C   0  0
   -4.5940   -0.9606    0.0000 C   0  0
    0.0282    1.4238    0.0000 C   0  0
   -0.2876    0.0215    0.0000 C   0  0
    1.3224    0.1163    0.0000 C   0  0
    2.1818    1.7292    0.0000 C   0  0
    2.2196    2.9020    0.0000 C   0  0
    6.2074   -4.4126    0.0000 C   0  0
    6.7889   -5.7814    0.0000 S   0  0
    8.2814   -5.6324    0.0000 C   0  0
    8.6010   -4.1669    0.0000 C   0  0
    7.3059   -3.4101    0.0000 C   0  0
    3.2746   -3.7738    0.0000 C   0  0
    2.5858   -5.0918    0.0000 S   0  0
    1.1099   -4.8243    0.0000 C   0  0
    0.9082   -3.3379    0.0000 C   0  0
    2.2595   -2.6868    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  9 20  1  0
 20 21  1  0
 21 22  1  0
 22  7  1  0
 22 23  1  0
 23 24  1  0
 24  9  1  0
  3 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 25  2  0
  3 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 30  2  0
M  CHG  2   1  -1   9   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12856

> <plate>
PLATE 024

> <well>
G6

> <supplier_cmpd_name>
Aclidinium bromide

> <ctcr_id>
1454

> <supplier_cmpd_id>
T2555

> <smiles>
[Br-].OC(C(=O)OC1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c4sccc4)c5sccc5

> <pd_targets>
{CHRM1,CHRM5,CHRM3,CHRM2,CHRM4}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors","Muscarinic acetylcholine receptors"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{SCHEMBL72693,HMS3652K19,BCP05982,AKOS026750536,DB-068569,DB068569,FT-0649851,FT0649851,"LAS 34273; LAS-W-330;LAS34273; LAS W-330;LAS-34273; LAS-W 330","LAS 34273; LASW330;LAS34273; LAS W330;LAS34273;
 LASW 330",S4031,"Aclidinium Bromide"}

> <pdid>
PD009178

> <targets>
{AChR}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{11467166}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0875    3.7680    0.0000 F   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 C   0  0
   -3.9117   -8.2482    0.0000 N   0  0
   -3.9170   -9.7482    0.0000 C   0  0
   -5.2186  -10.4937    0.0000 C   0  0
   -6.5150   -9.7392    0.0000 C   0  0
   -6.5099   -8.2392    0.0000 C   0  0
   -5.2082   -7.4937    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
  9 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12857

> <plate>
PLATE 024

> <well>
G7

> <supplier_cmpd_name>
Dacomitinib

> <ctcr_id>
7526

> <supplier_cmpd_id>
T2483

> <smiles>
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN4CCCCC4

> <pd_targets>
{EGFR,ERBB2,LCK,ERBB4,SRC,ERBB3,JAK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) recept
or family","Src family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,"Neuronal System","Immune System","Signaling by GPCR","Nervous system development","Infectious disease","Transmission across Chemical Synapses","
Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","GPCR downstream signalling","Axon guidance","HIV Infection","Neurotransmitter receptors and postsynaptic signal transmiss
ion","Signaling by NTRKs","Signaling by Interleukins","G alpha (q) signalling events","Semaphorin interactions","Host Interactions of HIV factors","Activation of NMDA receptors and postsynaptic events
","Signaling by NTRK1 (TRKA)","Interleukin-2 family signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Sema4D in semaphorin signaling","The role of Nef in HIV-1 replication and disease pat
hogenesis","Post NMDA receptor activation events","Signalling to ERKs","Interleukin-15 signaling","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Nef-mediat
es down modulation of cell surface receptors by recruiting them to clathrin adapters","Long-term potentiation","Signalling to RAS","Nef Mediated CD4 Down-regulation","p38MAPK events"}

> <broad_targets>
{EGFR,ERBB2,ERBB4}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{PF299,Q-4059,Q4059,J-500784,J500784,Q17130597,"PF-299804 (Dacomitinib PF-00299804)","PF299804 (Dacomitinib PF00299804)",Dacomitinib,1110813-31-4,1110813314,PF299804,"Dacomitinib (PF299804, PF299)",PF
-00299804,PF00299804,Vizimpro,UNII-2XJX250C20,UNII2XJX250C20,"Dacomitinib (PF299804)",pf00299804,2XJX250C20,"PF 002998",T2483,S2727,"Dacomitinib (PF299804,PF-00299804)"}

> <pdid>
PD010693

> <targets>
{EGFR,Apoptosis}

> <classes>
{Apoptosis,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{11511120}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 43  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8979    3.7504    0.0000 C   0  0
   -5.1969    4.5004    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0897    3.7657    0.0000 O   0  0
  -10.3910    3.0180    0.0000 C   0  0
  -11.6897    3.7702    0.0000 C   0  0
  -12.9914    3.0247    0.0000 C   0  0
  -14.2878    3.7792    0.0000 C   0  0
  -14.2827    5.2792    0.0000 C   0  0
  -12.9811    6.0247    0.0000 C   0  0
  -11.6846    5.2703    0.0000 N   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 C   0  0
   -3.9117   -8.2482    0.0000 N   0  0
   -3.9148   -9.7482    0.0000 C   0  0
   -5.2094   -7.4959    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  3  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 17 26  1  0
 26 27  1  0
 26 28  2  0
 28 14  1  0
 12 29  2  0
 29  6  1  0
 29 30  1  0
 30 31  2  0
 31  4  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12858

> <plate>
PLATE 024

> <well>
G8

> <supplier_cmpd_name>
Neratinib

> <ctcr_id>
7187

> <supplier_cmpd_id>
T2325

> <smiles>
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

> <pd_targets>
{PTK2,DSTYK,MERTK,INSR,EIF2AK4,MINK1,ERBB2,HIPK4,EGFR,KDR,FER,ERBB3,FES,FLT3,MELK,RPS6KA2,TNK2,MAP3K11,GAK,STK10,CDK16,STK35,MAP4K3,MAP4K4,STK3,MAP3K10,MAP4K2,STK17A,CSNK1G3,MAP3K3,SYK,CSNK1G2,MAPK8,W
EE1,STK24,MAP4K5,MAP2K7,MAP3K20,SIK2,STK32B,CAMK1D,MAP2K5,PTK2B,MET,BLK,SIK1,INSRR,TNIK,TAOK3,MAP2K2,ERBB4,MAP3K4,MAP3K9,MAP3K19,PRKD3,STK4,PRKD2,STK33,ABL1,FGR,SRC,MAP2K1,MAP3K13,STK17B,EPHB6,CHEK2,P
AK2,LCK,YES1,LYN,PAK1,MAPK10,TXK,CSK,MAP4K1,CSNK1E,NEK3,CHEK1,CDK7,MAP3K2,SLK,BTK,MAP3K12,STK25,STK36,CSF1R,TIE1,HCK,TEK,FYN,AXL,WEE2,NUAK1,MAST1,MST1R,JAK3,NEK2,PRKD1,PAK6,RPS6KA1,STK26,IRAK1,NUAK2,A
BCC4,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,Kinase,"Primary active transporter","Protein Kinase","ATP-binding cassette","TK protein kinase group","Other protein kinase group","STE protein kinase group"
,"CMGC protein kinase group","CAMK protein kinase group","AGC protein kinase group","TKL protein kinase group","CK1 protein kinase group","ABCC subfamily","ABCB subfamily","Tyrosine protein kinase Fak
 family","Tyrosine protein kinase Axl family","Tyrosine protein kinase InsR family","Other protein kinase PEK family","STE protein kinase STE20 family","Tyrosine protein kinase EGFR family","CMGC prot
ein kinase DYRK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Fer family","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK1 family","AGC protein kinase RSK fa
mily","Tyrosine protein kinase Ack family","TKL protein kinase MLK family","Other protein kinase NAK family","CMGC protein kinase CDK family","Other protein kinase NKF4 family","CAMK protein kinase DA
PK family","CK1 protein kinase CK1 family","STE protein kinase STE11 family","Tyrosine protein kinase Syk family","CMGC protein kinase MAPK family","Other protein kinase WEE family","STE protein kinas
e STE7 family","AGC protein kinase YANK family","Tyrosine protein kinase Met family","Tyrosine protein kinase Src family","CAMK protein kinase PKD family","CAMK protein kinase unique family","Tyrosine
 protein kinase Abl family","CAMK protein kinase RAD53 family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Csk family","Other protein kinase NEK family","Other protein kinase ULK fam
ily","Tyrosine protein kinase Tie family","AGC protein kinase MAST family","Tyrosine protein kinase JakA family","TKL protein kinase IRAK family","Other protein kinase GCN2 subfamily","STE protein kin
ase MSN subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase MELK subfamily","AGC protein kinase RSK subfamily","TKL protein kinase MLK subfamily","STE protein kinase SLK subfamily","C
MGC protein kinase TAIRE subfamily","STE protein kinase KHS subfamily","STE protein kinase MST subfamily","CK1 protein kinase CK1-g","STE protein kinase MEKK2","CMGC protein kinase JNK subfamily","STE
 protein kinase YSK subfamily","CAMK protein kinase QIK subfamily","STE protein kinase TAO subfamily","TKL protein kinase LZK subfamily","STE protein kinase PAKA subfamily","Other protein kinase Nek1"
,"CAMK protein kinase CHK1 subfamily","CMGC protein kinase CDK7 subfamily","Tyrosine protein kinase SrcA","Other protein kinase WEE1","CAMK protein kinase NuaK subfamily","STE protein kinase PAKB subf
amily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 ki
nases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","ABCC subfamily","ABCB subfa
mily","TK: Tyrosine kinase","Other protein kinases","STE20 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK-like (CAMKL) family","RSK family","TKL: Tyrosine
 kinase-like","Cyclin-dependent kinase (CDK) family","Death-associated kinase (DAPK) family","Casein kinase 1 (CK1) family","STE11 family","Mitogen-activated protein kinases (MAP kinases)","STE7 famil
y","YANK family","CAMK1 family","Protein kinase D (PKD) family","CAMK-unique family","MAST family","Non-receptor tyrosine kinases (nRTKs)","Other-unique family","Receptor tyrosine kinases (RTKs)","PEK
 family","MSN subfamily","HIPK subfamily","MELK subfamily","RSK subfamily","Mixed Lineage Kinase (MLK) family","Numb-associated kinase (NAK) family","SLK subfamily","TAIRE subfamily","NKF4 family","KH
S subfamily","MST subfamily","JNK subfamily","WEE family","YSK subfamily","QIK subfamily","TAO subfamily","STE20 subfamily","CHK1 subfamily","PAKA subfamily","NIMA (never in mitosis gene a)- related k
inase (NEK) family","CDK7 subfamily","Unc-51-like kinase (ULK) family","NuaK subfamily","PAKB subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Fak family","Type XI RTKs: TAM (TYRO3
-","AXL- and MER-TK) receptor family","Type II RTKs: Insulin receptor family","GCN2 subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial g
rowth factor) receptor family","Fer family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Ack family","MLK subfamily","Syk family","Type X RTKs: HGF (hepatocyte growth factor) receptor famil
y","Src family","Abl family","LZK subfamily","Type XIII RTKs: Ephrin receptor family","Tec family","Csk family","Type XII RTKs: TIE family of angiopoietin receptors","Janus kinase (JakA) family"}

> <pathway_reactome>
{Disease,Hemostasis,"Signal Transduction","Cellular responses to external stimuli","Developmental Biology","Immune System","Vesicle-mediated transport",Metabolism,"Cell Cycle","Programmed Cell Death",
"Gene expression (Transcription)","Circadian Clock","DNA Repair","Neuronal System","Infectious disease","Cell surface interactions at the vascular wall","Intracellular signaling by second messengers",
"Cellular responses to stress","Nervous system development","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Diseases of signal transduction by growth factor recept
ors and second messengers","Membrane Trafficking","Signaling by Hippo","Cytokine Signaling in Immune system","Metabolism of lipids","Cell Cycle Checkpoints",Apoptosis,"RNA Polymerase II Transcription"
,Mitotic,"DNA Double-Strand Break Repair","MAPK family signaling cascades","Transmission across Chemical Synapses","Platelet activation","signaling and aggregation","Leishmania infection","PIP3 activa
tes AKT signaling","Response of EIF2AK4 (GCN2) to amino acid deficiency","Cellular Senescence","Axon guidance","GPCR downstream signalling","Signaling by VEGF","Signaling by SCF-KIT","Signaling by Ins
ulin receptor","Toll-like Receptor Cascades","Oncogenic MAPK signaling","trans-Golgi Network Vesicle Budding","Neutrophil degranulation","Signaling by Interleukins","Sphingolipid metabolism","G2/M Che
ckpoints","Apoptotic execution phase","Signaling by NTRKs","Generic Transcription Pathway","HIV Infection","Fc epsilon receptor (FCERI) signaling","Mitotic G2-G2/M phases","Homology Directed Repair","
MAPK1/MAPK3 signaling","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by MST1","Regulation of mitotic cell cycle","Response to elevated platelet cytosolic Ca2+","Metaboli
sm of steroids","Parasite infection","Negative regulation of the PI3K/AKT network","Oxidative Stress Induced Senescence","Semaphorin interactions","G alpha (q) signalling events","VEGFA-VEGFR2 Pathway
","Insulin receptor signalling cascade","Toll Like Receptor 5 (TLR5) Cascade","Signaling by RAS mutants","Golgi Associated Vesicle Biogenesis","Interleukin-1 family signaling","Leishmania parasite gro
wth and survival","Sphingolipid de novo biosynthesis","G2/M DNA damage checkpoint","Apoptotic cleavage of cellular proteins","Signaling by NTRK1 (TRKA)","Interleukin-2 family signaling","Transcription
al regulation by RUNX1","EPH-Ephrin signaling","Transcriptional Regulation by TP53","Host Interactions of HIV factors","FCERI mediated Ca+2 mobilization","G2/M Transition","HDR through Homologous Reco
mbination (HRR) or Single Strand Annealing (SSA)","HIV Life Cycle","Transcriptional Regulation by VENTX","RAF/MAP kinase cascade","Activation of NMDA receptors and postsynaptic events","APC/C-mediated
 degradation of cell cycle proteins","Signaling by ROBO receptors","Platelet degranulation","Bile acid and bile salt metabolism","Leishmania phagocytosis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signali
ng","Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","VEGFR2 mediated cell proliferation","CRMPs in Sema3A signaling","IRS-mediated signalling","MyD88 cascade initia
ted on plasma membrane","Signaling downstream of RAS mutants","Interleukin-1 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Chk1/Chk2(Cds1) mediated inactivation of C
yclin B:Cdk1 complex","Signalling to ERK5","Interleukin-2 signaling","RUNX1 regulates transcription of genes involved in BCR signaling","Signalling to ERKs","EPHB-mediated forward signaling","Regulati
on of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","Centrosome maturation","HDR through Homologous Recombination (HRR)","Late Phase of HIV Life Cycle","Post NMDA rece
ptor activation events","Interleukin-15 signaling","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Activation of RAC1","Synthesis of bile acids and bile salts","FCGR3A-
mediated phagocytosis","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","PI3K Cascade","MAP kinase activation","FCGR3A-mediated IL10 synthesis","Sema4D mediat
ed inhibition of cell attachment and migration","Prolonged ERK activation events","Signalling to RAS","Regulation of TP53 Expression and Degradation","Nef and signal transduction","Nef-mediates down m
odulation of cell surface receptors by recruiting them to clathrin adapters","Loss of proteins required for interphase microtubule organization from the centrosome","Homologous DNA Pairing and Strand 
Exchange","Transcription of the HIV genome","Long-term potentiation","Regulation of TP53 Activity through Phosphorylation","APC/C:Cdc20 mediated degradation of mitotic proteins","Synthesis of bile aci
ds and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear events mediated by MAP kinases","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Frs2-med
iated activation","p38MAPK events","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosomes","Presynaptic phase of homologous DNA pairing and strand ex
change","HIV Transcription Elongation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","activated TAK1 mediates p38 MAPK activation","CREB pho
sphorylation","Activation of the AP-1 family of transcription factors","Tat-mediated elongation of the HIV-1 transcript","APC-Cdc20 mediated degradation of Nek2A","Formation of HIV-1 elongation comple
x containing HIV-1 Tat"}

> <broad_targets>
{EGFR,ERBB2,KDR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"ERATINIB (HKI272",Q-101402,Q101402,Q6995920,Neratinib,698387-09-6,698387096,HKI-272,HKI272,"Neratinib (HKI-272)","Neratinib (HKI272)",Nerlynx,"HKI 272",Neratinib(HKI-272),Neratinib(HKI272),UNII-JJH9
4R3PWB,UNIIJJH94R3PWB,PB-272,PB272,JJH94R3PWB,CHEMBL180022,"698387-09-6 (free base)","698387096 (free base)",WAY-179272,WAY179272,C30H29ClN6O3,"Neratinib (USAN:INN)",18404,S2150,neratinib}

> <pdid>
PD003298

> <targets>
{EGFR(HER),HER2,EGFR}

> <classes>
{}

> <pubchem_cids>
{9915743}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 13  0  0  1  0            999 V2000
    4.2566    0.5871    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  1  1
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12859

> <plate>
PLATE 024

> <well>
G9

> <supplier_cmpd_name>
Nicotine

> <ctcr_id>
7026

> <supplier_cmpd_id>
T2892

> <smiles>
CN1CCC[C@H]1c2cccnc2

> <pd_targets>
{CHRNA4,CHRNB2,CHRNA7,CHRNA3,CHRNB4,CHRNA10,CHRNA2,CHRNA5,CHRNA6,CHRNA9,CHRNB3,MAPT,NACHRBETA2,CHRNA1,ALDH1A1,CHRNB1,CHRND,CHRNG,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,HTR3A,HTR3B,HTR3C,HTR3D,HTR3E,CHRNE,NACHR
ALPHA5,TRPA1,CYP2A6,IMPA1,CYP2A13,KCND3,BLM,KDM4E,SLC22A2,SLC22A1,CYP19A1,CHAT}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein",Enzyme,"Membrane receptor","Epigenetic regulator",Transporter,"Ligand-gated ion channel",Oxidoreductase,"Family A G protein-coupled receptor","Voltage-gated io
n channel","Cytochrome P450",Hydrolase,Eraser,"Electrochemical transporter",Transferase,"Nicotinic acetylcholine receptor","Small molecule receptor (family A GPCR)","5HT3 receptor","Transient receptor
 potential channel","Cytochrome P450 family 2","Potassium channels","Lysine demethylase","SLC superfamily of solute carriers","Cytochrome P450 family 19","Nicotinic acetylcholine receptor alpha subuni
t","Nicotinic acetylcholine receptor beta subunit","Monoamine receptor","Cytochrome P450 family 2A","Voltage-gated potassium channel","Jumonji domain-containing","SLC22 family of organic cation and an
ion transporters","Cytochrome P450 family 19A","Acetylcholine receptor","Cytochrome P450 2A6","Cytochrome P450 19A1"}

> <pathway_chembl>
{"Ion channels",Enzymes,Transporters,"Ligand-gated ion channels","Voltage-gated ion channels","Cytochrome P450","Inositol phosphate turnover","Chromatin modifying enzymes","SLC superfamily of solute c
arriers","Acetylcholine turnover","Nicotinic acetylcholine receptors","Transient Receptor Potential channels","CYP2 family: drug metabolising subset","Inositol monophosphatase","Potassium channels","1
.14.11.- Histone demethylases","SLC22 family of organic cation and anion transporters",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Voltage-gated potassium channels","Organic cation transporters (OCT
)"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Transport of small molecules","Muscle contraction","DNA Repair","Transmission across Chemical Synapses","Biological oxidations","Ion channel transport","Inositol phospha
te metabolism","Cardiac conduction","DNA Double-Strand Break Repair","SLC-mediated transmembrane transport","Metabolism of lipids","Neurotransmitter receptors and postsynaptic signal transmission","Ph
ase I - Functionalization of compounds","Stimuli-sensing channels","Synthesis of IP2",IP,"and Ins in the cytosol","Phase 1 - inactivation of fast Na+ channels","Homology Directed Repair","Transport of
 bile salts and organic acids","metal ions and amine compounds","Phospholipid metabolism","Acetylcholine binding and downstream events","Activation of NMDA receptors and postsynaptic events","Ethanol 
oxidation","TRP channels","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Organic cation/anion/zwitterion transport","Glyc
erophospholipid biosynthesis","Postsynaptic nicotinic acetylcholine receptors","Post NMDA receptor activation events",Xenobiotics,"HDR through Homologous Recombination (HRR)","Organic cation transport
","Endogenous sterols","Synthesis of PC","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Homologous DNA Pairing 
and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CHAT,CHRNA10,CHRNA2,CHRNA3,CHRNA4,CHRNA5,CHRNA6,CHRNA7,CHRNA9,CHRNB2,CHRNB3,CHRNB4,CYP19A1,TBXAS1,TRPA1}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{nicotine,L-Nicotine,LNicotine,54-11-5,54115,(-)-Nicotine,()Nicotine,(S)-Nicotine,(S)Nicotine,(S)-3-(1-methylpyrrolidin-2-yl)pyridine,(S)3(1methylpyrrolidin2yl)pyridine,Habitrol,3-((2S)-1-methylpyrrol
idin-2-yl)pyridine,3((2S)1methylpyrrolidin2yl)pyridine,(S)-(-)-Nicotine,(S)()Nicotine,Nicoderm,Nicotrol,Fumetobac,"Nicotine polacrilex","Flux MAAG","Ortho N-4 dust","Ortho N4 dust",O,T2892,SAM00256422
4,Nicotine,CPD000059074}

> <pdid>
PD003076

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{89594}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
   -2.1274   -3.7878    0.0000 C   0  0
   -0.6566   -4.0826    0.0000 C   0  0
   -0.1770   -5.5038    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.6423   -0.0862    0.0000 C   0  0
    3.8914   -0.9168    0.0000 O   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990    1.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    0.0000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -7.7942    1.5000    0.0000 C   0  0
   -7.7942    3.0000    0.0000 C   0  0
   -9.0933    3.7500    0.0000 O   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -5.1788    4.4691    0.0000 C   0  0
   -7.8115    4.4693    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.7321    2.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 18  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 12  1  0
 30 17  1  0
 30 31  1  0
 14 32  1  0
 32  4  1  0
 32  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12860

> <plate>
PLATE 024

> <well>
G10

> <supplier_cmpd_name>
Betulin

> <ctcr_id>
977

> <supplier_cmpd_id>
T3121

> <smiles>
CC(=C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12

> <pd_targets>
{TOP2A,PYGM,RELA}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Isomerase,Transferase}

> <pathway_chembl>
{Enzymes,"DNA topoisomerases"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Immune System",Mitotic,"Metabolism of carbohydrates","Innate Immune System","Mitotic G1 phase and G1/S transition","Glycogen metabolism","Toll-like Receptor Cascades","G0 and
 Early G1","Glycogen breakdown (glycogenolysis)","Toll Like Receptor 5 (TLR5) Cascade","Transcription of E2F targets under negative control by DREAM complex","MyD88 cascade initiated on plasma membran
e","TAK1 activates NFkB by phosphorylation and activation of IKKs complex"}

> <broad_targets>
{PYGM}

> <broad_moa>
{"ACAT inhibitor","sterol regulatory element binding protein (SREBP) inhibitor"}

> <synonyms>
{"Lup-20(29)-ene-3,28-diol","Lup20(29)ene3,28diol","Lup-20(29)-ene-3.beta.,28-diol","Lup20(29)ene3.beta.,28diol","Lup-20(30)-ene-3.beta.,28-diol","Lup20(30)ene3.beta.,28diol","Betulinic alcohol",NSC46
44,"Lup-20(30)-ene-3beta,28-diol","Lup20(30)ene3beta,28diol",NSC692218,"(3beta)-lup-20(29)-ene-3,28-diol","(3beta)lup20(29)ene3,28diol","Betulinol (obsol.)",Lup-20(29)-ene-3,Lup20(29)ene3,28-diol,28di
ol,T3121,"NSC 4644",Betulin,Betulol}

> <pdid>
PD001571

> <targets>
{Apoptosis,Endogenous Metabolite,Fatty Acid Synthase (FASN)}

> <classes>
{Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{221023}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    8.1022    2.6072    0.0000 C   0  0
    7.3541    1.3071    0.0000 O   0  0
    5.8532    1.3040    0.0000 C   0  0
    5.1009    2.6017    0.0000 O   0  0
    5.1047    0.0031    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12861

> <plate>
PLATE 024

> <well>
G11

> <supplier_cmpd_name>
Carbendazim

> <ctcr_id>
11332

> <supplier_cmpd_id>
T3124

> <smiles>
COC(=O)Nc1nc2c([nH]1)cccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{TP53,TUBB}

> <broad_moa>
{"microtubule inhibitor","tubulin polymerization inhibitor"}

> <synonyms>
{Carbendazim,10605-21-7,10605217,Carbendazole,Bavistin,Mecarzole,Carbendazime,Carbendazol,Bavistan,Derosal,Thicoper,Medamine,Funaben,"Methyl 2-benzimidazolecarbamate","Methyl 2benzimidazolecarbamate",
"BMK (fungicide)",Carbendazym,Equitdazin,Garbenda,Kemdazin,Supercarb,Agrizim,Battal,Be,T3124}

> <pdid>
PD058629

> <targets>
{Antifungal,Fungal}

> <classes>
{Microbiology&virology,Anti-infection}

> <pubchem_cids>
{25429}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
   11.8505   -3.7793    0.0000 K   0  3
    2.5981    0.0000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
    3.8971   -0.7500    0.0000 C   0  0
    5.1962   -1.5000    0.0000 C   0  0
    5.1962   -3.0000    0.0000 C   0  0  1  0  0  0
    6.1061   -2.5853    0.0000 C   0  0
    3.8971   -3.7500    0.0000 C   0  0
    4.2297   -5.2071    0.0000 C   0  0
    5.7224   -5.3544    0.0000 C   0  0
    6.3238   -3.9802    0.0000 C   0  0  2  0  0  0
    6.6067   -3.0210    0.0000 O   0  0
    7.3153   -5.0895    0.0000 C   0  0
    6.8692   -6.5225    0.0000 C   0  0
    7.8864   -7.6260    0.0000 C   0  0
    9.3497   -7.2965    0.0000 O   0  5
    7.4405   -9.0582    0.0000 O   0  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9  3  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13  3  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 12  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  1  1
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
M  CHG  2   1   1  26  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12862

> <plate>
PLATE 024

> <well>
H2

> <supplier_cmpd_name>
Potassium canrenoate

> <ctcr_id>
3883

> <supplier_cmpd_id>
T3096

> <smiles>
[K+].C[C@]12CCC(=O)C=C1C=CC3C2CC[C@@]4(C)C3CC[C@@]4(O)CCC([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"POTASSIUM SAL","Aldadiene Potassium","Canrenoate (potassium)","Canrenoic acid, potassium salt",2181-04-6,2181046,"2181 04 6",SPECTRUM1500828,HMS1921K06,HMS2092M08,HMS3369F18,CCG-39293,CCG39293,"CCG 
39293",MFCD05662375,AKOS016010052,T3096,1500828,"Potassium canrenoate","CANRENOIC ACID, POTASSIUM SALT"}

> <pdid>

> <targets>
{}

> <classes>
{diuretic,"aldosterone antagonist"}

> <pubchem_cids>
{23682215}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 S   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10  3  1  0
  9 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12863

> <plate>
PLATE 024

> <well>
H3

> <supplier_cmpd_name>
Thioguanine

> <ctcr_id>
11333

> <supplier_cmpd_id>
T3089

> <smiles>
c1nc2c([nH]1)c(=S)nc([nH]2)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{6-Thioguanine,6Thioguanine,thioguanine,154-42-7,154427,Tioguanine,2-Amino-6-mercaptopurine,2Amino6mercaptopurine,6-Mercaptoguanine,6Mercaptoguanine,Tioguanin,Tabloid,Lanvis,2-Amino-6-purinethiol,2Ami
no6purinethiol,"2-Amino 6MP","2Amino 6MP",2-Aminopurin-6-thiol,2Aminopurin6thiol,2-Aminopurine-6-thiol,2Aminopurine6thiol,2-Aminopurine-6(1H)-thione,2Aminopurine6(1H)thione,"Wellcome U3B",6-Mercap,6Me
rcap,T3089,T2A2537,Thioguanine,Guanine}

> <pdid>

> <targets>
{DNMT1}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{2723601}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -1.3040   -9.7511    0.0000 C   0  0
   -0.0032  -10.4997    0.0000 N   0  0
   -0.0001  -12.0006    0.0000 C   0  0
   -1.2978  -12.7528    0.0000 O   0  0
    1.3007  -12.7491    0.0000 O   0  0
    1.3038  -14.2500    0.0000 C   0  0
    2.6046  -14.9985    0.0000 C   0  0
    2.6098  -16.4986    0.0000 C   0  0
    3.9114  -17.2441    0.0000 C   0  0
    5.2079  -16.4896    0.0000 C   0  0
    5.2027  -14.9896    0.0000 N   0  0
    3.9011  -14.2441    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 14 27  1  0
 27 28  2  0
 28 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12864

> <plate>
PLATE 024

> <well>
H4

> <supplier_cmpd_name>
Entinostat

> <ctcr_id>
4609

> <supplier_cmpd_id>
T6233

> <smiles>
Nc1ccccc1NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2

> <pd_targets>
{CYP3A4,HDAC3,HDAC1,HDAC6,HDAC2,HDAC4,HDAC10,HDAC11,HDAC5,HDAC7,HDAC8,HDAC9,NCOR2,F3}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Cytochrome P450",Eraser,"Cytochrome P450 family 3","Histone deacetylase","Cytochrome P450 family 3A","HDAC class I","HDAC class IIb","HDAC class IIa
","HDAC class IV","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Chromatin modifying enzymes","CYP3 family","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Metabolism,Disease,"Gene expression (Transcription)","Cell Cycle","Signal Transduction","Metabolism of lipids","Disorders of Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Diseases
 of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Biosynthesis of specialized proresolving mediators (SPMs)","Disorders of Nervous Sys
tem Development","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Signaling by NTRKs","Biosynthesis of DHA-derived SPMs","Pervasive developmental disorders","Transcriptional 
regulation by RUNX2","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Signaling by NTRK1 (TRKA)","Biosynthesis of maresins"
,"Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone development","Regulation of TP53 Activity","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Nuclear Eve
nts (kinase and transcription factor activation)","Biosynthesis of maresin-like SPMs","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulat
es osteoblast differentiation","Regulation of TP53 Activity through Acetylation","RUNX2 regulates chondrocyte maturation","Separation of Sister Chromatids","NGF-stimulated transcription"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{S27,Entinostat,209783-80-2,209783802,ms-275,ms275,SNDX-275,SNDX275,"MS 275",MS-27-275,MS27275,"SNDX 275","Entinostat (MS-275)","Entinostat (MS275)",MS275,"MS 27-275","MS 27275","pyridin-3-ylmethyl 4-
((2-aminophenyl)carbamoyl)benzylcarbamate","pyridin3ylmethyl 4((2aminophenyl)carbamoyl)benzylcarbamate","pyridin-3-ylmethyl N-((4-((2-aminophenyl)carbamoyl)phenyl)methyl)carbamat","pyridin3ylmethyl N(
(4((2aminophenyl)carbamoyl)phenyl)methyl)carbamat",T6233,S1053,"Entinostat (MS-275, SNDX-275)",MS-275}

> <pdid>
PD003328

> <targets>
{HDAC Inhibitors,Apoptosis,Autophagy,HDAC}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{4261}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 11  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 Cl  0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 N   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3992    0.0004    0.0000 Cl  0  0
    6.5030    2.2508    0.0000 N   0  0
    7.8031    2.9990    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  7 11  1  0
 11 12  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12865

> <plate>
PLATE 024

> <well>
H5

> <supplier_cmpd_name>
Carmustine

> <ctcr_id>
4602

> <supplier_cmpd_id>
T3091

> <smiles>
ClCCNC(=O)N(CCCl)N=O

> <pd_targets>
{GSR,PMP22,KMT2A,MEN1,ABCB11,HTT,TSHR,ALDH1A1,BLM,RORC,NFO}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Epigenetic regulator",Transporter,"Membrane receptor","Transcription factor",Oxidoreductase,Reader,"Primary active transporter","Family A G protein-coupled receptor","N
uclear receptor",Hydrolase,Bromodomain,"ATP-binding cassette","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","ABCB subfamily","Glycohormone receptor","Nuclear hormone recept
or subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"1.-.-.- Oxidoreductases","ATP-binding cassette transporter family","G protein-coupled receptors","Nuclear hormone receptors","ABCB subfamily","Glycoprotein hormone rec
eptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","Developmental Biology",Metabolism,Disease,"DNA Repair","RNA Polymerase II Transcription","Nervous system development","Metabolism of lipids","Infectious disease","B
iological oxidations","DNA Double-Strand Break Repair","Generic Transcription Pathway","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Metabolism of steroids","Leishmania infection",
"Phase I - Functionalization of compounds","Homology Directed Repair","Transcriptional Regulation by TP53","Bile acid and bile salt metabolism","Transcriptional Regulation by MECP2","Leishmania parasi
te growth and survival","Ethanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","TP53 Regulates Metabolic Genes","Synthe
sis of bile acids and bile salts","Regulation of MECP2 expression and activity","Anti-inflammatory response favouring Leishmania parasite infection","HDR through Homologous Recombination (HRR)","RUNX3
 Regulates Immune Response and Cell Migration","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing 
and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Becenun,U68WG3173Y,MFCD00057706,carmustine,154-93-8,154938,"1,3-Bis(2-chloroethyl)-1-nitrosourea","1,3Bis(2chloroethyl)1nitrosourea",BCNU,Carmustin,Gliadel,Nitrumon,Carmubris,BiCNU,"Bi CNU",Carmustin
um,"Bischloroethyl nitrosourea",Bischlorethylnitrosurea,N,N'-BIS(2-CHLOROETHYL)-N-NITR,N'BIS(2CHLOROETHYL)NNITR,T3091,409962,1503110,"NSC 409962",Carmustine,CARMUSTINE}

> <pdid>
PD002792

> <targets>
{}

> <classes>
{antineoplastic,"alkylating agent","Alkylating agent"}

> <pubchem_cids>
{2578}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 30  0  0  1  0            999 V2000
    2.5997    1.5004    0.0000 C   0  0
    2.5988    0.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -0.7500   -5.2205    0.0000 C   0  0
   -1.5000   -6.5178    0.0000 C   0  0
   -0.7500   -7.8169    0.0000 C   0  0
    0.7500   -7.8169    0.0000 C   0  0
    1.5000   -6.5178    0.0000 C   0  0
    0.7500   -5.2205    0.0000 C   0  0
    1.2990   -3.7500    0.0000 N   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    2.5981   -3.0000    0.0000 C   0  0  2  0  0  0
    3.8784   -2.2184    0.0000 O   0  0
    2.5981   -1.5000    0.0000 C   0  0
    3.0700   -4.4032    0.0000 C   0  0
    2.0503   -5.5033    0.0000 O   0  0
    4.5333   -4.7369    0.0000 O   0  0
    4.9766   -6.1699    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  1  0
 18 10  2  0
 19 18  1  1
 19  3  1  0
 19  7  1  0
 17 20  1  0
 20 21  1  1
 20 22  1  0
 22  3  1  0
 20 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12866

> <plate>
PLATE 024

> <well>
H6

> <supplier_cmpd_name>
Vincamine

> <ctcr_id>
2834

> <supplier_cmpd_id>
T1286

> <smiles>
CC[C@@]12CCCN3CCc4c5ccccc5n(c4[C@H]13)[C@](O)(C2)C(=O)OC

> <pd_targets>
{CHRM3,CHRM1,CHRM2,CHRM4,KDM4E,MAPT,KMT2A,MEN1,ALD,CASP6,L3MBTL1,GAA}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator","Other cytosolic protein",Enzyme,"Family A G protein-coupled receptor",Eraser,Reader,Protease,Hydrolase,"Small molecule receptor (family A GPCR)","Lysine de
methylase",Bromodomain,"Cysteine protease","Methyl-lysine/arginine binding protein","Monoamine receptor","Jumonji domain-containing","Cysteine protease CD clan","MBT domain","Acetylcholine receptor","
Cysteine protease C14 family"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Chromatin modifying enzymes","Peptidases and proteinases","3.2.1.- Glycosidases","Acetylcholine receptors (muscarinic)","1.14.11.- Histone demethylase
s","CD: Cysteine (C) Peptidases","C14: Caspase"}

> <pathway_reactome>
{"Signal Transduction","Neuronal System","Gene expression (Transcription)",Disease,"Signaling by GPCR","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Diseases of metabolism
","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Diseases of carbohydrate metabolism","Class A/1 (Rhodopsin-like receptors)","
Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","Glycogen storage diseases","Amine ligand-binding receptors","Post NMDA receptor activation events","TP53 Reg
ulates Transcription of Cell Death Genes","Regulation of TP53 Activity","Glycogen storage disease type II (GAA)","Muscarinic acetylcholine receptors","Activation of AMPK downstream of NMDARs","TP53 Re
gulates Transcription of Caspase Activators and Caspases","Regulation of TP53 Activity through Methylation"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{RESTW27,vincamine,1617-90-9,1617909,Devincan,Pervincamine,Minorine,Vincamidol,Novicet,Angiopac,Equipur,Monorin,(+)-Vincamine,(+)Vincamine,"Methyl vincaminate",Arteriovinca,Anasclerol,Vincasaunier,Dec
incan,Devinkan,Tripervan,Vincadar,Vincafolina,Vincamin,Vincapront,Vincimax,T1286,Prestw-271,Vincamine}

> <pdid>
PD001657

> <targets>
{GPR40}

> <classes>
{GPCR/G Protein}

> <pubchem_cids>
{15376}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2960    5.2539    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
   -0.0108    7.4995    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    1.2804    9.7540    0.0000 Br  0  0
    2.5873    7.5085    0.0000 C   0  0
    2.5924    6.0085    0.0000 C   0  0
    3.8941    5.2631    0.0000 F   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 N   0  0
   -1.3071   -9.7503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
  6 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12867

> <plate>
PLATE 024

> <well>
H7

> <supplier_cmpd_name>
Vandetanib

> <ctcr_id>
4018

> <supplier_cmpd_id>
T1656

> <smiles>
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4

> <pd_targets>
{FGFR1,FLT1,EGFR,KDR,TEK,PDGFRB,MAP2K1,MAP2K2,SIK2,ALK,ACVRL1,LTK,MAP4K2,FYN,CSK,DDR2,EPHA4,FGFR2,EPHA2,EPHB1,HCK,TNIK,YES1,ERBB2,CDC42BPA,CDC42BPB,RIPK2,SRC,STK32A,PLK4,COQ8A,COQ8B,ACVR1,HUNK,RIPK4,C
SNK1E,FLT3,MAP3K19,TXK,AURKC,SRMS,TESK1,RPS6KA1,KIT,CSF1R,ABL1,IRAK1,FRK,EPHB4,MKNK2,MAP4K5,EPHA6,MAP4K3,AURKB,BLK,MAP4K4,MERTK,AXL,EPHA7,FLT4,MET,LCK,BTK,ULK3,ERBB3,RET,STK10,EPHB6,DDR1,GAK,PHKG2,PHK
G1,FGFR3,MAP3K20,MAPK6,EPHA3,MAPK14,ROCK2,PTK6,LYN,EPHB2,EPHA1,TYRO3,MAP3K4,MKNK1,TNNI3K,PDGFRA,SIK3,LRRK2,ABL2,EPHA8,EPHA5,ERBB4,IRAK4,STK33,CIT,CDK7,TIE1,PRKAA1,RPS6KA6,SIK1,FGFR4,CDC42BPG,RORC,FGR,
MAP2K5,TUBA1A,MAP4K1,SLK,MINK1,MST1R,BMPR1B,HTT,STK35,RPS6KB1,KIF5B,EPHA10,EPHB3,VEGFA}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Transcription factor","Structural protein","Secreted protein",Kinase,"Nuclear receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","TK protein kinase group
","STE protein kinase group","CAMK protein kinase group","TKL protein kinase group","AGC protein kinase group","Other protein kinase group","Atypical protein kinase group","CK1 protein kinase group","
CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase EGFR family","Tyrosine p
rotein kinase Tie family","Tyrosine protein kinase PDGFR family","STE protein kinase STE7 family","CAMK protein kinase CAMK1 family","TKL protein kinase STKR family","Tyrosine protein kinase Alk famil
y","STE protein kinase STE20 family","Tyrosine protein kinase Src family","Tyrosine protein kinase Csk family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Eph family","AGC protein ki
nase DMPK family","TKL protein kinase RIPK family","AGC protein kinase YANK family","Other protein kinase PLK family","Atypical protein kinase ABC1 family","CK1 protein kinase CK1 family","STE protein
 kinase STE11 family","Tyrosine protein kinase Tec family","Other protein kinase AUR family","TKL protein kinase LISK family","AGC protein kinase RSK family","Tyrosine protein kinase Abl family","TKL 
protein kinase IRAK family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Met family","Other protein kinase ULK family","Tyrosine protein kinase Re
t family","Other protein kinase NAK family","CAMK protein kinase PHk family","TKL protein kinase MLK family","CMGC protein kinase MAPK family","TKL protein kinase LRRK family","CAMK protein kinase uni
que family","CMGC protein kinase CDK family","Nuclear hormone receptor subfamily 1 group F member 3","Other protein kinase NKF4 family","CAMK protein kinase QIK subfamily","TKL protein kinase STKR Typ
e 1 subfamily","STE protein kinase KHS subfamily","Tyrosine protein kinase SrcA","STE protein kinase MSN subfamily","AGC protein kinase GEK subfamily","Atypical protein kinase ABC1-A subfamily","TKL p
rotein kinase STKR1","Tyrosine protein kinase Srm","TKL protein kinase TESK subfamily","AGC protein kinase RSK subfamily","CAMK protein kinase MNK subfamily","STE protein kinase SLK subfamily","TKL pr
otein kinase MLK subfamily","CMGC protein kinase ERK3","CMGC protein kinase p38 subfamily","AGC protein kinase ROCK subfamily","TKL protein kinase HH498 subfamily","AGC protein kinase CRIK subfamily",
"CMGC protein kinase CDK7 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase p70 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Catalytic receptors","Kinases (EC 2.7.x.x)","Nuclear hormone receptors",Tubulins,"Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile
 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families",Atypical,"CK1: Casein kinase 1","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic
 acid-related orphans","TK: Tyrosine kinase","STE7 family","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","STE20 family","DMPK family","YANK family","Other protein kinases","ABC1 family","Case
in kinase 1 (CK1) family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Phosphorylase kinase (PHK) family","Mitogen-activated protein kinases (MAP kinases)","STE11 family","CAMK-uniqu
e family","Cyclin-dependent kinase (CDK) family","Receptor tyrosine kinases (RTKs)","QIK subfamily","Receptor serine/threonine kinase (RSTK) family","KHS subfamily","Non-receptor tyrosine kinases (nRT
Ks)","MSN subfamily","GEK subfamily","Receptor interacting protein kinase (RIPK) family","Polo-like kinase (PLK) family","ABC1-B subfamily","HUNK subfamily","STE20 subfamily","Aurora kinase (Aur) fami
ly","LIM domain kinase (LISK) family","RSK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","MKN subfamily","Unc-51-like kinase (ULK) family","SLK subfamily","Numb-associated kinase
 (NAK) family","Mixed Lineage Kinase (MLK) family","ERK subfamily","p38 subfamily","Rho kinase","Leucine-rich repeat kinase (LRRK) family","Other DMPK family kinases","CDK7 subfamily","AMPK subfamily"
,"NKF4 family","p70 subfamily","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I RTKs: ErbB (epidermal gro
wth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor famil
y","Type I receptor serine/threonine kinases","Src family","Csk family","Type XVI RTKs: DDR (collagen receptor) family","Type XIII RTKs: Ephrin receptor family","Tec family","TESK subfamily","Abl fami
ly","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIV RTKs: RET","MLK subfamily","HH498 subfamily"}

> <pathway_reactome>
{Disease,"Signal Transduction","Extracellular matrix organization","Developmental Biology","Cellular responses to external stimuli","Immune System","Cell Cycle","Cell-Cell communication","Gene express
ion (Transcription)",Hemostasis,"Vesicle-mediated transport",Metabolism,"Neuronal System","Circadian Clock","Diseases of signal transduction by growth factor receptors and second messengers","Signalin
g by Receptor Tyrosine Kinases","Signaling by GPCR","MAPK family signaling cascades","Intracellular signaling by second messengers","Signaling by TGFB family members","Infectious disease","Non-integri
n membrane-ECM interactions","Nervous system development","Cellular responses to stress","Innate Immune System",Mitotic,"Signaling by Non-Receptor Tyrosine Kinases","Cell junction organization","RNA P
olymerase II Transcription","Cell surface interactions at the vascular wall","Signaling by Hedgehog","Membrane Trafficking","Metabolism of carbohydrates","Transmission across Chemical Synapses","Signa
ling by Rho GTPases","MTOR signalling","Signaling by FGFR in disease","Signaling by VEGF","GPCR downstream signalling","MAPK1/MAPK3 signaling","PIP3 activates AKT signaling","Signaling by NTRKs","Sign
aling by BMP","HIV Infection","Oncogenic MAPK signaling","Axon guidance","Cellular Senescence","Leishmania infection","Toll-like Receptor Cascades","Mitotic G2-G2/M phases","Signaling by Insulin recep
tor","Fc epsilon receptor (FCERI) signaling","Signaling by PTK6","Cell-extracellular matrix interactions","Signaling by KIT in disease","Generic Transcription Pathway","M Phase","Hedgehog 'on' state",
"Neutrophil degranulation","trans-Golgi Network Vesicle Budding","Glycogen metabolism","MAPK6/MAPK4 signaling","Mitotic G1 phase and G1/S transition","Signaling by FGFR","Signaling by PDGFR in disease
","Neurotransmitter receptors and postsynaptic signal transmission","RHO GTPase Effectors","Signaling by MST1","mTORC1-mediated signalling","Signaling by FGFR1 in disease","VEGF ligand-receptor intera
ctions","G alpha (q) signalling events","VEGFA-VEGFR2 Pathway","RAF/MAP kinase cascade","Negative regulation of the PI3K/AKT network","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","Si
gnaling by RAS mutants","EPH-Ephrin signaling","Signaling by FGFR2 in disease","Oxidative Stress Induced Senescence","Leishmania parasite growth and survival","Semaphorin interactions","Toll Like Rece
ptor 5 (TLR5) Cascade","G2/M Transition","Insulin receptor signalling cascade","FCERI mediated Ca+2 mobilization","PTK6 Down-Regulation","Regulation of cytoskeletal remodeling and cell spreading by IP
P complex components","Drug resistance of KIT mutants","Transcriptional Regulation by VENTX","Parasite infection","PTEN Regulation","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX
1","RET signaling","Golgi Associated Vesicle Biogenesis","Glycogen breakdown (glycogenolysis)","Signaling by FGFR3 in disease","G1 Phase","Signaling by FGFR4","Drug resistance of PDGFR mutants","PTK6 
promotes HIF1A stabilization","Signaling by ROBO receptors","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 2 (TLR2) Cascade","RHO GTPases activate CIT","HIV Life Cycle","Tr
anscriptional Regulation by TP53","Transcriptional regulation by RUNX3","Transcriptional Regulation by MECP2","Transcriptional regulation by the AP-2 (TFAP2) family of transcription factors","FGFR1 mu
tant receptor activation","VEGF binds to VEGFR leading to receptor dimerization","Gastrin-CREB signalling pathway via PKC and MAPK","VEGFR2 mediated cell proliferation",PI5P,"PP2A and IER3 Regulate PI
3K/AKT Signaling","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","Signaling downstream of RAS mutants","EPHA-mediated growth cone collapse","FGFR2 mutant receptor
 activation","EPHB-mediated forward signaling","Anti-inflammatory response favouring Leishmania parasite infection","Sema4D in semaphorin signaling","MyD88 cascade initiated on plasma membrane","Centr
osome maturation","IRS-mediated signalling","Dasatinib-resistant KIT mutants","Leishmania phagocytosis","Regulation of PTEN stability and activity","Mitotic Anaphase","RUNX1 regulates transcription of
 genes involved in BCR signaling","Signaling by FGFR3 point mutants in cancer","Cyclin D associated events in G1","Negative regulation of FGFR4 signaling","Imatinib-resistant PDGFR mutants","Role of A
BL in ROBO-SLIT signaling","Post NMDA receptor activation events","Toll Like Receptor TLR6:TLR2 Cascade","Late Phase of HIV Life Cycle","Regulation of TP53 Activity","Downstream signaling of activated
 FGFR4","RUNX3 Regulates Immune Response and Cell Migration","Signalling to ERK5","Regulation of MECP2 expression and activity","TFAP2 (AP-2) family regulates transcription of growth factors and their
 receptors","Signaling by activated point mutants of FGFR1","EGFR Transactivation by Gastrin","Prolonged ERK activation events","Nef and signal transduction","Activated point mutants of FGFR2","FCGR3A
-mediated IL10 synthesis","Sema4D induced cell migration and growth-cone collapse","MAP kinase activation","Signalling to RAS","Loss of proteins required for interphase microtubule organization from t
he centrosome","PI3K Cascade","FCGR3A-mediated phagocytosis","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","Nef-mediates down modulation of cell surfa
ce receptors by recruiting them to clathrin adapters","FGFR3 mutant receptor activation","Spry regulation of FGF signaling","Long-term potentiation","MyD88:MAL(TIRAP) cascade initiated on plasma membr
ane","Transcription of the HIV genome","Regulation of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FRS-mediated FGFR4 sign
aling","Frs2-mediated activation","activated TAK1 mediates p38 MAPK activation","p38MAPK events","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Medi
ated CD4 Down-regulation","Signaling by activated point mutants of FGFR3","HIV Transcription Elongation","RSK activation","CREB phosphorylation","Activation of the AP-1 family of transcription factors
","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{EGFR,EPHA1,EPHA10,EPHA2,EPHA3,EPHA4,EPHA5,EPHA6,EPHA7,EPHA8,EPHB1,EPHB2,EPHB3,EPHB4,EPHB6,ERBB2,ERBB3,ERBB4,FLT1,FLT4,KDR,PTK6,RET,SRC,TEK,VEGFA}

> <broad_moa>
{"EGFR inhibitor","RET tyrosine kinase inhibitor","VEGFR inhibitor"}

> <synonyms>
{Vandetinib,"HSDB 8198",2ivu,Vandetanib,443913-73-3,443913733,Zactima,ZD6474,Caprelsa,"vandetanib (zd6474)","ZD 6474",ZD-6474,UNII-YO460OQ37K,UNIIYO460OQ37K,C22H24BrFN4O2,CHEMBL24828,YO460OQ37K,CHEBI:
49960,GNF-PF-2188,GNFPF2188,MFCD07772346,NCGC00167513-01,NCGC0016751301,DSSTox_CID_26681,DSSToxCID26681,DSSTox-CID-26681,"DSSTox CID 26681",DSSTox,T1656,760766,S1046,"NSC 760766",vandetanib,VANDETANIB
}

> <pdid>
PD003329

> <targets>
{"EGFR(HER) | VEGFR-PDGFR",PDGFR,RET,KIT,VEGFR,FMS}

> <classes>
{"Kinase inhibitor"}

> <pubchem_cids>
{3081361}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 67 68  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0
    7.7999   -1.5000    0.0000 O   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3992    0.0004    0.0000 O   0  0
   12.9006    0.0004    0.0000 C   0  0
   14.1999    0.7500    0.0000 N   0  0
   15.4999    0.0000    0.0000 C   0  0
   16.7999    0.7500    0.0000 C   0  0
   16.7999    2.2500    0.0000 O   0  0
   18.0999    0.0000    0.0000 C   0  0
   18.0999   -1.5000    0.0000 O   0  0
   19.3999    0.7500    0.0000 C   0  0
   19.3999    2.2500    0.0000 O   0  0
   20.6999    0.0000    0.0000 C   0  0
   20.6999   -1.5000    0.0000 O   0  0
   21.9999    0.7500    0.0000 C   0  0
   23.2991    0.0004    0.0000 O   0  0
   37.4417    2.9818    0.0000 C   0  0
   37.4443    1.4818    0.0000 C   0  0
   36.1456    0.7296    0.0000 O   0  0
   34.8443    1.4773    0.0000 C   0  0
   34.8443    2.9773    0.0000 O   0  0
   33.5453    3.7273    0.0000 C   0  0
   32.2462    2.9773    0.0000 C   0  0
   32.2462    1.4773    0.0000 N   0  0
   30.9449    0.7295    0.0000 C   0  0
   29.6463    1.4818    0.0000 C   0  0
   28.2927    0.8655    0.0000 N   0  0
   27.2929    1.9837    0.0000 C   0  0
   25.8006    1.8321    0.0000 O   0  0
   28.0474    3.2801    0.0000 N   0  0
   29.5135    2.9631    0.0000 N   0  0
   27.4428    4.6509    0.0000 P   0  0
   25.9516    4.8138    0.0000 O   0  0
   28.3290    5.8611    0.0000 O   0  0
   26.8381    6.0236    0.0000 O   0  0
   33.5453    0.7273    0.0000 C   0  0
   33.5453   -0.7735    0.0000 C   0  0
   32.2474   -1.5256    0.0000 C   0  0
   32.2498   -3.0256    0.0000 C   0  0
   33.5501   -3.7736    0.0000 C   0  0
   33.5524   -5.2736    0.0000 F   0  0
   34.8479   -3.0215    0.0000 C   0  0
   34.8455   -1.5215    0.0000 C   0  0
   38.7456    0.7341    0.0000 C   0  0
   40.0447    1.4841    0.0000 C   0  0
   41.3437    0.7341    0.0000 C   0  0
   41.3438   -0.7659    0.0000 C   0  0
   40.0448   -1.5159    0.0000 C   0  0
   38.7457   -0.7660    0.0000 C   0  0
   40.0448   -3.0168    0.0000 C   0  0
   41.3434   -3.7676    0.0000 F   0  0
   38.7455   -3.7664    0.0000 F   0  0
   40.0441   -4.5168    0.0000 F   0  0
   42.6435    1.4845    0.0000 C   0  0
   42.6444    2.9845    0.0000 F   0  0
   43.9423    0.7341    0.0000 F   0  0
   43.9429    2.2339    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  3
 37 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 41 36  1  0
 40 42  1  0
 42 43  2  0
 42 44  1  0
 42 45  1  0
 34 46  1  0
 46 30  1  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 51  1  0
 50 52  1  0
 52 53  2  0
 53 47  1  0
 28 54  1  0
 54 55  2  0
 55 56  1  0
 56 57  2  0
 57 58  1  0
 58 59  2  0
 59 54  1  0
 58 60  1  0
 60 61  1  0
 60 62  1  0
 60 63  1  0
 56 64  1  0
 64 65  1  0
 64 66  1  0
 64 67  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12868

> <plate>
PLATE 024

> <well>
H8

> <supplier_cmpd_name>
Fosaprepitant dimeglumine

> <ctcr_id>
3507

> <supplier_cmpd_id>
T1790

> <smiles>
CNCC(O)C(O)C(O)C(O)CO.CNCC(O)C(O)C(O)C(O)CO.CC(OC1OCCN(CC2=NC(=O)N(N2)P(=O)(O)O)C1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T1790,"Fosaprepitant dimeglumine","Fosaprepitant dimeglumine salt",S3038}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{73197500}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 N   0  3
    7.7905    3.0072    0.0000 O   0  5
    5.1925    3.0071    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3042    3.7556    0.0000 C   0  0
   -1.3088    5.2564    0.0000 C   0  0
   -0.0126    6.0112    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 10  1  0
  7 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20  3  2  0
 20  6  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
M  CHG  2  14   1  15  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12869

> <plate>
PLATE 024

> <well>
H9

> <supplier_cmpd_name>
Dinaciclib

> <ctcr_id>
6449

> <supplier_cmpd_id>
T1912

> <smiles>
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N4CCCCC4CCO

> <pd_targets>
{CCND1,CDK4,CCNA2,CDK2,CDK1,CDK5,BRD4,CCNT1,CDK9,BRDT,CDK5R1,CCNH,CDK7,MNAT1,CCNB1,CCNE1,HSF1,CDK6,TAOK1,GSK3A,GSK3B,DYRK1B,CLK4}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein",Kinase,Reader,"Protein Kinase",Bromodomain,"CMGC protein kinase group","CMGC protein kinase CDK family","CMGC protein kinase CDC2 subfamily","C
MGC protein kinase CDK5 subfamily","CMGC protein kinase CDK9 subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase group","STE protein kinase STE20 family","CMGC protein kinase GSK famil
y","CMGC protein kinase DYRK family","CMGC protein kinase CLK family","STE protein kinase TAO subfamily","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Bromodomain-containing proteins","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Enzymatic bromodomain-containin
g proteins","Non-enzymatic BRD containing proteins","Cyclin-dependent kinase (CDK) family","Bromodomain kinase (BRDK) family","CDK1 subfamily","CDK5 subfamily","CDK9 subfamily","CDK4 subfamily","STE: 
Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE20 family","Glycogen synthase kinase (GSK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CL
K family","TAO subfamily","GSK subfamily","CDK7 subfamily","Dyrk1 subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,"Cellular responses to external stimuli",Mitotic,"RNA Polymerase II Transcription","Infectious disease","Cellular responses to stress","Regulati
on of mitotic cell cycle","Generic Transcription Pathway","SARS-CoV Infections","HIV Infection","Mitotic G1 phase and G1/S transition","Cellular response to heat stress","APC/C-mediated degradation of
 cell cycle proteins","Transcriptional Regulation by TP53","Potential therapeutics for SARS","HIV Life Cycle","G1 Phase","HSF1-dependent transactivation","Activation of APC/C and APC/C:Cdc20 mediated 
degradation of mitotic proteins","Regulation of TP53 Activity","Late Phase of HIV Life Cycle","Cyclin D associated events in G1","Attenuation phase","APC/C:Cdc20 mediated degradation of mitotic protei
ns","Regulation of TP53 Activity through Phosphorylation","Regulation of TP53 Expression and Degradation","Transcription of the HIV genome","APC:Cdc20 mediated degradation of cell cycle proteins prior
 to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","HIV Transcription Elongation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of the HIV
-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat","M Phase","Mitotic Metaphase and Anaphase","SARS-CoV-1 Infection","Mitotic Anaphase","SARS-CoV-1 Genome Replication and Tran
scription","Separation of Sister Chromatids","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{CDK1,CDK2,CDK5,CDK9}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{"SCH 727965",Kinome_3849,Kinome3849,Kinome-3849,"Kinome 3849",CHEMBL2006674,SCHEMBL15637863,HMS3656B06,HMS3672I09,BCP03473,AKOS026750260,NCGC00387827-02,NCGC0038782702,AK547961,LS-14909,LS14909,T1912
,S2768,Dinaciclib,"Dinaciclib (SCH727965)"}

> <pdid>
PD003528

> <targets>
{CDK}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{16048554}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 38  0  0  0  0            999 V2000
   11.8252   -1.8845    0.0000 C   0  0
   10.8251   -0.7666    0.0000 C   0  0
   10.1194    0.4833    0.0000 C   0  0
   11.4581    1.1599    0.0000 O   0  0
   12.1347   -0.1789    0.0000 C   0  0
    9.3560   -1.0736    0.0000 C   0  0
    8.3549    0.0446    0.0000 O   0  0
    6.8858   -0.2623    0.0000 C   0  0
    5.8837    0.8539    0.0000 C   0  0
    4.4160    0.5441    0.0000 C   0  0
    3.9504   -0.8818    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7345   -2.9814    0.0000 C   0  0
    4.2013   -3.2954    0.0000 N   0  0
    4.9525   -1.9980    0.0000 C   0  0
    6.4202   -1.6882    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0008    0.0000 N   0  0
   -3.8959   -3.7529    0.0000 C   0  0
   -3.8935   -5.2529    0.0000 C   0  0
   -2.5933   -6.0009    0.0000 C   0  0
   -2.5909   -7.5009    0.0000 N   0  0
   -1.2954   -5.2488    0.0000 C   0  0
   -1.2978   -3.7488    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  2  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
 16  8  1  0
 12 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 25  1  0
 24 32  1  0
 32 20  1  0
 32 33  2  0
 33 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12870

> <plate>
PLATE 024

> <well>
H10

> <supplier_cmpd_name>
Crenolanib

> <ctcr_id>
6853

> <supplier_cmpd_id>
T2677

> <smiles>
CC1(COC1)COc2ccc3n(cnc3c2)c4ccc5cccc(N6CCC(N)CC6)c5n4

> <pd_targets>
{FLT3,CSF1R,KIT,PDGFRB,PDGFRA}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase PDGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Disease,"Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors 
and second messengers","Intracellular signaling by second messengers","Signaling by Insulin receptor","Generic Transcription Pathway","Signaling by KIT in disease","PIP3 activates AKT signaling","Sign
aling by PDGFR in disease","Insulin receptor signalling cascade","Transcriptional Regulation by VENTX","Drug resistance of KIT mutants","Negative regulation of the PI3K/AKT network","Drug resistance o
f PDGFR mutants","IRS-mediated signalling","Dasatinib-resistant KIT mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Imatinib-resistant PDGFR mutants","PI3K Cascade"}

> <broad_targets>
{CSF1R,FLT3,KIT,PDGFRA,PDGFRB}

> <broad_moa>
{"PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{"RENOLANIB (CP 868596",Crenolanib,670220-88-9,670220889,"670220 88 9","Crenolanib (CP-868596)","Crenolanib (CP868596)","Crenolanib (CP 868596)",CP-868596,CP868596,"CP 868596",ARO-002,ARO002,"ARO 002"
,UNII-LQF7I567TQ,UNIILQF7I567TQ,"UNII LQF7I567TQ","CP-868,596","CP868,596","CP 868,596","Crenolanib (USAN)",LQF7I567TQ,CP868569,"CP-868596 (Crenolanib)","CP868596 (Crenolanib)","CP 868596 (Crenolanib)
",MFCD21609260,"Crenolanib (USAN:INN)",cr,T2677,S2730}

> <pdid>
PD010692

> <targets>
{PDGFR,Autophagy,FLT3}

> <classes>
{Protein Tyrosine Kinase,Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{10366136}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 O   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0897    3.7657    0.0000 N   0  0
  -10.3910    3.0180    0.0000 C   0  0
  -10.3936    1.5180    0.0000 O   0  0
  -11.6897    3.7702    0.0000 N   0  0
  -12.9910    3.0224    0.0000 C   0  0
  -14.3424    3.6434    0.0000 C   0  0
  -15.3461    2.5287    0.0000 C   0  0
  -16.8378    2.6854    0.0000 C   0  0
  -14.5960    1.2296    0.0000 O   0  0
  -13.1288    1.5415    0.0000 N   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 19  2  0
 14 25  1  0
 25 26  1  0
 25 27  2  0
 27 11  1  0
  9 28  2  0
 28  5  1  0
 28 29  1  0
 29 30  2  0
 30  3  1  0
 30 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12871

> <plate>
PLATE 024

> <well>
H11

> <supplier_cmpd_name>
Tivozanib

> <ctcr_id>
2567

> <supplier_cmpd_id>
T2456

> <smiles>
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC

> <pd_targets>
{FLT4,EPHB2,PDGFRA,FLT1,KDR,FGF2,EGFR,PDGFRB}

> <pathway_gtopdb>
{Enzyme,"Secreted protein",Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Eph family","Tyrosine protein kinase PDGFR family","Tyrosin
e protein kinase EGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIII RTKs: 
Ephrin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,"Signaling by Receptor Tyrosine Kinases","Nervous system development","Diseases of signal transduction by growth factor receptors and second mess
engers","Signaling by GPCR","Intracellular signaling by second messengers","Signaling by VEGF","Axon guidance","Signaling by PDGFR in disease","Signaling by FGFR in disease","GPCR downstream signallin
g","PIP3 activates AKT signaling","VEGF ligand-receptor interactions","EPH-Ephrin signaling","Drug resistance of PDGFR mutants","VEGFA-VEGFR2 Pathway","Signaling by FGFR3 in disease","G alpha (q) sign
alling events","Negative regulation of the PI3K/AKT network","VEGF binds to VEGFR leading to receptor dimerization","EPHB-mediated forward signaling","Imatinib-resistant PDGFR mutants","VEGFR2 mediate
d cell proliferation","Signaling by FGFR3 point mutants in cancer","Gastrin-CREB signalling pathway via PKC and MAPK",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","FGFR3 mutant receptor activation
","EGFR Transactivation by Gastrin","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FLT1,FLT4,KDR,KIT,PDGFRA,PDGFRB}

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{"IVOZANIB (AV951","IVOZANIB (AV 951",Tivozanib,475108-18-0,475108180,"475108 18 0",AV-951,AV951,"AV 951","Tivozanib (AV-951)","Tivozanib (AV951)","Tivozanib (AV 951)",KRN-951,KRN951,"KRN 951",UNII-17
2030934T,UNII172030934T,"UNII 172030934T",CHEMBL1289494,AV-951;KRN951,AV951;KRN951,"AV 951;KRN951",AV-951(Tivozanib),AV951(Tivozanib),"AV 951(Tivozanib)",172030934T,fotivda,Kil-8951,Kil8951,"Kil 8951"
,ASP-4130,ASP4130,"ASP 4130","Tivozanib (USAN:INN)",4ase,KIL8951,T,T2456,S1207,"EMD 676483",tivozanib,676483}

> <pdid>
PD003428

> <targets>
{VEGFR-PDGFR,PDGFR,VEGFR,c-Kit}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{9911830}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -3.9069    5.2492    0.0000 N   0  0
   -5.2089    5.9957    0.0000 C   0  0
   -5.3543    7.4758    0.0000 C   0  0
   -6.8231    7.7802    0.0000 C   0  0
   -7.4401    9.1474    0.0000 C   0  0
   -7.5665    6.4774    0.0000 N   0  0
   -6.5572    5.3678    0.0000 N   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 S   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7846   -1.5163    0.0000 C   0  0
   -7.7770   -3.0163    0.0000 C   0  0
   -6.4742   -3.7597    0.0000 C   0  0
   -6.4636   -5.2605    0.0000 N   0  0
   -5.1590   -6.0025    0.0000 C   0  0
   -3.8651   -5.2437    0.0000 O   0  0
   -5.1483   -7.5033    0.0000 C   0  0
   -4.3923   -8.7072    0.0000 C   0  0
   -5.8923   -8.7147    0.0000 C   0  0
   -5.1790   -3.0032    0.0000 C   0  0
   -5.1866   -1.5032    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 12  2  0
 10 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
 24 31  1  0
 31 32  2  0
 32 21  1  0
 19 33  2  0
 33  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12872

> <plate>
PLATE 025

> <well>
A2

> <supplier_cmpd_name>
Tozasertib

> <ctcr_id>
5907

> <supplier_cmpd_id>
T2509

> <smiles>
CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2

> <pd_targets>
{MAPKAPK2,NTRK1,MAP4K4,MAP4K1,STK4,AAK1,LYN,SRC,KDR,KIT,PDGFRA,CAMK1,NUAK1,MAP4K3,CHEK1,BRSK1,TYRO3,ROS1,RPS6KA2,CDKL5,TBK1,RIOK2,TAOK1,DDR1,MERTK,MET,TIE1,ABL1,FGFR1,LCK,PRKAA1,CSK,PRPF4B,CDKL2,MAP2K
5,AURKC,FLT3,AURKAIP1,INSR,PRKAA2,CDK16,JAK2,RET,MYLK,IKBKE,STK11,MARK3,AURKA,AURKB,PLK4,ALK,AURKB-A,PAK4,PAK2,MST1R,EIF2AK4,INSRR,NTRK3,EPHA2,EPHA1,TYK2,LIMK1,TESK1,PHKG1,PIP5K1A,MAP3K10,MYLK2,JAK3,N
EK5,PKN1,WEE2,SBK3,MELK,SYK,TNK1,SIK1,BCR,YES1,MAP2K2,CSNK2A1,MAP3K9,RIOK1,MAP3K11,CAMK1D,PAK3,PAK1,LIMK2,EPHA3,STK10,STK26,IGF1R,EPHB1,EPHB4,MYLK4,BTK,TEC,TGFBR1,PKNB,MAPK10,TNIK,PTK2B,DCLK3,MYLK3,CS
NK2A2,FGFR3,MAP3K4,STK24,MAP2K1,SIK2,MAP3K13,FER,PKN2,ABL2,STK3,GAK,ACVR1,BLK,FYN,FLT1,RIOK3,DDR2,ACVRL1,LATS1,LATS2,PRKCQ,PRKD2,FGFR4,FGR,MAP3K12,RIPK1,MINK1,MAP3K3,EPHB6,SRPK3,RIPK4,CDK11A,CSF1R,FRK
,MAP3K19,EPHA4,FGFR2,ITK,CDKL3,ERBB3,SLK,TEK,TAOK3,BMPR2,RPS6KB1,PDGFRB,NTRK2,FES,MAPK14,SRPK1,PAK5,MAP2K6,BMX,MAP4K5,RPS6KA3,MARK2,MARK1,DAPK3,TXK,IRAK3,RPS6KA1,JAK1,PHKG2,STK16,CDK11B,STK25,MARK4,WE
E1,TLK1,MUSK,AXL,CDK19,MAP3K7,LRRK2,NUAK2,BMP2K,PIP4K2B,TAOK2,BMPR1B,ANKK1,ERN1,CDK17,CAMKK1,ULK3,SRPK2,HUNK,EPHA6,EGFR,FLT4,EPHA8,GRK4,LTK,TNK2,NEK7,MAP3K20,MKNK2,MAP3K2,TTK,PAK6,HCK,MAPK7,DLK1,CYP19
A1,MAP4K2,IRAK4,EPHB2,STK17A,P2RY14,PRKCZ,STK38L,PDPK1,CAMK1G}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor",Kinase,Transferase,"Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 19","Small molecule receptor (fam
ily A GPCR)","CAMK protein kinase group","TK protein kinase group","STE protein kinase group","Other protein kinase group","AGC protein kinase group","CMGC protein kinase group","Atypical protein kina
se group","TKL protein kinase group","Cytochrome P450 family 19A","Nucleotide-like receptor (family A GPCR)","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Trk family","STE protein kina
se STE20 family","Other protein kinase NAK family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK1 family"
,"Tyrosine protein kinase Axl family","Tyrosine protein kinase Sev family","AGC protein kinase RSK family","CMGC protein kinase CDKL family","Other protein kinase IKK family","Atypical protein kinase 
RIO family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Abl family","Tyrosine protein kinase FGFR family","T
yrosine protein kinase Csk family","STE protein kinase STE7 family","Other protein kinase AUR family","Tyrosine protein kinase InsR family","CMGC protein kinase CDK family","Tyrosine protein kinase Ja
kA family","Tyrosine protein kinase Ret family","CAMK protein kinase MLCK family","Other protein kinase PLK family","TKL protein kinase STKR family","Other protein kinase PEK family","Tyrosine protein
 kinase Eph family","TKL protein kinase LISK family","CAMK protein kinase PHk family","TKL protein kinase MLK family","Other protein kinase NEK family","AGC protein kinase PKN family","Other protein k
inase WEE family","Other protein kinase NKF1 family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Ack family","Atypical protein kinase BCR family","Other protein kinase CK2 family","T
yrosine protein kinase Tec family","CMGC protein kinase MAPK family","Tyrosine protein kinase Fak family","CAMK protein kinase DCAMK1 family","STE protein kinase STE11 family","Tyrosine protein kinase
 Fer family","AGC protein kinase NDR family","AGC protein kinase PKC family","CAMK protein kinase PKD family","TKL protein kinase RIPK family","CMGC protein kinase SRPK family","Tyrosine protein kinas
e EGFR family","CAMK protein kinase DAPK family","TKL protein kinase IRAK family","Other protein kinase TLK family","Tyrosine protein kinase Musk family","TKL protein kinase LRRK family","Other protei
n kinase CAMKK family","Other protein kinase ULK family","AGC protein kinase GRK family","Tyrosine protein kinase Alk family","Other protein kinase TTK family","Cytochrome P450 19A1","Purine receptor"
,"AGC protein kinase PDK1 subfamily","CAMK protein kinase MAPKAPK subfamily","STE protein kinase MSN subfamily","STE protein kinase KHS subfamily","STE protein kinase MST subfamily","CAMK protein kina
se NuaK subfamily","CAMK protein kinase CHK1 subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase RSK subfamily","Atypical protein kinase RIO2 subfamily","STE protein kinase TAO subfami
ly","CAMK protein kinase AMPK subfamily","CMGC protein kinase TAIRE subfamily","CAMK protein kinase LKB subfamily","CAMK protein kinase MARK subfamily","TKL protein kinase STKR Type 1 subfamily","STE 
protein kinase PAKB subfamily","STE protein kinase PAKA subfamily","Other protein kinase GCN2 subfamily","TKL protein kinase LIMK subfamily","TKL protein kinase TESK subfamily","TKL protein kinase MLK
 subfamily","Other protein kinase WEE1","CAMK protein kinase MELK subfamily","CAMK protein kinase QIK subfamily","Atypical protein kinase RIO1 subfamily","STE protein kinase SLK subfamily","STE protei
n kinase YSK subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase LZK subfamily","TKL protein kinase STKR1","Tyrosine protein kinase SrcA","Atypical protein kinase RIO3 subfamily","AGC p
rotein kinase PKC delta subfamily","STE protein kinase MEKK2","CMGC protein kinase PITSLRE subfamily","TKL protein kinase STKR Type 2 subfamily","AGC protein kinase p70 subfamily","CMGC protein kinase
 p38 subfamily","CMGC protein kinase CDK8 subfamily","TKL protein kinase TAK1 subfamily","CMGC protein kinase PCTAIRE","Other protein kinase Meta subfamily","AGC protein kinase GRK subfamily","CAMK pr
otein kinase MNK subfamily","CMGC protein kinase ERK5","AGC protein kinase PKC iota subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","G protein-coupled receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"Lipid modifying kinases",CYP11,CYP17,CYP19,"CYP2
0 and CYP21 families","P2Y receptors","MAPK-Activated Protein Kinase (MAPKAPK) family","TK: Tyrosine kinase","STE20 family","Other protein kinases","CAMK1 family","CAMK-like (CAMKL) family","RSK famil
y","Cyclin-dependent kinase-like (CDKL) family","RIO family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE7 family","Cyclin-dependent kinase (CDK) family","Myosin
 Light Chain Kinase (MLCK) family","TKL: Tyrosine kinase-like","Phosphorylase kinase (PHK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Protein kinase N (PKN) fam
ily","Mitogen-activated protein kinases (MAP kinases)","DCAMKL family","STE11 family","NDR family","Protein kinase C (PKC) family","Protein kinase D (PKD) family","SRPK family","Death-associated kinas
e (DAPK) family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","G protein-coupled receptor kinases (GRKs)","PDK1 family","MAPKAPK subfamily","Receptor tyrosine kinases (RT
Ks)","MSN subfamily","KHS subfamily","MST subfamily","NAK family","Non-receptor tyrosine kinases (nRTKs)","NuaK subfamily","CHK1 subfamily","BRSK subfamily","RSK subfamily","IKK family","RIO2 subfamil
y","TAO subfamily","AMPK subfamily","PRP4 subfamily","Aurora kinase (Aur) family","TAIRE subfamily","LKB subfamily","MARK subfamily","Polo-like kinase (PLK) family","PAKB subfamily","PAKA subfamily","
PEK family","LIM domain kinase (LISK) family","Mixed Lineage Kinase (MLK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","WEE family","NKF1 family","MELK subfamily","QIK subfami
ly","Casein kinase 2 (CK2) family","RIO1 subfamily","SLK subfamily","YSK subfamily","Receptor serine/threonine kinase (RSTK) family","JNK subfamily","Numb-associated kinase (NAK) family","RIO3 subfami
ly","Delta subfamily","Receptor interacting protein kinase (RIPK) family","PITSLRE subfamily","STE20 subfamily","p70 subfamily","p38 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family"
,"Tousled-like kinase (TLK) family","CDK8 subfamily","Leucine-rich repeat kinase (LRRK) family","IRE family","CAMKK family","Unc-51-like kinase (ULK) family","HUNK subfamily","GRK4 subfamily","MKN sub
family","TTK family","ERK subfamily","Iota subfamily","Type VII RTKs: Neurotrophin receptor/Trk family","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III
 RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XVII RTKs: ROS receptors","Type XVI RTKs: DDR (collagen receptor) family","Type X RTK
s: HGF (hepatocyte growth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Csk family","Type I
I RTKs: Insulin receptor family","Janus kinase (JakA) family","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","GCN2 subfamily","Type XIII RTKs: Ephrin receptor fa
mily","LIMK subfamily","TESK subfamily","MLK subfamily","Syk family","Ack family","Tec family","Type I receptor serine/threonine kinases","Fak family","LZK subfamily","Fer family","Type I RTKs: ErbB (
epidermal growth factor) receptor family","Type II receptor serine/threonine kinases","Type IX RTKs: MuSK","TAK1 subfamily","Meta subfamily"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Cellular responses to external stimuli","Vesicle-mediated transport",Disease,"Neuronal System","Gene expression (Transcription)","DNA Repair","Metabolism of RNA
","Cell Cycle","Extracellular matrix organization",Hemostasis,"Developmental Biology","Metabolism of proteins","Cell-Cell communication",Metabolism,"Circadian Clock","Programmed Cell Death","Organelle
 biogenesis and maintenance","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Cellular responses to stress","Signaling by Hippo","Membrane Trafficking","Infectious disease","Diseases o
f signal transduction by growth factor receptors and second messengers","Transmission across Chemical Synapses","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","rRNA processing",Mit
otic,"Non-integrin membrane-ECM interactions","Cell surface interactions at the vascular wall","Nervous system development",Translation,"Intracellular signaling by second messengers","Signaling by Rho
 GTPases","Cytokine Signaling in Immune system","Cell junction organization","Metabolism of carbohydrates","Metabolism of lipids",Apoptosis,"Signaling by TGFB family members","Signaling by GPCR","Adap
tive Immune System","MAPK family signaling cascades","MTOR signalling","Cilium Assembly","Cell Cycle Checkpoints","ECM proteoglycans","Signaling by Non-Receptor Tyrosine Kinases","Unfolded Protein Res
ponse (UPR)","Signaling by Hedgehog","Signaling by NOTCH","Biological oxidations","Signaling by Nuclear Receptors","Toll-like Receptor Cascades","Signaling by NTRKs","Cellular Senescence","Clathrin-me
diated endocytosis","Leishmania infection","Signaling by VEGF","Signaling by KIT in disease","Signaling by PDGFR in disease","Neurotransmitter receptors and postsynaptic signal transmission","Generic 
Transcription Pathway","Homology Directed Repair","rRNA processing in the nucleus and cytosol","M Phase","Axon guidance","Signaling by FGFR in disease","HIV Infection","Oncogenic MAPK signaling","Sign
aling by Insulin receptor","Mitochondrial translation","PIP3 activates AKT signaling","Mitotic G1 phase and G1/S transition","RHO GTPase Effectors","Mitotic G2-G2/M phases","Signaling by MST1","Respon
se of EIF2AK4 (GCN2) to amino acid deficiency","Interferon Signaling","Cell-extracellular matrix interactions","Glycogen metabolism","Phospholipid metabolism","Signaling by Interleukins","Neutrophil d
egranulation","Apoptotic execution phase","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by SCF-KIT","trans-Golgi Net
work Vesicle Budding","Signaling by BMP","GPCR downstream signalling","Sphingolipid metabolism","Signaling by FGFR","TCR signaling","MAPK1/MAPK3 signaling","mTORC1-mediated signalling","Caspase activa
tion via extrinsic apoptotic signalling pathway","Fc epsilon receptor (FCERI) signaling","Anchoring of the basal body to the plasma membrane","G2/M Checkpoints","Regulation of lipid metabolism by PPAR
alpha","Signaling by PTK6","IRE1alpha activates chaperones","Hedgehog 'on' state","Signaling by NOTCH1","Phase I - Functionalization of compounds","GPCR ligand binding","ESR-mediated signaling","Toll 
Like Receptor 5 (TLR5) Cascade","Signaling by NTRK1 (TRKA)","Oxidative Stress Induced Senescence","Cargo recognition for clathrin-mediated endocytosis","Leishmania parasite growth and survival","VEGFA
-VEGFR2 Pathway","Drug resistance of KIT mutants","Drug resistance of PDGFR mutants","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","HDR through Homologous
 Recombination (HRR) or Single Strand Annealing (SSA)","Toll Like Receptor 4 (TLR4) Cascade","Major pathway of rRNA processing in the nucleolus and cytosol","Mitotic Metaphase and Anaphase","Semaphori
n interactions","Parasite infection","Signaling by FGFR1 in disease","Host Interactions of HIV factors","Signaling by RAS mutants","Insulin receptor signalling cascade","Mitochondrial translation elon
gation","Negative regulation of the PI3K/AKT network","G1 Phase","RET signaling","RHO GTPases activate PAKs","G2/M Transition","Signaling by ROBO receptors","Signaling by NTRK3 (TRKC)","EPH-Ephrin sig
naling","Interferon alpha/beta signaling","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","Glycogen breakdown (glycogenolysis)","PI Metabolism","Interleukin-2 fami
ly signaling","RHO GTPases activate PKNs","Apoptotic cleavage of cellular proteins","IGF1R signaling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Loss of Function of SMAD2/3 in Cancer"
,"Signaling by FGFR3 in disease","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX1","VEGF ligand-receptor interactions","G alpha (i) signalling events","Sphingolipid de novo b
iosynthesis","Signaling by FGFR4","Interleukin-1 family signaling","Transcriptional Regulation by VENTX","PTEN Regulation","Signaling by FGFR2 in disease","Generation of second messenger molecules","R
AF/MAP kinase cascade","Caspase activation via Dependence Receptors in the absence of ligand","FCERI mediated Ca+2 mobilization","Toll Like Receptor 2 (TLR2) Cascade","Antiviral mechanism by IFN-stimu
lated genes","G2/M DNA damage checkpoint","PPARA activates gene expression","PTK6 promotes HIF1A stabilization","G alpha (q) signalling events","Mitotic Prophase","Activated NOTCH1 Transmits Signal to
 the Nucleus","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Extra-nuclear estrogen signaling","MyD88 cascade initiated on plasma membrane","Signalling to ERKs"
,"Anti-inflammatory response favouring Leishmania parasite infection","VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","Post NMDA receptor acti
vation events","Regulation of TP53 Activity","HDR through Homologous Recombination (HRR)","MyD88-independent TLR4 cascade","Mitotic Anaphase","Sema4D in semaphorin signaling","Leishmania phagocytosis"
,"FGFR1 mutant receptor activation","The role of Nef in HIV-1 replication and disease pathogenesis","Signaling downstream of RAS mutants","Signalling to ERK5","IRS-mediated signalling",PI5P,"PP2A and 
IER3 Regulate PI3K/AKT Signaling","Cyclin D associated events in G1","Centrosome maturation","Activation of RAC1","Activated NTRK3 signals through PI3K","EPHA-mediated growth cone collapse","Regulatio
n of IFNA signaling","Synthesis of PIPs at the plasma membrane","Interleukin-15 signaling","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Ephrin sig
naling","EPHB-mediated forward signaling","IRS-related events triggered by IGF1R","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Interleukin-2 signaling","Signaling by FGFR3 point mutants in cance
r","Role of ABL in ROBO-SLIT signaling","RUNX1 regulates transcription of genes involved in BCR signaling","VEGF binds to VEGFR leading to receptor dimerization","Visual phototransduction","Downstream
 signaling of activated FGFR4","Interleukin-1 signaling","Regulation of PTEN stability and activity","FGFR2 mutant receptor activation","Activation of TRKA receptors","CRMPs in Sema3A signaling","Toll
 Like Receptor TLR6:TLR2 Cascade","ISG15 antiviral mechanism","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Gastrin-CREB signalling pathway via PKC and MAPK","Nuclear Envelope Brea
kdown","Endogenous sterols","Nucleotide-like (purinergic) receptors","Estrogen-stimulated signaling through PRKCZ","MAP kinase activation","Prolonged ERK activation events","FCGR3A-mediated IL10 synth
esis","Signalling to RAS","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Activity through Phosphorylation","Homologous DNA Pairing and Strand Exchange","TRIF(TICAM1)-mediated TLR4 signa
ling","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","FCGR3A-mediated phagocytosis","Signaling by activated point mutants of FGFR1","Nef-mediates down 
modulation of cell surface receptors by recruiting them to clathrin adapters","PI3K Cascade","Loss of proteins required for interphase microtubule organization from the centrosome","Nef and signal tra
nsduction","Sema4D induced cell migration and growth-cone collapse","FGFR3 mutant receptor activation","The phototransduction cascade","FRS-mediated FGFR4 signaling","Recruitment of mitotic centrosome
 proteins and complexes","Activated point mutants of FGFR2","NGF-independant TRKA activation","Regulation of TP53 Activity through Acetylation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane",
"EGFR Transactivation by Gastrin","Activation of NIMA Kinases NEK9",NEK6,NEK7,"P2Y receptors","Regulation of TP53 Expression and Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","AR
MS-mediated activation","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","Lo
ss of Nlp from mitotic centrosomes","Frs2-mediated activation","Signaling by activated point mutants of FGFR3",Inactivation,"recovery and regulation of the phototransduction cascade","IKK complex recr
uitment mediated by RIP1","PI5P Regulates TP53 Acetylation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Regulation of TP53 Degradation","CREB phosphorylation","Activation of the AP
-1 family of transcription factors","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{X68,Tozasertib,639089-54-6,639089546,VX-680,VX680,MK-0457,MK0457,"MK 0457","VX 680","VX-680 (MK-0457,Tozasertib)","VX680 (MK0457,Tozasertib)",UNII-234335M86K,UNII234335M86K,VX-68,VX68,"Tozasertib (VX
-680)","Tozasertib (VX680)",MK-045,MK045,L-001281814,L001281814,CHEMBL572878,936915-58-1,936915581,VX6,234335M86K,"Tozasertib (USAN)","Tozasertib (USAN:INN)","VE 465",T2509,S1048,TOZASERTIB}

> <pdid>
PD003407

> <targets>
{Aurora,ABL,"AURORA KINASES",FLT3,"Aurora Kinase",Autophagy}

> <classes>
{Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{5494449}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.6199    3.9799    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -6.4462    1.8312    0.0000 C   0  0
   -4.8211    4.6570    0.0000 N   0  0
   -6.3142    4.8094    0.0000 N   0  0
   -6.9296    6.1782    0.0000 C   0  0
   -6.0500    7.3933    0.0000 C   0  0
   -6.6623    8.7626    0.0000 C   0  0
   -8.1544    8.9169    0.0000 C   0  0
   -9.0340    7.7020    0.0000 C   0  0
   -8.4217    6.3326    0.0000 C   0  0
   -9.3014    5.1177    0.0000 O   0  0
  -10.5268    7.8564    0.0000 C   0  0
  -11.1415    9.2248    0.0000 C   0  0
  -12.6337    9.3767    0.0000 C   0  0
  -13.5115    8.1604    0.0000 C   0  0
  -12.8970    6.7920    0.0000 C   0  0
  -11.4047    6.6400    0.0000 C   0  0
  -13.2514   10.7446    0.0000 C   0  0
  -14.7439   10.8944    0.0000 O   0  0
  -12.3758   11.9625    0.0000 O   0  0
    2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12 13  1  0
 13  8  1  0
 12 14  1  0
 11 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 17  1  0
 22 23  1  0
 21 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 28  1  0
 28 29  2  3
 29 24  1  0
 26 30  1  0
 30 31  2  0
 30 32  1  0
  3 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12873

> <plate>
PLATE 025

> <well>
A3

> <supplier_cmpd_name>
Eltrombopag

> <ctcr_id>
7490

> <supplier_cmpd_id>
T2562

> <smiles>
CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Eltrombopag,496775-61-2,496775612,Promacta,Revolade,SB497115,UNII-S56D65XJ9G,UNIIS56D65XJ9G,"Eltrombopag free base",SB-497115,CHEMBL461101,S56D65XJ9G,CHEMBL3186485,CHEBI:85010,"Eltrombopag (SB-497115
-GR)","Eltrombopag (SB497115GR)","496775-61-2 (free base)","496775612 (free base)",NCGC00274067-01,NCGC0027406701,1807882-48-9,1807882489,Eltrombopa,S2229}

> <pdid>

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{135449332}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -1.3040   -9.7511    0.0000 C   0  0
   -0.0032  -10.4997    0.0000 N   0  0
   -0.0001  -12.0006    0.0000 C   0  0
    1.2989  -12.7506    0.0000 N   0  0
    1.2989  -14.2506    0.0000 C   0  0
   -0.0001  -15.0006    0.0000 C   0  0
   -1.2992  -14.2507    0.0000 C   0  0
   -1.2992  -12.7507    0.0000 N   0  0
   -2.5988  -15.0010    0.0000 C   0  0
   -2.6013  -16.5011    0.0000 C   0  0
   -3.9015  -17.2490    0.0000 C   0  0
   -5.1994  -16.4970    0.0000 C   0  0
   -5.1970  -14.9970    0.0000 N   0  0
   -3.8968  -14.2490    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 14 29  1  0
 29 30  2  0
 30 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12874

> <plate>
PLATE 025

> <well>
A4

> <supplier_cmpd_name>
Mocetinostat

> <ctcr_id>
5444

> <supplier_cmpd_id>
T2512

> <smiles>
Nc1ccccc1NC(=O)c2ccc(CNc3nccc(n3)c4cccnc4)cc2

> <pd_targets>
{HDAC1,HDAC2,HDAC3,HDAC8,NCOR2,HDAC11,HDAC6,CYP3A4,NCOR1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,"Cytochrome P450","Histone deacetylase","Cytochrome P450 family 3","HDAC class I","HDAC class IV","HDAC class IIb","Cytochrome P450 family 3A","Cytochrome P450 3A
4"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","3.5.1.- Histone deacetylases (HDACs)","CYP3 family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle",Metabolism,"Disorders of Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Diseases of signal transduction by growth factor rece
ptors and second messengers","Metabolism of lipids","Disorders of Nervous System Development","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Biosynthesis of specialized pro
resolving mediators (SPMs)","Pervasive developmental disorders","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcript
ional regulation by RUNX2","Biosynthesis of DHA-derived SPMs","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Do
main Mutants","RUNX2 regulates bone development","Biosynthesis of maresins","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability 
to the NCoR/SMRT complex","Separation of Sister Chromatids","RUNX2 regulates osteoblast differentiation","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{HDAC1,HDAC11,HDAC2,HDAC3}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Mocetinostat,726169-73-9,726169739,MGCD0103,MGCD-0103,"MGCD 0103","Mocetinostat (MGCD0103)",N-(2-aminophenyl)-4-(((4-pyridin-3-ylpyrimidin-2-yl)amino)methyl)benzamide,N(2aminophenyl)4(((4pyridin3ylpy
rimidin2yl)amino)methyl)benzamide,UNII-A6GWB8T96J,UNIIA6GWB8T96J,"MG 0103","Mocetinostat (MGCD0103, MG0103)",A6GWB8T96J,"Mocetinostat (MGC",T2512,S1122}

> <pdid>
PD011124

> <targets>
{HDAC Inhibitors,Apoptosis,Autophagy,HDAC}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{9865515}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    4.8089   -4.6669    0.0000 O   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 S   0  0
    2.5987   -1.5004    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 N   0  0
    6.4437   -1.8466    0.0000 C   0  0
    7.3222   -3.0635    0.0000 C   0  0
    8.8147   -2.9143    0.0000 C   0  0
    9.6903   -4.1323    0.0000 C   0  0
    9.0732   -5.4995    0.0000 C   0  0
    7.5807   -5.6488    0.0000 C   0  0
    6.7052   -4.4308    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  4 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 15  1  0
 24 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12875

> <plate>
PLATE 025

> <well>
A5

> <supplier_cmpd_name>
Tideglusib

> <ctcr_id>
2398

> <supplier_cmpd_id>
T3067

> <smiles>
O=C1SN(C(=O)N1Cc2ccccc2)c3cccc4ccccc34

> <pd_targets>
{GSK3B,REP}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase GSK family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Kinases (EC 2.7.x.x)","Anti-infective targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Viral protein targets","Glycogen synthase kinase (GSK) family","Corona
virus (CoV) proteins","GSK subfamily"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-1 Infection","SARS-CoV-2 Infection","SARS-CoV-1 Genome Replication and Transcription","SARS-CoV-2 Genome Replication and Transcription","R
eplication of the SARS-CoV-1 genome","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{GSK3B}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{Tideglusib(NP-031112),Tideglusib(NP031112),Tideglusib,865854-05-3,865854053,NP031112,NP-12,NP12,"4-Benzyl-2-(naphthalen-1-yl)-1,2,4-thiadiazolidine-3,5-dione","4Benzyl2(naphthalen1yl)1,2,4thiadiazoli
dine3,5dione",UNII-Q747Y6TT42,UNIIQ747Y6TT42,"NP 031112",NP-031112,Q747Y6TT42,"1,2,4-Thiadiazolidine-3,5-dione, 2-(1-naphthalenyl)-4-(phenylmethyl)-","1,2,4Thiadiazolidine3,5dione, 2(1naphthalenyl)4(p
henylmethyl)",T3067,S2823}

> <pdid>
PD012719

> <targets>
{GSK-3}

> <classes>
{PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{11313622}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 S   0  0
   -5.8532   -1.3040    0.0000 C   0  0
   -7.3541   -1.3071    0.0000 C   0  0
   -8.1026   -2.6079    0.0000 N   0  0
   -9.6026   -2.6133    0.0000 C   0  0
  -10.3481   -3.9149    0.0000 C   0  0
   -9.5936   -5.2113    0.0000 O   0  0
   -8.0936   -5.2061    0.0000 C   0  0
   -7.3481   -3.9045    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
  9 19  2  0
 19 20  1  0
 20  7  1  0
 20 21  2  0
 21  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12876

> <plate>
PLATE 025

> <well>
A6

> <supplier_cmpd_name>
Fabomotizole

> <ctcr_id>
11335

> <supplier_cmpd_id>
T1864

> <smiles>
CCOc1ccc2[nH]c(SCCN3CCOCC3)nc2c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{173352-21-1,173352211,Fabomotizole,Afobazole,Obenoxazine,"CM 346",UNII-0F8K1X115C,UNII0F8K1X115C,"Fabomotizole (INN)",4-(2-((5-ethoxy-1H-benzo(d)imidazol-2-yl)thio)ethyl)morpholine,4(2((5ethoxy1Hbenz
o(d)imidazol2yl)thio)ethyl)morpholine,4-(2-((6-ethoxy-1H-benzimidazol-2-yl)sulfanyl)ethyl)morpholine,4(2((6ethoxy1Hbenzimidazol2yl)sulfanyl)ethyl)morpholine,0F8K1X115C,CM346,Obeno,T1864}

> <pdid>
PD072913

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{9862937}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    6.3090   -5.7131    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 N   0  0
   -2.6109    7.4988    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.7616   -9.1692    0.0000 C   0  0
   -2.6947   -6.3191    0.0000 C   0  0
   -3.6951   -7.4368    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
  9 16  2  0
 16 17  1  0
 17 18  2  0
 18  7  1  0
 18 19  1  0
 19  5  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12877

> <plate>
PLATE 025

> <well>
A7

> <supplier_cmpd_name>
Pracinostat

> <ctcr_id>
7417

> <supplier_cmpd_id>
T1890

> <smiles>
CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC

> <pd_targets>
{HDAC2,HDAC5,HDAC11,HDAC3,HDAC10,HDAC6,HDAC4,HDAC8,HDAC1,HDAC9,HDAC7}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIa","HDAC class IV","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Disorders of Developmental
 Biology",Mitotic,"Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","M Phase","Transcriptional Regulation by TP53","Signaling by NOTCH1 HD+PEST 
Domain Mutants in Cancer","Pervasive developmental disorders","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Regulation of TP53 Activity","Constitutive Signaling by NOTCH1 HD+
PEST Domain Mutants","Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone development","Mitotic Anaphase","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability
 to the NCoR/SMRT complex","RUNX2 regulates osteoblast differentiation","RUNX2 regulates chondrocyte maturation","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA"}

> <broad_targets>
{HDAC1,HDAC10,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Pracinostat,929016-96-6,929016966,SB939,"SB 939","Pracinostat (SB939)",SB-939,UNII-GPO2JN4UON,UNIIGPO2JN4UON,GPO2JN4UON,CHEMBL1851943,"Pracinostat (INN)",pracinostatum,"SB939,Pracinostat",Pracinostat
(SB939),"SB939 (Pracinostat)",cc-70,cc70,MLS006011217,SCHEMBL833,S1515}

> <pdid>
PD010994

> <targets>
{HDAC}

> <classes>
{}

> <pubchem_cids>
{49855250}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 N   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 N   0  0
    7.7985   -1.4932    0.0000 C   0  0
    8.9127   -0.4902    0.0000 N   0  0
    8.3026    0.8801    0.0000 C   0  0
    6.8108    0.7233    0.0000 N   0  0
    6.4994   -0.7432    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12  4  1  0
 12  8  2  0
  2 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 15  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 13  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12878

> <plate>
PLATE 025

> <well>
A8

> <supplier_cmpd_name>
Duvelisib

> <ctcr_id>
2672

> <supplier_cmpd_id>
T1988

> <smiles>
CC(Nc1ncnc2nc[nH]c12)C3=Cc4cccc(Cl)c4C(=O)N3c5ccccc5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{"PI145 (INK1197",IPI-145;INK1197,IPI145;INK1197,8-chloro-2-phenyl-3-((1S)-1-(7H-purin-6-ylamino)ethyl)isoquinolin-1-one,8chloro2phenyl3((1S)1(7Hpurin6ylamino)ethyl)isoquinolin1one,"Duvelisib R enanti
omer","Duvelisib, INK-1197","Duvelisib, INK1197",SCHEMBL153544,CHEMBL3969872,SCHEMBL19457406,SCHEMBL20580106,HMS3652L16,HMS3748K21,1261590-48-0,1261590480,AKOS0,T1988,S7028,Duvelisib,"IPI-145 (INK1197
)"}

> <pdid>
PD056013

> <targets>
{PI3K}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{58008990}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 21  0  0  1  0            999 V2000
    5.3192   -0.2597    0.0000 C   0  0
    4.1500    0.6800    0.0000 C   0  0  1  0  0  0
    2.5200    0.3600    0.0000 C   0  0
    2.3100   -1.1700    0.0000 C   0  0
    1.3300   -1.6300    0.0000 C   0  0
    0.1900   -1.1200    0.0000 C   0  0
    0.0000    0.3600    0.0000 C   0  0
   -1.5600    0.8100    0.0000 C   0  0  2  0  0  0
   -3.0100    0.3400    0.0000 C   0  0
   -3.9100    1.5700    0.0000 C   0  0  2  0  0  0
   -5.4100    1.5671    0.0000 O   0  0
   -3.0100    2.8100    0.0000 C   0  0
   -1.5600    2.3300    0.0000 C   0  0  1  0  0  0
    0.0000    2.8600    0.0000 C   0  0  1  0  0  0
    1.1178    1.8598    0.0000 O   0  0
    0.3300    4.3600    0.0000 C   0  0
    2.3100    4.3400    0.0000 C   0  0
    2.6310    5.8738    0.0000 C   0  0
    2.2348    4.4271    0.0000 O   0  0
    4.1100    2.4200    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 13 12  1  1
 13  8  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12879

> <plate>
PLATE 025

> <well>
A9

> <supplier_cmpd_name>
Brefeldin A

> <ctcr_id>
7964

> <supplier_cmpd_id>
T6062

> <smiles>
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)\C=C\C(=O)O1

> <pd_targets>
{NR0B1,THRB,PRNP,TGR,KMT2A,MEN1}

> <pathway_gtopdb>
{"Transcription factor","Surface antigen",Enzyme,"Epigenetic regulator","Nuclear receptor",Reader,"Nuclear hormone receptor subfamily 0","Nuclear hormone receptor subfamily 1",Bromodomain,"Nuclear hor
mone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 0 group B member 1","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","0B. DAX-like receptors","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","Developmental Biology","RNA Polymerase II Transcription","Post-translational protein modification","Nervous system development","Generic Tr
anscription Pathway",SUMOylation,"Axon guidance","Nuclear Receptor transcription pathway","SUMO E3 ligases SUMOylate target proteins","NCAM signaling for neurite out-growth","SUMOylation of intracellu
lar receptors","NCAM1 interactions"}

> <broad_targets>
{ARF1,CYTH2}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{"brefeldin A",Cyanein,Decumbin,NSC56310,NSC89671,20350-15-6,20350156,SMR001565520,MLS002701937,MLS002702862,NSC107456,NSC244390,"B 174987","(+)-4-epi-Brefeldin A","(+)4epiBrefeldin A",SCHEMBL4345242,
CHEMBL1734306,60132-23-2,60132232,BFA,CP-0070,CP0070,J3.554.023G}

> <pdid>
PD003694

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5351204}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  0  0            999 V2000
   10.4029   -2.9841    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   14.2982   -0.7278    0.0000 O   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3164   -2.2191    0.0000 C   0  0
   -1.3163   -2.2193    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 13  1  0
 19 20  1  0
 19 21  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12880

> <plate>
PLATE 025

> <well>
A10

> <supplier_cmpd_name>
Retinol

> <ctcr_id>
1451

> <supplier_cmpd_id>
T1183

> <smiles>
CC(=C\CO)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

> <pd_targets>
{TSHR,MAPT,FFP,ALOX15,LGB,ALDH1A1,RBP4,NR2C2,KMT2A,MEN1,RORC,CYP3A4,RDH12,DHRS3,ALDH1A3,RETSAT,RDH11,DHRS4,RDH14,RDH8,LRAT,RDH5,RDH13,ALDH1A2,FTL}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other cytosolic protein","Unclassified protein","Secreted protein","Transcription factor","Epigenetic regulator","Family A G protein-coupled receptor",Protease,Transferase
,Oxidoreductase,"Nuclear receptor",Reader,"Cytochrome P450","Peptide receptor (family A GPCR)","Cysteine protease","Nuclear hormone receptor subfamily 2",Bromodomain,"Nuclear hormone receptor subfamil
y 1","Cytochrome P450 family 3","Glycohormone receptor","Cysteine protease CA clan","Nuclear hormone receptor subfamily 2 group C","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 famil
y 3A","Cysteine protease C1A family","Nuclear hormone receptor subfamily 2 group C member 2","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","G protein-coupled receptors","Eicosanoid turnover","Fatty acid-binding proteins","Nuclear hormone receptors","Cytochrome P450","Glycoprotein hormone recepto
rs",Lipoxygenases,"2C. Testicular receptors","1F. Retinoic acid-related orphans","CYP3 family"}

> <pathway_reactome>
{Disease,"Neuronal System",Metabolism,"Signal Transduction","Gene expression (Transcription)","Infectious disease","Transmission across Chemical Synapses","Metabolism of lipids","Biological oxidations
","Signaling by GPCR","RNA Polymerase II Transcription","Signaling by Nuclear Receptors","Metabolism of vitamins and cofactors","Leishmania infection","Neurotransmitter receptors and postsynaptic sign
al transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","GPCR downstream signalling","Generic Transcription Pathway","Signaling by Retin
oic Acid","Metabolism of fat-soluble vitamins","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DPA-derived SPMs","Ethanol oxidation","
G alpha (i) signalling events","Nuclear Receptor transcription pathway","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","RA biosynthesis pathway","Retinoid metabolism and tran
sport","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","Visual phototransduction","RUNX3 Regulates Immune Resp
onse and Cell Migration","Biosynthesis of maresins","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and r
esolvins","The canonical retinoid cycle in rods (twilight vision)","Biosynthesis of maresin-like SPMs","The retinoid cycle in cones (daylight vision)","Vesicle-mediated transport","Membrane Traffickin
g","trans-Golgi Network Vesicle Budding","Golgi Associated Vesicle Biogenesis"}

> <broad_targets>
{ALDH1A1,ALDH1A2,ALDH1A3,DHRS3,DHRS4,LRAT,NR2C2,RBP1,RBP3,RDH11,RDH12,RDH13,RDH14,RDH5,RDH8,RETSAT,RHO,RLBP1,RXRA,RXRB,RXRG}

> <broad_moa>
{"retinoid receptor ligand"}

> <synonyms>
{Aquasynth,retinol,"Vitamin A",all-trans-Retinol,alltransRetinol,68-26-8,68268,"Vitamin A1",Alphalin,Axerophthol,Afaxin,"Vitamin A alcohol","Oleovitamin A","Chocola A",Alphasterol,Apostavit,Ophthalami
n,Agiolan,Agoncal,Anatola,Myvpack,Prepalin,Testavol,Veroftal,Aoral,Ape,T1183,1501203,Retinol,RETINOL}

> <pdid>
PD001451

> <targets>
{}

> <classes>
{"vitamin A"}

> <pubchem_cids>
{445354}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    3.7345   -0.7245    0.0000 O   0  0
    3.1212   -2.0934    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    1.0142   -3.6129    0.0000 N   0  0
    1.7571   -4.9160    0.0000 C   0  0
    0.7474   -6.0252    0.0000 C   0  0
   -0.6196   -5.4077    0.0000 N   0  0
   -0.4547   -3.9168    0.0000 C   0  0
    4.0008   -3.3094    0.0000 P   0  0
    4.8794   -4.5252    0.0000 O   0  0
    3.3874   -4.6783    0.0000 O   0  0
    5.4930   -3.1567    0.0000 O   0  0
    2.2266   -0.8522    0.0000 P   0  0
    1.6415   -0.0412    0.0000 O   0  0
    1.2317   -0.9532    0.0000 O   0  0
    2.8411    0.5161    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  4  1  0
  2  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  2  0
  2 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12881

> <plate>
PLATE 025

> <well>
A11

> <supplier_cmpd_name>
Zoledronic Acid

> <ctcr_id>
143

> <supplier_cmpd_id>
T6739

> <smiles>
OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O

> <pd_targets>
{FDPS,GGPS1,CA14,MMP2,CA12,CA2,BTS1,LMNA,MMP14,ISPA,BTN3A1,CA9,MMP9,MMP8}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Unclassified protein",Transferase,Lyase,Protease,"Metallo protease","Metallo protease MAM clan","Metallo protease M10A subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Lanosterol biosynthesis pathway","Carbonic anhydrases","Peptidases and proteinases","Butyrophilin and butyrophilin-like proteins","MA: Metallo (M) Peptidases","M10: M
atrix metallopeptidase"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Transport of small molecules","Cell Cycle","Extracellular matrix organization","Immune System","Cellular responses to external stimuli","Metabolism of lipids","Rev
ersible hydration of carbon dioxide","Nervous system development","O2/CO2 exchange in erythrocytes",Mitotic,"Degradation of the extracellular matrix","Adaptive Immune System","Cellular responses to st
ress","Metabolism of steroids","Axon guidance","Erythrocytes take up carbon dioxide and release oxygen","M Phase","Activation of Matrix Metalloproteinases","Butyrophilin (BTN) family interactions","Ce
llular response to hypoxia","Regulation of cholesterol biosynthesis by SREBP (SREBF)","EPH-Ephrin signaling","Mitotic Metaphase and Anaphase","Regulation of gene expression by Hypoxia-inducible Factor
","Activation of gene expression by SREBF (SREBP)","EPH-ephrin mediated repulsion of cells","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{FDPS,GGPS1}

> <broad_moa>
{"bone resorption inhibitor"}

> <synonyms>
{"Zoledronic acid",Zoledronate,118072-93-8,118072938,Zometa,Reclast,Aclasta,"(1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonic acid","(1Hydroxy2(1Himidazol1yl)ethane1,1diyl)diphosphonic acid
","CGP 42446","(1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid","(1Hydroxy2imidazol1ylethylidene)diphosphonic acid",ZOL,CGP-42446,CGP42446,(1-hydroxy-2-(1H-imid,(1hydroxy2(1Himid,T6739,721517,"
NSC 721517","Zoledronic Acid"}

> <pdid>
PD004076

> <targets>
{}

> <classes>
{"Bone resorption inhibitor"}

> <pubchem_cids>
{68740}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.2614   -1.9017    0.0000 C   0  0
   -3.7390   -1.6438    0.0000 O   0  0
   -1.7461   -3.3113    0.0000 O   0  0
   -2.7079   -4.4623    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8991    0.7525    0.0000 C   0  0
   -5.1969    1.5045    0.0000 C   0  0
   -5.1945    3.0045    0.0000 C   0  0
   -3.8943    3.7525    0.0000 C   0  0
   -2.5965    3.0004    0.0000 C   0  0
   -1.6323    4.1506    0.0000 C   0  0
   -0.1551    3.8905    0.0000 O   0  0
   -2.1455    5.5610    0.0000 O   0  0
   -1.1819    6.7106    0.0000 C   0  0
   -6.4916    3.7597    0.0000 O   0  0
   -6.4870    5.2597    0.0000 C   0  0
   -6.3128    0.5033    0.0000 O   0  0
   -5.7049   -0.8679    0.0000 C   0  0
   -4.2128   -0.7135    0.0000 O   0  0
    0.3114    2.9665    0.0000 O   0  0
    1.8032    3.1233    0.0000 C   0  0
    2.4133    1.7530    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
  6 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 16 23  1  0
 23 24  1  0
 15 25  1  0
 25 26  1  0
 26 27  1  0
 27 14  1  0
  5 28  1  0
 28 29  1  0
 29 30  1  0
 30  4  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12882

> <plate>
PLATE 025

> <well>
B2

> <supplier_cmpd_name>
Bifendatatum

> <ctcr_id>
11336

> <supplier_cmpd_id>
T3273

> <smiles>
COc1c2c(c(c(c1)C(=O)OC)c1c3c(c(cc1C(=O)OC)OC)OCO3)OCO2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Bifendate,73536-69-3,73536693,Bifendatatum,"Dimethyl 7,7'-dimethoxy-(4,4'-bibenzo(d)(1,3)dioxole)-5,5'-dicarboxylate","Dimethyl 7,7'dimethoxy(4,4'bibenzo(d)(1,3)dioxole)5,5'dicarboxylate","Bifendate,
(S)",UNII-0G32E321W1,UNII0G32E321W1,MFCD01751431,0G32E321W1,alpha-diphenyldicarboxylate,alphadiphenyldicarboxylate,"biphenyl dimethyl-dicarboxylate","biphenyl dimethyldicarboxylate","diphenyl dimet",T
3273}

> <pdid>
PD056771

> <targets>
{Reverse Transcriptase,HBV}

> <classes>
{Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{108213}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3032    3.7490    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
 10  3  1  0
 10 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12883

> <plate>
PLATE 025

> <well>
B3

> <supplier_cmpd_name>
Vanillin

> <ctcr_id>
3977

> <supplier_cmpd_id>
T6717

> <smiles>
COc1cc(C=O)ccc1O

> <pd_targets>
{TRIM33,ALDH5A1,ALDH1A1,ABAT,HPGD,TRIM24,PNLIP,TRPV3}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Ion channel",Reader,Isomerase,Oxidoreductase,Transferase,Hydrolase,"Voltage-gated ion channel",Bromodomain,"Transient receptor potential channel"}

> <pathway_chembl>
{Enzymes,"Ion channels","Chromatin modifying enzymes","GABA turnover","Eicosanoid turnover",Hydrolases,"Voltage-gated ion channels","Enzymatic bromodomain-containing proteins","Prostaglandin synthases
","Transient Receptor Potential channels","TIF1 family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System",Metabolism,Disease,"Transport of small molecules","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Biological oxidations"
,"Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of vitamins and cofactors","Ion channel transport","Generic Transcription Pathway
","Neurotransmitter release cycle","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by FGFR in disease","Metabolism of fat-soluble vita
mins","Stimuli-sensing channels","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","GABA synthesis",release,"reuptake and degradation","Ethanol oxidation","Biosynthesis of DHA-derived SPMs"
,"Signaling by FGFR1 in disease","Retinoid metabolism and transport","TRP channels","Downregulation of SMAD2/3:SMAD4 transcriptional activity","Degradation of GABA","Biosynthesis of D-series resolvins
","FGFR1 mutant receptor activation","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
{ABAT,ALDH5A1}

> <broad_moa>
{}

> <synonyms>
{vanillin,4-Hydroxy-3-methoxybenzaldehyde,4Hydroxy3methoxybenzaldehyde,121-33-5,121335,Vanillaldehyde,p-Vanillin,pVanillin,"Vanillic aldehyde",Vanilla,Vanilline,"Benzaldehyde, 4-hydroxy-3-methoxy-","B
enzaldehyde, 4hydroxy3methoxy",Lioxin,2-Methoxy-4-formylphenol,2Methoxy4formylphenol,3-Methoxy-4-hydroxybenzaldehyde,3Methoxy4hydroxybenzaldehyde,4-Hydroxy-m-anisaldehyde,4Hydroxymanisaldehyde,4-Hydro
xy,4Hydroxy,T6717,S3071,Vanillin,Vanillin}

> <pdid>
PD010486

> <targets>
{Others,Endogenous Metabolite}

> <classes>
{Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{1183}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  0  0            999 V2000
    5.2000   -1.5000    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  2  8  1  0
  8  9  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12884

> <plate>
PLATE 025

> <well>
B4

> <supplier_cmpd_name>
Vigabatrin

> <ctcr_id>
4245

> <supplier_cmpd_id>
T0128

> <smiles>
NC(CCC(O)=O)C=C

> <pd_targets>
{BLM,ABAT,SLC32A1}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,Transporters,"GABA turnover","SLC superfamily of solute carriers","SLC32 vesicular inhibitory amino acid transporter"}

> <pathway_reactome>
{"DNA Repair","Neuronal System","DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Homology Directed Repair","Neurotransmitter release cycle","HDR through Homologous Recombinati
on (HRR) or Single Strand Annealing (SSA)","GABA synthesis",release,"reuptake and degradation","HDR through Homologous Recombination (HRR)","Degradation of GABA","Homologous DNA Pairing and Strand Exc
hange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ABAT,SLC32A1}

> <broad_moa>
{"GABA aminotransferase inhibitor"}

> <synonyms>
{vigabatrin,"4-aminohex-5-enoic acid","4aminohex5enoic acid",Sabril,60643-86-9,60643869,68506-86-5,68506865,Vigabatrine,"gamma-Vinyl GABA","gammaVinyl GABA","4-Amino-5-hexenoic acid","4Amino5hexenoic 
acid",gamma-Vinyl-GABA,gammaVinylGABA,"5-Hexenoic acid, 4-amino-","5Hexenoic acid, 4amino",Vigabatrinum,"4-Aminohexenoic acid","4Aminohexenoic acid","gamma-Vinyl-gamma-Aminobutyric Acid","gammaVinylga
mmaAminobutyric Acid",MD,T0128,Prestw-501,Vigabatrin}

> <pdid>
PD002625

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{25202592,5665}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 65 73  0  0  1  0            999 V2000
    7.8233   -7.1270    0.0000 C   0  0
    6.8980   -6.7478    0.0000 O   0  0
    9.0102   -6.2084    0.0000 N   0  0
    8.8091   -4.7211    0.0000 C   0  0  1  0  0  0
    7.4191   -4.1548    0.0000 C   0  0
    7.2151   -2.6687    0.0000 O   0  0
    6.2352   -5.0730    0.0000 N   0  0
    4.8092   -4.6676    0.0000 C   0  0  1  0  0  0
    3.9463   -5.8801    0.0000 C   0  0
    4.8578   -7.0713    0.0000 C   0  0  1  0  0  0
    6.2725   -6.5725    0.0000 C   0  0
    4.4274   -8.5064    0.0000 C   0  0
    2.9671   -8.8527    0.0000 O   0  0
    2.5361  -10.2895    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8972    3.7500    0.0000 C   0  0
   -3.8972    5.2500    0.0000 C   0  0
   -5.1962    6.0000    0.0000 C   0  0
   -6.4952    5.2500    0.0000 C   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -7.9210    3.2864    0.0000 N   0  0
   -8.8027    4.4999    0.0000 C   0  0
   -7.9210    5.7135    0.0000 N   0  0
  -10.3034    4.4999    0.0000 C   0  0  1  0  0  0
  -11.2519    3.3606    0.0000 N   0  0
  -12.6379    3.9342    0.0000 C   0  0  2  0  0  0
  -12.5206    5.4297    0.0000 C   0  0
  -11.0621    5.7802    0.0000 C   0  0
  -13.4904    3.4115    0.0000 C   0  0
  -10.8924    1.9061    0.0000 C   0  0
   -9.4511    1.4904    0.0000 O   0  0
  -11.9733    0.8650    0.0000 C   0  0  1  0  0  0
  -11.6131   -0.5920    0.0000 N   0  0
  -12.6940   -1.6331    0.0000 C   0  0
  -14.1352   -1.2173    0.0000 O   0  0
  -12.3338   -3.0901    0.0000 O   0  0
  -13.4141   -4.1306    0.0000 C   0  0
  -13.4162    1.2780    0.0000 C   0  0
  -14.4954    0.2363    0.0000 C   0  0
  -13.6582    2.2483    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    9.9949   -3.8011    0.0000 C   0  0
    9.7956   -2.3145    0.0000 C   0  0
   10.9834   -1.3984    0.0000 C   0  0
   12.3706   -1.9690    0.0000 C   0  0
   12.5700   -3.4557    0.0000 C   0  0
   11.3822   -4.3718    0.0000 C   0  0
    8.0244   -8.6142    0.0000 O   0  0
    6.8382   -9.5323    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
 10 12  1  1
 12 13  1  0
 13 14  1  0
  8 15  1  1
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 15  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 29  1  0
 34 32  1  1
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 34  1  0
 36 39  1  1
 35 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  1
 43 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 42 48  1  0
 48 49  1  0
 48 50  1  0
 30 51  2  0
 51 26  1  0
 51 52  1  0
 52 53  2  0
 53 24  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 23  1  0
 56 57  2  0
 57 20  1  0
  4 58  1  0
 58 59  2  0
 59 60  1  0
 60 61  2  0
 61 62  1  0
 62 63  2  0
 63 58  1  0
  1 64  1  0
 64 65  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12885

> <plate>
PLATE 025

> <well>
B5

> <supplier_cmpd_name>
Velpatasvir

> <ctcr_id>
11337

> <supplier_cmpd_id>
T3334

> <smiles>
C(=O)(N[C@@H](C(=O)N1[C@@H](C[C@@H](C1)COC)c1ncc([nH]1)c1ccc2c3cc4ccc5c([nH]c(n5)[C@H]5N([C@H](CC5)C)C(=O)[C@@H](NC(=O)OC)C(C)C)c4cc3OCc2c1)c1ccccc1)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Velpatasvir,1377049-84-7,1377049847,GS-5816,GS5816,UNII-KCU0C7RS7Z,UNIIKCU0C7RS7Z,KCU0C7RS7Z,"GS 5816","Velpatasvir (USAN:INN)",Verpatasvir,Velpatasvir(GS5816),"Velpatasvir; GS-5816","Velpatasvir; GS
5816","Velpatasvir (JAN/USAN/INN)",SCHEMBL8756902,CHEMBL3545062,SCHEMBL19236068,GTPL11269,AM,T3334}

> <pdid>

> <targets>
{"HCV NS5A"}

> <classes>
{Microbiology&Virology,Proteases/Proteasome}

> <pubchem_cids>
{67683363}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1953    1.5031    0.0000 N   0  0
   -5.1932    3.0039    0.0000 C   0  0
   -6.4914    3.7570    0.0000 C   0  0
   -6.4893    5.2570    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 N   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -2.9095   -2.9665    0.0000 C   0  0
   -1.9057   -4.0811    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  0
  7 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 12  1  0
 17 18  1  0
 18  5  1  0
 18 19  2  0
 19  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12886

> <plate>
PLATE 025

> <well>
B6

> <supplier_cmpd_name>
BMS-345541

> <ctcr_id>
2441

> <supplier_cmpd_id>
T6326

> <smiles>
Cc1ccc2NC(=NCCN)c3ncc(C)n3c2c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{445430-58-0,445430580,BMS-345541,BMS345541,"BMS-345541 free base","BMS345541 free base","N1-(1,8-dimethylimidazo(1,2-a)quinoxalin-4-yl)ethane-1,2-diamine","N1(1,8dimethylimidazo(1,2a)quinoxalin4yl)et
hane1,2diamine",UNII-26SU0NEF5F,UNII26SU0NEF5F,"BMS-345541(free base)","BMS345541(free base)","BMS-345541 (free base)","BMS345541 (free base)","IKK Inhibitor III, BMS-345541","IKK Inhibitor III, BMS34
5541",26SU0NEF5F,1,2-Ethanediamine,2Ethanediamine,S8044}

> <pdid>

> <targets>
{I??B/IKK,I?B/IKK}

> <classes>
{NF-?B}

> <pubchem_cids>
{9813758}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 40 44  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 C   0  0
   -6.5050    5.2446    0.0000 C   0  0
   -7.8065    5.9905    0.0000 C   0  0
   -9.1031    5.2364    0.0000 C   0  0
   -9.0983    3.7364    0.0000 C   0  0
   -7.7969    2.9905    0.0000 C   0  0
  -10.4068    5.9800    0.0000 N   0  0
  -11.7031    5.2236    0.0000 C   0  0
  -13.0071    5.9649    0.0000 N   0  0
  -14.3012    5.2063    0.0000 C   0  0
  -14.2912    3.7063    0.0000 C   0  0
  -12.9872    2.9650    0.0000 C   0  0
  -11.6932    3.7236    0.0000 N   0  0
  -12.9742    1.4642    0.0000 N   0  0
  -11.6684    0.7243    0.0000 C   0  0
  -10.3769    1.4873    0.0000 C   0  0
   -9.0704    0.7505    0.0000 C   0  0
   -9.0552   -0.7495    0.0000 C   0  0
  -10.3466   -1.5125    0.0000 C   0  0
  -11.6532   -0.7757    0.0000 C   0  0
  -12.9453   -1.5392    0.0000 P   0  0
  -12.9310   -3.0391    0.0000 O   0  0
  -14.2516   -0.8020    0.0000 C   0  0
  -14.2370   -2.3017    0.0000 C   0  0
  -15.5852    2.9477    0.0000 Cl  0  0
   -7.8081    7.4913    0.0000 O   0  0
   -6.5104    8.2436    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 34 37  1  0
 24 38  1  0
 16 39  1  0
 39 40  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12887

> <plate>
PLATE 025

> <well>
B7

> <supplier_cmpd_name>
Brigatinib

> <ctcr_id>
11338

> <supplier_cmpd_id>
T3621

> <smiles>
CN1CCN(CC1)C1CCN(CC1)c1cc(c(cc1)Nc1ncc(c(n1)Nc1ccccc1P(=O)(C)C)Cl)OC

> <pd_targets>
{EGFR,ROS1,INSR,FLT3,IGF1R,ALK,ABL1,MET,ERBB4,ERBB2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Sev family","Tyrosine protein kinase InsR family","T
yrosine protein kinase PDGFR family","TKL protein kinase STKR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Met family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) recept
or family","Type XVII RTKs: ROS receptors","Type II RTKs: Insulin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor famil
y","Abl family","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Neuronal System","Signaling by GPCR","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Infectious disease
","Nervous system development","Transmission across Chemical Synapses","GPCR downstream signalling","PIP3 activates AKT signaling","Signaling by Insulin receptor","Signaling by Type 1 Insulin-like Gro
wth Factor 1 Receptor (IGF1R)","Leishmania infection","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","G alpha (q) signalling events","Negative regulation of the PI3K
/AKT network","Insulin receptor signalling cascade","IGF1R signaling cascade","Parasite infection","Semaphorin interactions","Activation of NMDA receptors and postsynaptic events","Gastrin-CREB signal
ling pathway via PKC and MAPK",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","IRS-mediated signalling","IRS-related events triggered by IGF1R","Leishmania phagocytosis","Sema4D in semaphorin signal
ing","Post NMDA receptor activation events","EGFR Transactivation by Gastrin","PI3K Cascade","FCGR3A-mediated phagocytosis","Sema4D mediated inhibition of cell attachment and migration","Long-term pot
entiation","Sema4D induced cell migration and growth-cone collapse"}

> <broad_targets>
{ALK,EGFR}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor","EGFR inhibitor"}

> <synonyms>
{"Brigatinib (USAN:INN)","Brigatinib; AP26113",CHEMBL3545311,SCHEMBL11916361,EX-A775,EXA775,AMY10294,BCP17214,BDBM50185140,MFCD29472221,NSC784728,NSC787457,AKOS030257612,ZINC148723177,CS-4278,CS4278,D
B12267,NSC-784728,NSC-787457,SB40412,NCGC00483924-01,NCGC0048392401,AC-299,AC299,T3621,Brigatinib}

> <pdid>
PD012803

> <targets>
{ALK,ROS1,IGF-1R,FLT3,"EGFR (C797S/del19)"}

> <classes>
{Angiogenesis,Immunology/Inflammation,Tyrosine Kinase/Adaptors,JAK/STAT signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{68165256}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    4.8086   -5.7146    0.0000 C   0  0
    4.0559   -4.4171    0.0000 N   0  0
    4.8036   -3.1167    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8073   -5.7196    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 N   0  0
   -7.7890   -1.5185    0.0000 N   0  0
   -9.0920   -0.7751    0.0000 C   0  0
  -10.3872   -1.5316    0.0000 C   0  0
  -10.3796   -3.0316    0.0000 N   0  0
   -9.0768   -3.7750    0.0000 C   0  0
   -7.7816   -3.0185    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1742   -4.0242    0.0000 C   0  0
   -2.6753   -5.4380    0.0000 C   0  0
   -1.4855   -6.3515    0.0000 C   0  0
   -0.2491   -5.5022    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 11 25  1  0
 25 26  2  0
 26  8  1  0
 26 27  1  0
 27  6  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 28  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12888

> <plate>
PLATE 025

> <well>
B8

> <supplier_cmpd_name>
Ribociclib

> <ctcr_id>
7904

> <supplier_cmpd_id>
T6199

> <smiles>
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N4CCNCC4)nc2n1C5CCCC5

> <pd_targets>
{CCNA2,CDK2,CDK4,CDK6,CCNT1,CDK9,CCND3,CCND1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase CDK family","CMGC protein kinase CDC2 subfamily","CMGC protein kinase CDK9 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Cyclin-dependent kinase (CDK) family","CDK4 subfamily","CDK1 subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","G1 Phase","Transcriptional Regulation 
by TP53","Cyclin D associated events in G1","Regulation of TP53 Activity","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{CDK4,CDK6}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{Ribociclib,1211441-98-3,1211441983,LEE011,LEE-011,"Ribociclib (LEE011)",Kisqali,"LEE 011",UNII-TK8ERE8P56,UNIITK8ERE8P56,TK8ERE8P56,LEE011A,"Ribociclib Free Base","1211441-98-3 (free base)","12114419
83 (free base)",1328934-40-2,1328934402,Ribociclib(LEE011),"Ribociclib (USAN:INN)",Ribociclib-(d6),Ribociclib(d6),Tube013,T6199,778909,S7440}

> <pdid>
PD010313

> <targets>
{CDK}

> <classes>
{Cell Cycle/DNA Damage}

> <pubchem_cids>
{44631912}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 39  0  0  1  0            999 V2000
    9.8089    4.5189    0.0000 C   0  0
    8.4855    3.8128    0.0000 C   0  0
    7.1614    3.1063    0.0000 C   0  0
    5.8372    2.3998    0.0000 C   0  0
    5.7875    0.9007    0.0000 O   0  0
    4.5650    3.1911    0.0000 N   0  0
    4.4475    4.6865    0.0000 C   0  0
    2.9890    5.0368    0.0000 C   0  0
    2.2051    3.7579    0.0000 C   0  0
    3.1884    2.6409    0.0000 C   0  0  1  0  0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 N   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    3.1884   -2.6409    0.0000 C   0  0
    4.6235   -3.0601    0.0000 C   0  0
    4.9782   -4.5176    0.0000 C   0  0
    3.8933   -5.5535    0.0000 C   0  0
    2.4538   -5.1320    0.0000 C   0  0
    2.0991   -3.6745    0.0000 C   0  0
    4.2452   -7.0125    0.0000 C   0  0
    5.6840   -7.4366    0.0000 O   0  0
    3.1583   -8.0475    0.0000 N   0  0
    3.5102   -9.5064    0.0000 C   0  0
    2.4254  -10.5424    0.0000 C   0  0
    2.7801  -11.9999    0.0000 C   0  0
    4.2196  -12.4215    0.0000 C   0  0
    5.3045  -11.3856    0.0000 C   0  0
    4.9498   -9.9281    0.0000 N   0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
 10 11  1  6
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 13 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12889

> <plate>
PLATE 025

> <well>
B9

> <supplier_cmpd_name>
Acalabrutinib

> <ctcr_id>
11339

> <supplier_cmpd_id>
T3626

> <smiles>
CC#CC(=O)N1CCC[C@H]1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1

> <pd_targets>
{FYN,TEC,JAK3,LYN,ERBB2,BMX,BTK,ITK,TXK,ERBB4,EGFR,SRC,LCK,BLK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Src family","Tyrosine protein kinase Tec family","Tyrosine protein kinase JakA family","Tyrosine protein kinase EGFR 
family","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Src family","Tec family","Janus kinase (JakA) fami
ly","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{Disease,"Immune System","Developmental Biology",Metabolism,"Neuronal System","Signal Transduction","Gene expression (Transcription)","Infectious disease","Cytokine Signaling in Immune system","Nervou
s system development","Metabolism of lipids","Adaptive Immune System","Innate Immune System","Transmission across Chemical Synapses","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","RNA P
olymerase II Transcription","HIV Infection","Signaling by Interleukins","Leishmania infection","Axon guidance","Phospholipid metabolism","TCR signaling","Fc epsilon receptor (FCERI) signaling","Neurot
ransmitter receptors and postsynaptic signal transmission","GPCR downstream signalling","Signaling by NTRKs","Generic Transcription Pathway","Host Interactions of HIV factors",Interleukin-3,"Interleuk
in-5 and GM-CSF signaling","Interleukin-2 family signaling","Leishmania parasite growth and survival","Semaphorin interactions","PI Metabolism","Parasite infection","Generation of second messenger mol
ecules","FCERI mediated Ca+2 mobilization","Activation of NMDA receptors and postsynaptic events","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","Transcriptional regulation by RUNX1","The
 role of Nef in HIV-1 replication and disease pathogenesis","Interleukin-15 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Sema4D in semaphorin signaling","Synthesis 
of PIPs at the plasma membrane","Leishmania phagocytosis","Post NMDA receptor activation events","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","RUNX1 regulates transcription 
of genes involved in BCR signaling","Nef and signal transduction","FCGR3A-mediated IL10 synthesis","Sema4D induced cell migration and growth-cone collapse","FCGR3A-mediated phagocytosis","Long-term po
tentiation","EGFR Transactivation by Gastrin","Signalling to RAS","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","p38MAPK events","Nef Mediated CD4 Do
wn-regulation"}

> <broad_targets>
{BTK}

> <broad_moa>
{"Bruton's tyrosine kinase (BTK) inhibitor"}

> <synonyms>
{Acalabrutinib,1420477-60-6,1420477606,ACP-196,ACP196,Calquence,"Acalabrutinib (ACP-196)","Acalabrutinib (ACP196)",UNII-I42748ELQW,UNIII42748ELQW,I42748ELQW,Acalabrutinib(ACP196),"Acalabrutinib (INN)"
,"Acalabrutinib (USAN:INN)",acalabrutinibum,"Calquence (TN)",ACP-196;Acalabrutinib,ACP196;Acalabrutinib,GTPL8912,Acalabr,T3626}

> <pdid>
PD049821

> <targets>
{BTK}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{71226662}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 19  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.6837   -4.3363    0.0000 C   0  0
   -4.1755   -4.1795    0.0000 C   0  0
   -4.7856   -2.8092    0.0000 C   0  0
   -6.2774   -2.6524    0.0000 Cl  0  0
   -3.9040   -1.5957    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17  8  1  0
 17 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12890

> <plate>
PLATE 025

> <well>
B10

> <supplier_cmpd_name>
Selisistat

> <ctcr_id>
5955

> <supplier_cmpd_id>
T6111

> <smiles>
NC(=O)C1CCCc2c1[nH]c3ccc(Cl)cc23

> <pd_targets>
{SIRT1,SIRT2,SIRT3,HST2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class III",Enzyme}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","Regulation of FOXO transcriptional activity by acetylation","Cell Cy
cle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Nuclear Envelope (NE) Reassembly","Initiati
on of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT inhibitor"}

> <synonyms>
{49843-98-3,49843983,Selisistat,"6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide","6chloro2,3,4,9tetrahydro1Hcarbazole1carboxamide",EX-527,EX527,"EX 527",SEN0014196,"SIRT1 Inhibitor III","EX 52
7 (Selisistat)","EX-527 (S-enantiomer)","EX527 (Senantiomer)",CHEMBL420311,CHEBI:90369,"Selisistat S-enantiomer","Selisistat Senantiomer",1H-Carbazole-1-ca,1HCarbazole1ca,T6111,S1541,"EX 527 (Selisist
at)"}

> <pdid>
PD003330

> <targets>
{Sirtuin}

> <classes>
{Epigenetics,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5113032}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    5.1981    0.0008    0.0000 C   0  0
    3.8990   -0.7492    0.0000 O   0  0
    2.5988    0.0004    0.0000 C   0  0
    2.5983    1.5004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2636    2.2496    0.0000 C   0  0
   -2.5801   -0.0303    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 C   0  0
    1.2991   -5.2500    0.0000 C   0  0
    2.5981   -4.5000    0.0000 C   0  0
    2.5981   -6.0000    0.0000 C   0  0
    2.5981   -7.5000    0.0000 C   0  0
    1.2991   -8.2500    0.0000 C   0  0
    1.2991   -9.7500    0.0000 C   0  0
    2.5800   -8.9695    0.0000 C   0  0
    1.2639  -11.2496    0.0000 C   0  0
    0.0000  -10.5000    0.0000 C   0  0
    0.0000  -12.0000    0.0000 O   0  0
   -1.2990   -9.7500    0.0000 C   0  0
   -1.2990   -8.2500    0.0000 C   0  0
    0.0000   -7.5000    0.0000 C   0  0
   -1.2990   -6.7500    0.0000 C   0  0
   -2.5988  -10.5004    0.0000 C   0  0
   -3.8978  -11.2504    0.0000 N   0  0
    1.2990   -3.7500    0.0000 C   0  0
    1.2990   -2.2500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12  5  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  3
 29 30  1  0
 30 17  1  0
 30 22  1  0
 30 31  1  0
 28 32  1  0
 32 33  3  0
 18 34  1  0
 34 13  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12891

> <plate>
PLATE 025

> <well>
B11

> <supplier_cmpd_name>
Bardoxolone Methyl

> <ctcr_id>
110

> <supplier_cmpd_id>
T6165

> <smiles>
COC(=O)C12CCC(C)(C)CC1C3C(=O)C=C4C(C)(CCC5C(C)(C)C(=O)C(=CC45C)C#N)C3(C)CC2

> <pd_targets>
{USP7,PPARG,USP2,NFE2L2,MBOAT4,STAT3,KEAP1,IKBKB}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein",Protease,"Nuclear receptor",Transferase,Kinase,"Cysteine protease","Nuclear hormone receptor subfamily 1","Protein Kinase","Cysteine protease CA c
lan","Nuclear hormone receptor subfamily 1 group C","Other protein kinase group","Cysteine protease C19 family","Nuclear hormone receptor subfamily 1 group C member 3","Other protein kinase IKK family
"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Peptidases and proteinases","Transcription factors","Catalytic receptors","1C. Peroxisome proliferator-activated receptors","CA:
 Cysteine (C) Peptidases","Basic leucine zipper domain TFs","STAT transcription factors","Receptor kinases","C19: Ubiquitin-specific protease","Other protein kinases","IKK family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins",Disease,"Immune System","RNA Polymerase II Transcription","Peptide hormone metabolism","Diseases of signal transduction by growth factor rec
eptors and second messengers","Innate Immune System","Generic Transcription Pathway",Synthesis,secretion,"and deacylation of Ghrelin","Signaling by FGFR in disease","Toll-like Receptor Cascades","Tran
scriptional Regulation by TP53","Transcriptional Regulation by MECP2","Signaling by FGFR1 in disease","Toll Like Receptor 4 (TLR4) Cascade","Regulation of TP53 Activity","MECP2 regulates transcription
 factors","FGFR1 mutant receptor activation","MyD88-independent TLR4 cascade","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","TRIF(TICAM1)-mediated TLR4 
signaling","Regulation of TP53 Degradation","IKK complex recruitment mediated by RIP1"}

> <broad_targets>
{PPARG,STAT3}

> <broad_moa>
{"nuclear factor erythroid derived","like (NRF2) activator"}

> <synonyms>
{"Bardoxolone methyl",218600-53-4,218600534,CHEMBL1984993,SB23234,LS-15334,LS15334,SY039275,DB-066645,DB066645,FT-0664417,FT0664417,SW220004-1,SW2200041,"2-Cyano-3,12-dioxo-oleana-1,9(11)-dien-28-oic 
acid methyl ester","2Cyano3,12dioxooleana1,9(11)dien28oic acid methyl ester",T6165,S8078,"Bardoxolone Methyl"}

> <pdid>
PD003406

> <targets>
{I?B/IKK}

> <classes>
{NF-?B}

> <pubchem_cids>
{53315588}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 45 50  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    2.6003    1.4978    0.0000 C   0  0
    3.8983    0.7459    0.0000 C   0  0
    2.6029    2.9978    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.3022    5.2508    0.0000 N   0  0
   -2.6030    5.9994    0.0000 C   0  0
   -3.8995    5.2449    0.0000 C   0  0
   -5.2011    5.9904    0.0000 C   0  0
   -5.2063    7.4904    0.0000 C   0  0
   -3.9099    8.2449    0.0000 C   0  0
   -2.6083    7.4994    0.0000 C   0  0
   -1.3127    8.2570    0.0000 O   0  0
   -1.3201    9.7570    0.0000 C   0  0
   -6.5071    8.2390    0.0000 C   0  0
   -7.8049    7.4868    0.0000 O   0  0
   -6.5102    9.7398    0.0000 N   0  0
   -7.8110   10.4884    0.0000 C   0  0
   -7.8163   11.9884    0.0000 C   0  0
   -9.1179   12.7339    0.0000 C   0  0
  -10.4143   11.9795    0.0000 C   0  0
  -10.4092   10.4795    0.0000 C   0  0
   -9.1076    9.7340    0.0000 C   0  0
  -11.7166   12.7254    0.0000 N   0  0
  -11.7242   14.2254    0.0000 C   0  0
  -13.0270   14.9689    0.0000 C   0  0
  -14.3223   14.2124    0.0000 N   0  0
  -14.3147   12.7124    0.0000 C   0  0
  -13.0119   11.9689    0.0000 C   0  0
  -15.6273   14.9536    0.0000 C   0  0
  -16.9222   14.1948    0.0000 C   0  0
  -18.3434   14.2283    0.0000 C   0  0
  -17.5823   12.9357    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  4  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 15 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
 32 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 36  1  0
 10 39  2  0
 39 40  1  0
 40 41  2  0
 41  8  1  0
 41 42  1  0
 42 43  1  0
 42 44  1  0
 44  3  1  0
 44 45  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12892

> <plate>
PLATE 025

> <well>
C2

> <supplier_cmpd_name>
Volasertib

> <ctcr_id>
1622

> <supplier_cmpd_id>
T6019

> <smiles>
CCC1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)ncc2N(C)C1=O

> <pd_targets>
{PLK1,BRD4}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Kinase,Reader,"Protein Kinase",Bromodomain,"Other protein kinase group","Other protein kinase PLK family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Chromatin modifying enzymes","Receptor kinases","Enzymatic bromodomain-containing proteins","Other protein kinases","Bromodomain kinase (BRDK) family","Polo-l
ike kinase (PLK) family"}

> <pathway_reactome>
{"Cell Cycle",Disease,Mitotic,"Infectious disease","Mitotic G2-G2/M phases","SARS-CoV Infections","G2/M Transition","Potential therapeutics for SARS","Centrosome maturation","Loss of proteins required
 for interphase microtubule organization from the centrosome","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{PLK1}

> <broad_moa>
{"PLK inhibitor"}

> <synonyms>
{"BI 6727; Volasertib",Bi6727(volasertib),CHEMBL2134625,SCHEMBL14136759,SCHEMBL18636896,SCHEMBL18636919,SCHEMBL18637304,HMS3655J14,HMS3673G19,HMS3745K21,VA12006,NCGC00387812-03,NCGC0038781203,FT-07705
19,FT0770519,T6019,S2235,Volasertib,"BI6727 (Volasertib)","Volasertib (BI 6727)"}

> <pdid>
PD010810

> <targets>
{PLK}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{71080313}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
   -1.4188  -10.5751    0.0000 C   0  0
   -1.8661   -9.1434    0.0000 C   0  0
   -3.3298   -8.8154    0.0000 C   0  0
   -0.8500   -8.0388    0.0000 C   0  0
   -1.2977   -6.6063    0.0000 C   0  0
   -0.2816   -5.5018    0.0000 C   0  0
   -0.7292   -4.0692    0.0000 C   0  0
   -2.1929   -3.7413    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    7.7905    3.0072    0.0000 O   0  0
    6.4914    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    3.8933    5.2570    0.0000 C   0  0
    2.5943    6.0070    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  2  0
 13 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27  9  1  0
 27 12  1  0
 27 28  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12893

> <plate>
PLATE 025

> <well>
C3

> <supplier_cmpd_name>
Vitamin D3

> <ctcr_id>
7879

> <supplier_cmpd_id>
T1135

> <smiles>
CC(C)CCCC(C)C1CCC2\C(=C\C=C\3/CC(O)CCC3=C)\CCC[C@]12C

> <pd_targets>
{MAPT,ALDH1A1,FTL,HSPD1,HSPE1,HPGD,CYP3A4,GROES,GROL,RORC,ALOX15,HSD17B10,GLRA1,VDR,CDC25A}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Unclassified protein","Transcription factor","Ion channel",Oxidoreductase,"Cytochrome P450","Nuclear receptor",Protease,"Ligand-gated ion channel","Cytochrome P450 f
amily 3","Nuclear hormone receptor subfamily 1","Cysteine protease","Glycine receptor","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","Nuclear h
ormone receptor subfamily 1 group I","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group I member 1
",Phosphatase,"Protein Phosphatase","Serine/threonine/tyrosine protein phosphatase"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Eicosanoid turnover","Cytochrome P450","Nuclear hormone receptors","Ligand-gated ion channels","Prostaglandin synthases","CYP3 family","1F. Retinoic acid-related orp
hans",Lipoxygenases,"Glycine receptors","1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Vesicle-mediated transport","Gene expression (Transcription)","Metabolism of proteins","Transmission across Chemical Synapses","Biological oxidations","Membrane Traffick
ing","Metabolism of lipids","RNA Polymerase II Transcription","Metabolism of amino acids and derivatives","Post-translational protein modification","Neurotransmitter receptors and postsynaptic signal 
transmission","Phase I - Functionalization of compounds","trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","Branched-cha
in amino acid catabolism",SUMOylation,"Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Golgi Associated Vesicle Biogenesis","Biosynthesis of DHA-derived SPMs","Transcription
al regulation by RUNX3","Biosynthesis of DPA-derived SPMs","SUMO E3 ligases SUMOylate target proteins","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Biosynthesis of mare
sins","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","SUMOylation of intracellular receptors","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-lik
e SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Cell Cycle","Cell Cycle Checkpoints","G1/S DNA Damage Checkpoints","p53-Independent G1/S DNA damage checkpoint","p53-Independent DNA 
Damage Response","Ubiquitin Mediated Degradation of Phosphorylated Cdc25A"}

> <broad_targets>
{VDR}

> <broad_moa>
{}

> <synonyms>
{RDK3279381000101,BRD-K32793810-001-01-5,BRDK32793810001015,S4063,"Vitamin D3"}

> <pdid>
PD001560

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{129009980}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  1  0            999 V2000
    1.4851   -1.5024    0.0000 C   0  0
    2.1092   -0.1384    0.0000 O   0  0
    3.6065    0.0000    0.0000 C   0  0  2  0  0  0
    2.7248   -1.2135    0.0000 C   0  0  1  0  0  0
    3.1905   -2.6376    0.0000 C   0  0
    4.6589   -2.9478    0.0000 O   0  0
    5.1253   -4.3743    0.0000 C   0  0
    4.1234   -5.4906    0.0000 N   0  0
    6.5929   -4.6843    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6281    2.3993    0.0000 C   0  0
    5.0501    1.9218    0.0000 C   0  0
    6.3350    1.1594    0.0000 N   0  0
    5.0354    0.4219    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  4 10  1  0
 10 11  2  3
 11 12  1  0
 12  3  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 16 15  1  1
 16  3  1  0
 16 14  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 22 10  1  0
 22 23  2  0
 19 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12894

> <plate>
PLATE 025

> <well>
C4

> <supplier_cmpd_name>
Mitomycin C

> <ctcr_id>
1138

> <supplier_cmpd_id>
T6890

> <smiles>
CO[C@]12[C@@H](COC(N)=O)C3=C(N1CC4N[C@@H]24)C(=O)C(=C(N)C3=O)C

> <pd_targets>
{IDO1}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"1.13.11.- Dioxygenases"}

> <pathway_reactome>
{Metabolism,"Metabolism of amino acids and derivatives","Tryptophan catabolism"}

> <broad_targets>
{}

> <broad_moa>
{"DNA alkylating agent","DNA synthesis inhibitor"}

> <synonyms>
{LSM-1590,LSM1590,SR-05000001845,SR05000001845,Spectrum2_000920,Spectrum2000920,Spectrum2-000920,"Spectrum2 000920",Spectrum3_001792,Spectrum3001792,Spectrum3-001792,"Spectrum3 001792",Spectrum4_00092
9,Spectrum4000929,Spectrum4-000929,"Spectrum4 000929",Spectrum5_001888,Spectrum5001888,Spectrum5-001888,"Spectrum5 001888",BSPBio_003343,BSPBio003343,BSPBio-003343,"BSPBio 003343",KBioGR_001458,KBioGR
001458,KBioGR-001458,"KBioGR 001458",SPECTRUM330002,DivK1c_001034,DivK1c001034,DivK1c-001034,"DivK1c 001034",SPBio_000800,SPBio000800,SPBio-000800,"SPBio 000800",CHEBI:91730,HMS503O09,KBio1_001034,KBi
o1001034,KBio1-001034,"KBio1 001034",KBio3_002845,KBio3002845,KBio3-002845,"KBio3 002845",NINDS_001034,NINDS001034,NINDS-001034,"NINDS 001034",HMS1923I11,HMS2091C19,330002,"MITOMYCIN C"}

> <pdid>
PD001946

> <targets>
{}

> <classes>
{antineoplastic}

> <pubchem_cids>
{5702003}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 82 88  0  0  1  0            999 V2000
   -9.8500   -0.3900    0.0000 C   0  0
   -8.0200   -0.1500    0.0000 N   0  0
   -8.2600    1.6200    0.0000 C   0  0  1  0  0  0
   -9.6900    1.9700    0.0000 C   0  0  2  0  0  0
  -10.5000    0.9400    0.0000 C   0  0  1  0  0  0
  -11.9916    1.0986    0.0000 C   0  0
  -10.1792    3.3880    0.0000 O   0  0
   -7.0800    2.6900    0.0000 C   0  0
   -7.4213    4.1507    0.0000 O   0  0
   -5.5000    2.2400    0.0000 N   0  0
   -4.6900    3.6100    0.0000 C   0  0  1  0  0  0
   -3.0500    3.7400    0.0000 C   0  0  1  0  0  0
   -1.9800    2.4800    0.0000 C   0  0
   -0.5400    3.2500    0.0000 C   0  0  1  0  0  0
    0.4500    2.2900    0.0000 C   0  0
   -0.0753    0.8850    0.0000 O   0  0
    2.4700    2.4000    0.0000 N   0  0
    3.3800    0.4600    0.0000 C   0  0  1  0  0  0
    4.8070    0.0191    0.0000 C   0  0  2  0  0  0
    5.9104    1.0352    0.0000 O   0  0
    5.1358   -1.4444    0.0000 C   0  0
    2.2700   -0.4300    0.0000 C   0  0
    0.9651    0.3098    0.0000 O   0  0
    2.0200   -2.2500    0.0000 N   0  0
    3.4400   -2.7700    0.0000 C   0  0
    3.3200   -4.4300    0.0000 C   0  0  1  0  0  0
    1.6300   -4.4300    0.0000 C   0  0
    0.6300   -3.1600    0.0000 C   0  0  1  0  0  0
   -0.1300   -4.3000    0.0000 C   0  0
    0.7323   -5.5274    0.0000 O   0  0
   -1.7500   -4.7000    0.0000 N   0  0
   -3.2700   -4.4300    0.0000 C   0  0  1  0  0  0
   -4.1022   -5.6859    0.0000 C   0  0  1  0  0  0
   -3.4358   -7.0307    0.0000 C   0  0  2  0  0  0
   -4.2664   -8.2807    0.0000 C   0  0
   -3.6023   -9.6257    0.0000 C   0  0
   -4.4350  -10.8734    0.0000 C   0  0
   -5.9319  -10.7760    0.0000 C   0  0
   -6.5960   -9.4311    0.0000 C   0  0
   -5.7633   -8.1834    0.0000 C   0  0
   -6.7646  -12.0237    0.0000 O   0  0
   -1.9388   -7.1254    0.0000 O   0  0
   -5.5992   -5.5912    0.0000 O   0  0
   -4.1200   -3.5100    0.0000 C   0  0
   -3.1603   -2.3572    0.0000 O   0  0
   -5.7500   -2.4800    0.0000 N   0  0
   -7.3800   -2.8600    0.0000 C   0  0  2  0  0  0
   -8.4900   -1.6700    0.0000 C   0  0
   -9.9521   -2.0052    0.0000 O   0  0
   -7.8295   -4.2904    0.0000 C   0  0  1  0  0  0
   -9.2938   -4.6157    0.0000 C   0  0
   -6.8160   -5.3961    0.0000 O   0  0
    4.3417   -5.5282    0.0000 O   0  0
   -0.2838    4.7260    0.0000 N   0  0
   -1.4345    5.6895    0.0000 C   0  0
   -2.3737    5.3461    0.0000 O   0  0
   -1.1765    7.1679    0.0000 C   0  0
   -2.3252    8.1326    0.0000 C   0  0
   -2.0643    9.6097    0.0000 C   0  0
   -0.6546   10.1223    0.0000 C   0  0
    0.4942    9.1577    0.0000 C   0  0
    0.2333    7.6806    0.0000 C   0  0
   -0.3935   11.6001    0.0000 C   0  0
   -1.5407   12.5666    0.0000 C   0  0
   -1.2775   14.0433    0.0000 C   0  0
    0.1330   14.5537    0.0000 C   0  0
    1.2803   13.5873    0.0000 C   0  0
    1.0170   12.1106    0.0000 C   0  0
    0.3965   16.0311    0.0000 C   0  0
   -0.7492   16.9994    0.0000 C   0  0
   -0.4836   18.4757    0.0000 C   0  0
    0.9277   18.9839    0.0000 C   0  0
    2.0734   18.0157    0.0000 C   0  0
    1.8078   16.5394    0.0000 C   0  0
    1.1965   20.4604    0.0000 O   0  0
    2.6093   20.9668    0.0000 C   0  0
    2.8781   22.4434    0.0000 C   0  0
    4.2909   22.9497    0.0000 C   0  0
    4.5597   24.4263    0.0000 C   0  0
    5.9718   24.9324    0.0000 C   0  0
   -2.6663    4.6634    0.0000 O   0  0
   -5.4842    4.8825    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  1  1  0
  5  6  1  6
  4  7  1  6
  3  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 18 17  1  1
 18 19  1  0
 19 20  1  6
 19 21  1  0
 18 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 28 27  1  6
 28 24  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 32 31  1  1
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 35  1  0
 38 41  1  0
 34 42  1  1
 33 43  1  1
 32 44  1  0
 44 45  2  0
 44 46  1  0
 47 46  1  1
 47 48  1  0
 48  2  1  0
 48 49  2  0
 47 50  1  0
 50 51  1  6
 50 52  1  0
 26 53  1  6
 14 54  1  6
 54 55  1  0
 55 56  2  0
 55 57  1  0
 57 58  2  0
 58 59  1  0
 59 60  2  0
 60 61  1  0
 61 62  2  0
 62 57  1  0
 60 63  1  0
 63 64  2  0
 64 65  1  0
 65 66  2  0
 66 67  1  0
 67 68  2  0
 68 63  1  0
 66 69  1  0
 69 70  2  0
 70 71  1  0
 71 72  2  0
 72 73  1  0
 73 74  2  0
 74 69  1  0
 72 75  1  0
 75 76  1  0
 76 77  1  0
 77 78  1  0
 78 79  1  0
 79 80  1  0
 12 81  1  6
 11 82  1  6
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12895

> <plate>
PLATE 025

> <well>
C5

> <supplier_cmpd_name>
Anidulafungin

> <ctcr_id>
11340

> <supplier_cmpd_id>
T6088

> <smiles>
C1N2[C@@H]([C@H]([C@H]1C)O)C(=O)N[C@@H]([C@@H](C[C@@H](C(=O)N[C@@H]([C@H](O)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H]([C@@H]([C@H](c1ccc(cc1)O)O)O)C(=O)N[C@H](C2=O)[C@@H](C)O)O)NC(=O)c1ccc(cc1)c1ccc(cc1)c1
ccc(cc1)OCCCCC)O)O

> <pd_targets>
{CYP2C8,REP,GSC1}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450",Transferase,"Cytochrome P450 family 2","Cytochrome P450 family 2C","Cytochrome P450 2C8"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Cytochrome P450","Anti-infective targets","CYP2 family: drug metabolising subset","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Metabolism,Disease,"Biological oxidations","Infectious disease","Phase I - Functionalization of compounds","SARS-CoV Infections","Cytochrome P450 - arranged by substrate type","SARS-CoV-2 Infection",
Xenobiotics,"SARS-CoV-2 Genome Replication and Transcription","CYP2E1 reactions","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{}

> <broad_moa>
{"fungal 1","3-beta-D-glucan synthase inhibitor"}

> <synonyms>
{Anidulafungin,Eraxis,166663-25-8,166663258,Ecalta,UNII-9HLM53094I,UNII9HLM53094I,"Anidulafungin (LY303366)",VER-002,VER002,CHEBI:55346,LY-303366,LY303366,9HLM53094I,V-Echinocandin,VEchinocandin,Anidu
lafungina,Anidulafungine,Anidulafunginum,"Anidulafungin (USAN:INN:BAN)",C58H73N7O17,SCHE,T6088}

> <pdid>
PD010079

> <targets>
{"glucan synthase"}

> <classes>
{Others}

> <pubchem_cids>
{166548}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4855   -9.7648    0.0000 C   0  0
    7.7846  -10.5149    0.0000 C   0  0
    9.0836   -9.7649    0.0000 C   0  0
    9.0836   -8.2649    0.0000 N   0  0
    7.7846   -7.5149    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  2 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12896

> <plate>
PLATE 025

> <well>
C6

> <supplier_cmpd_name>
Nicaraven

> <ctcr_id>
5838

> <supplier_cmpd_id>
T6606

> <smiles>
CC(CNC(=O)c1cccnc1)NC(=O)c2cccnc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"free radical scavenger"}

> <synonyms>
{Nicaraven,79455-30-4,79455304,"N,N'-(Propane-1,2-diyl)dinicotinamide","N,N'(Propane1,2diyl)dinicotinamide","1,2-Bis(nicotinamido)propane","1,2Bis(nicotinamido)propane","N,N'-Propylenenicotinamide","N
,N'Propylenenicotinamide",AVS,UNII-457KF8A3QQ,UNII457KF8A3QQ,457KF8A3QQ,N-(2-(pyridine-3-carbonylamino)propyl)pyridine-3-carboxamide,N(2(pyridine3carbonylamino)propyl)pyridine3carboxamide,NCGC00160494
-01,NCGC0016049401,3-Pyridinecarbo,3Pyridinecarbo,T6606,S4265}

> <pdid>
PD010678

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{71234}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 C   0  0
   -7.8003    1.4887    0.0000 O   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.3996    1.4837    0.0000 O   0  0
   -9.0964   -0.7636    0.0000 C   0  0
   -2.6030    2.9977    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  7 17  1  0
  2 18  1  0
  1 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12897

> <plate>
PLATE 025

> <well>
C7

> <supplier_cmpd_name>
Flurbiprofen Axetil

> <ctcr_id>
11341

> <supplier_cmpd_id>
T3500

> <smiles>
c1(c(cc(cc1)C(C(=O)OC(C)OC(=O)C)C)F)c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"analgesic agent"}

> <synonyms>
{91503-79-6,91503796,"91503 79 6",Ropion,"1-Acetoxyethyl 2-(2-fluoro-(1,1'-biphenyl)-4-yl)propanoate","1Acetoxyethyl 2(2fluoro(1,1'biphenyl)4yl)propanoate","1 Acetoxyethyl 2 (2 fluoro (1,1' biphenyl) 
4 yl)propanoate","1-acetyloxyethyl 2-(3-fluoro-4-phenylphenyl)propanoate","1acetyloxyethyl 2(3fluoro4phenylphenyl)propanoate","1 acetyloxyethyl 2 (3 fluoro 4 phenylphenyl)propanoate","FP 83",UNII-I0OU
31PUI5,UNIII0OU31PUI5,"UNII I0OU31PUI5",I0OU31PUI5,Ropiopn,Lipfen,FP-83,FP83,"LFP 83;Ropiopn;LFP",T3500,"Flurbiprofen Axetil"}

> <pdid>
PD013804

> <targets>
{COX-1,COX-2}

> <classes>
{Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{3395}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -4.0238   -1.0365    0.0000 N   0  0
   -4.9055   -2.2500    0.0000 C   0  0
   -4.0238   -3.4635    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 N   0  0
    0.0049   -5.9994    0.0000 C   0  0
    1.3026   -5.2471    0.0000 O   0  0
    0.0080   -7.5002    0.0000 C   0  0
    1.3070   -8.2503    0.0000 C   0  0
    1.3071   -9.7503    0.0000 N   0  0
    0.0080  -10.5003    0.0000 C   0  0
   -1.2910   -9.7503    0.0000 N   0  0
   -1.2911   -8.2503    0.0000 C   0  0
    0.0081  -12.0003    0.0000 N   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1894    6.0109    0.0000 N   0  0
    5.1894    7.5110    0.0000 C   0  0
    6.4884    8.2610    0.0000 C   0  0
    7.7875    7.5110    0.0000 O   0  0
    7.7875    6.0110    0.0000 C   0  0
    6.4885    5.2610    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 11  1  0
 10 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 22 25  1  0
  4 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12898

> <plate>
PLATE 025

> <well>
C8

> <supplier_cmpd_name>
Copanlisib

> <ctcr_id>
11342

> <supplier_cmpd_id>
T6322

> <smiles>
COc1c(ccc2c1nc(n1c2=NCC1)NC(=O)c1cnc(nc1)N)OCCCN1CCOCC1

> <pd_targets>
{PIK3CB,PIK3R1,PIK3CD,PIK3CG,MTOR,PIK3CA}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfami
ly"}

> <pathway_reactome>
{"Immune System",Metabolism,"Signal Transduction","Gene expression (Transcription)",Disease,"Cytokine Signaling in Immune system","Metabolism of lipids","Signaling by Receptor Tyrosine Kinases","RNA P
olymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Interleukins","Phospholipid metabolism","Signaling by Insulin receptor","Ge
neric Transcription Pathway","Signaling by FGFR in disease",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Insulin receptor signalling cascade","Transcriptional Regulation by TP53
","Signaling by FGFR1 in disease","Interleukin receptor SHC signaling","Synthesis of PIPs at the plasma membrane","IRS-mediated signalling","Regulation of TP53 Activity","FGFR1 mutant receptor activat
ion","PI3K Cascade","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Degradation"}

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{Copanlisib,1032568-63-0,1032568630,"BAY 80-6946","BAY 806946",Aliqopa,BAY80-6946,BAY806946,BAY-80-6946,UNII-WI6V529FZ9,UNIIWI6V529FZ9,"Copanlisib free base","BAY 80-6946 (Copanlisib)","BAY 806946 (Co
panlisib)",WI6V529FZ9,"1032568-63-0 (free base)","1032568630 (free base)","Copanlisib (BAY 80-6946)","Copanlisib (BAY 806946)","Copanlisib tris-HCl","Copanlisib trisHCl","Copanlisib (USAN/INN)",T6322}

> <pdid>
PD012595

> <targets>
{PI3K¦Á,PI3K¦Â,PI3K¦Ã,PI3K¦Ä}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{135565596}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 28  0  0  0  0            999 V2000
    8.8990    0.3712    0.0000 Na  0  3
    6.3990    0.3712    0.0000 Na  0  3
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6044    2.9986    0.0000 C   0  0
   -1.3071    3.7533    0.0000 C   0  0
   -1.3090    5.2533    0.0000 C   0  0
   -0.0109    6.0050    0.0000 C   0  0
   -0.0159    7.5058    0.0000 O   0  0
   -1.3170    8.2523    0.0000 C   0  0
    1.2891    5.2567    0.0000 C   0  0
    2.5894    6.0061    0.0000 O   0  0
    3.8884    5.2559    0.0000 C   0  0
    1.2910    3.7567    0.0000 C   0  0
    2.5902    3.0053    0.0000 O   0  0
    2.5900    1.5053    0.0000 C   0  0
   -0.0070    3.0050    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 P   0  0
   -2.6016   -2.9971    0.0000 O   0  5
   -2.6044   -4.4969    0.0000 O   0  5
   -1.3070   -5.2494    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 11  1  0
  8 23  1  0
 23 24  2  0
 24  5  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  2  0
M  CHG  4   1   1   2   1  27  -1  28  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12899

> <plate>
PLATE 025

> <well>
C9

> <supplier_cmpd_name>
Fosbretabulin Disodium

> <ctcr_id>
7555

> <supplier_cmpd_id>
T6272

> <smiles>
[Na+].[Na+].COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O[P]([O-])([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Fosbretabulin disodium",168555-66-6,168555666,"Combretastatin A4 disodium phosphate",CA4DP,Zybrestat,UNII-702RHR475O,UNII702RHR475O,"Fosbretabulin (disodium)","Fosbretabulin Disodium Salt","Combreta
statin A4 Phosphate Disodium Salt","Fosbretabulin disodium (USAN)",Fosbret,T6272,S7204,"Fosbretabulin Disodium","Combretastatin A4"}

> <pdid>

> <targets>
{"Microtubule Associated"}

> <classes>
{}

> <pubchem_cids>
{6918309,56605008}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 39 45  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    5.0460   -2.3579    0.0000 C   0  0
    6.2823   -1.5084    0.0000 C   0  0
    7.6962   -2.0093    0.0000 O   0  0
    5.8565   -0.0701    0.0000 N   0  0
    4.3570   -0.0307    0.0000 C   0  0
    3.4982    1.1992    0.0000 O   0  0
    4.9973   -3.8578    0.0000 C   0  0
    6.2559   -4.6520    0.0000 C   0  0
    5.8646   -6.1001    0.0000 N   0  0
    6.8064   -7.2685    0.0000 C   0  0
    8.2966   -7.1489    0.0000 C   0  0
    9.1474   -8.3843    0.0000 C   0  0
    8.5029   -9.7388    0.0000 N   0  0
    7.0076   -9.8579    0.0000 C   0  0
    6.1569   -8.6225    0.0000 C   0  0
    9.3516  -10.9766    0.0000 C   0  0
    8.7048  -12.3309    0.0000 C   0  0
    9.5513  -13.5693    0.0000 C   0  0
    8.9021  -14.9216    0.0000 C   0  0
    7.4064  -15.0355    0.0000 C   0  0
    6.5599  -13.7972    0.0000 C   0  0
    7.2091  -12.4449    0.0000 N   0  0
    4.3672   -6.1750    0.0000 C   0  0
    3.4207   -7.3387    0.0000 C   0  0
    1.9397   -7.1008    0.0000 C   0  0
    1.4052   -5.6993    0.0000 C   0  0
    2.3517   -4.5356    0.0000 C   0  0
    3.8327   -4.7735    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
 10  5  1  0
  4 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
 12 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 20 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 18  1  0
 39 34  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12900

> <plate>
PLATE 025

> <well>
C10

> <supplier_cmpd_name>
Enzastaurin

> <ctcr_id>
3854

> <supplier_cmpd_id>
T6280

> <smiles>
Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(C5CCN(CC5)Cc6ccccn6)c7ccccc47

> <pd_targets>
{PRKCA,DMPK,RPS6KA6,MET,RPS6KA4,MYLK4,MINK1,MAP4K1,CDK3,AXL,CDK7,PAK3,CLK1,CDK16,PRKG1,MELK,HIPK2,CLK4,PKN1,PRKCG,GRK7,PRKG2,AKT3,PRKCB,CAMK2D,PRKACA,CLK2,PIM1,RPS6KB1,CDKL2,STK17A,KIT,FLT3,PRKCH,TNK1
,RPS6KA5,PRKCE,PRKCZ,PRKCQ,STK26,MAP3K19,DYRK1B,PRKCD,PRKAA2,CDK14,PIP5K1C,FGFR1,PHKG1,JAK3,FLT4,TLK2,GSK3B,PRKACB,PIM3,CDK15,PDGFRB,RPS6KA1,RPS6KA3,CAMK2A,CAMK2B,CAMK2G,SLK,AAK1,STK33,MAPK15,STK3,DYR
K1A,HIPK4,NUAK2,CDK9,HIPK1,BMP2K,CAMKK2,STK16,CDK2,CILK1,GRK1,RPS6KA2,PIM2,TLK1}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","AGC protein kinase group","TK protein kinase group","CAMK protein kinase group","STE protein kinase group","CMGC protein kinase group","Other protein kinas
e group","AGC protein kinase PKC family","AGC protein kinase DMPK family","AGC protein kinase RSK family","Tyrosine protein kinase Met family","CAMK protein kinase MLCK family","STE protein kinase STE
20 family","CMGC protein kinase CDK family","Tyrosine protein kinase Axl family","CMGC protein kinase CLK family","AGC protein kinase PKG family","CAMK protein kinase CAMK1 family","CMGC protein kinas
e DYRK family","AGC protein kinase PKN family","AGC protein kinase GRK family","AGC protein kinase AKT family","CAMK protein kinase CAMK2 family","AGC protein kinase PKA family","CAMK protein kinase P
IM family","CMGC protein kinase CDKL family","CAMK protein kinase DAPK family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ack family","STE protein kinase STE11 family","Tyrosine p
rotein kinase FGFR family","CAMK protein kinase PHk family","Tyrosine protein kinase JakA family","Tyrosine protein kinase VEGFR family","Other protein kinase TLK family","CMGC protein kinase GSK fami
ly","Other protein kinase NAK family","CAMK protein kinase unique family","CMGC protein kinase MAPK family","Other protein kinase CAMKK family","CMGC protein kinase RCK family","AGC protein kinase PKC
 alpha subfamily","AGC protein kinase GEK subfamily","AGC protein kinase RSK subfamily","AGC protein kinase MSK subfamily","STE protein kinase MSN subfamily","STE protein kinase KHS subfamily","CMGC p
rotein kinase CDC2 subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase PAKA subfamily","CMGC protein kinase TAIRE subfamily","CAMK protein kinase MELK subfamily","CMGC protein kinase H
IPK subfamily","AGC protein kinase GRK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase PKC eta subfamily","AGC protein kinase PKC iota subfamily","AGC protein kinase PKC delta subfam
ily","STE protein kinase YSK subfamily","CMGC protein kinase Dyrk1 subfamily","CAMK protein kinase AMPK subfamily","CMGC protein kinase PFTAIRE","STE protein kinase SLK subfamily","STE protein kinase 
MST subfamily","CAMK protein kinase NuaK subfamily","CMGC protein kinase CDK9 subfamily","Other protein kinase Meta subfamily","CMGC protein kinase MAK"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast
 Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","Protein kinase C (PKC) family","DMPK family","RSK family","TK: Tyrosine kinase"
,"Myosin Light Chain Kinase (MLCK) family","STE20 family","Cyclin-dependent kinase (CDK) family","CLK family","Protein kinase G (PKG) family","CAMK-like (CAMKL) family","Dual-specificity tyrosine-(Y)-
phosphorylation regulated kinase (DYRK) family","Protein kinase N (PKN) family","G protein-coupled receptor kinases (GRKs)","Akt (Protein kinase B","PKB) family","CAMK2 family","Protein kinase A (PKA)
 family","PIM family","Cyclin-dependent kinase-like (CDKL) family","Death-associated kinase (DAPK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Phosphorylase kina
se (PHK) family","Other protein kinases","Glycogen synthase kinase (GSK) family","CAMK-unique family","Mitogen-activated protein kinases (MAP kinases)","RCK family","Delta subfamily","GEK subfamily","
RSK subfamily","Receptor tyrosine kinases (RTKs)","MSK subfamily","MSN subfamily","KHS subfamily","CDK1 subfamily","CDK7 subfamily","PAKA subfamily","TAIRE subfamily","MELK subfamily","HIPK subfamily"
,"Alpha subfamily","Opsin/rhodopsin kinases","p70 subfamily","Eta subfamily","Non-receptor tyrosine kinases (nRTKs)","Iota subfamily","YSK subfamily","STE20 subfamily","Dyrk1 subfamily","AMPK subfamil
y","Tousled-like kinase (TLK) family","GSK subfamily","SLK subfamily","NAK family","Erk7 subfamily","MST subfamily","NuaK subfamily","CDK9 subfamily","Numb-associated kinase (NAK) family","CAMKK famil
y","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Ack family","Typ
e V RTKs: FGF (fibroblast growth factor) receptor family","Janus kinase (JakA) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Meta subfamily"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Neuronal System","Developmental Biology","Cellular responses to external stimuli",Disease,Hemostasis,"Gene expression (Transcription)","Cell Cycle","Immune
 System","Programmed Cell Death",Metabolism,"Vesicle-mediated transport","Signaling by GPCR","Cardiac conduction","Transmission across Chemical Synapses","Nervous system development","Cellular respons
es to stress","Signaling by Receptor Tyrosine Kinases","Infectious disease","Platelet homeostasis","RNA Polymerase II Transcription","Signaling by Rho GTPases","MAPK family signaling cascades",Mitotic
,"Diseases of signal transduction by growth factor receptors and second messengers","MTOR signalling","Innate Immune System","Signaling by Nuclear Receptors",Apoptosis,"Intracellular signaling by seco
nd messengers","Metabolism of carbohydrates","Cytokine Signaling in Immune system","Membrane Trafficking","Signaling by Hippo","GPCR downstream signalling","Ion homeostasis","Neurotransmitter receptor
s and postsynaptic signal transmission","Axon guidance","Cellular Senescence","Signaling by VEGF","HIV Infection","Nitric oxide stimulates guanylate cyclase","Generic Transcription Pathway","RHO GTPas
e Effectors","MAPK1/MAPK3 signaling","M Phase","Mitotic G2-G2/M phases","FLT3 signaling in disease","mTORC1-mediated signalling","Signaling by KIT in disease","Signaling by Insulin receptor","Toll-lik
e Receptor Cascades","Fcgamma receptor (FCGR) dependent phagocytosis","ESR-mediated signaling","Apoptotic execution phase","Signaling by FGFR in disease","DAG and IP3 signaling","Glycogen metabolism",
"Signaling by Interleukins","SARS-CoV Infections","PIP3 activates AKT signaling","Clathrin-mediated endocytosis","Mitotic G1 phase and G1/S transition","G alpha (i) signalling events","Activation of N
MDA receptors and postsynaptic events","Semaphorin interactions","L1CAM interactions","Oxidative Stress Induced Senescence","VEGFA-VEGFR2 Pathway","HIV Life Cycle","EPH-Ephrin signaling","cGMP effects
","Transcriptional Regulation by TP53","RHO GTPases activate PKNs","Glutamate binding","activation of AMPA receptors and synaptic plasticity","RAF/MAP kinase cascade","Mitotic Prophase","G2/M Transiti
on","Signaling by FLT3 ITD and TKD mutants","Drug resistance of KIT mutants","Insulin receptor signalling cascade","G alpha (z) signalling events","Toll Like Receptor 5 (TLR5) Cascade","Role of phosph
olipids in phagocytosis","Extra-nuclear estrogen signaling","Apoptotic cleavage of cellular proteins","Signaling by FGFR1 in disease","CaM pathway","Glycogen breakdown (glycogenolysis)","Interleukin-2
 family signaling","VEGF ligand-receptor interactions","SARS-CoV-1 Infection","Negative regulation of the PI3K/AKT network","Cargo recognition for clathrin-mediated endocytosis","G0 and Early G1","Vis
ual phototransduction","Post NMDA receptor activation events","Sema4D in semaphorin signaling","Recycling pathway of L1","Late Phase of HIV Life Cycle","Ephrin signaling","Regulation of TP53 Activity"
,"Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Trafficking of AMPA receptors","RAS processing","Nuclear Envelope Breakdown","Centrosome maturation"
,"STAT5 activation downstream of FLT3 ITD mutants","Dasatinib-resistant KIT mutants","IRS-mediated signalling","MyD88 cascade initiated on plasma membrane","Estrogen-stimulated signaling through PRKCZ
","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","FGFR1 mutant receptor activation","Calmodulin induced events","Interleukin-15 signaling","VEGF binds to VEGFR leading to receptor
 dimerization","SARS-CoV-1 Genome Replication and Transcription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","The phototransduction cascade","CREB1 phosphorylation through NMDA receptor-mediated 
activation of RAS signaling","Sema4D mediated inhibition of cell attachment and migration","Transcription of the HIV genome","Regulation of TP53 Activity through Phosphorylation","Trafficking of GluR2
-containing AMPA receptors","Regulation of TP53 Expression and Degradation","Depolymerisation of the Nuclear Lamina","Loss of proteins required for interphase microtubule organization from the centros
ome","PI3K Cascade","MAP kinase activation","Signaling by activated point mutants of FGFR1","Replication of the SARS-CoV-1 genome","PKA-mediated phosphorylation of CREB","Activation of AMPK downstream
 of NMDARs",Inactivation,"recovery and regulation of the phototransduction cascade","RSK activation","HIV Transcription Elongation","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx th
rough NMDA receptor","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","PKA activation","Tat-mediated elongation of the HIV-1 transcript","CREB phosphorylat
ion","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{AKT1,GSK3B,PRKCA,PRKCB,PRKCD,PRKCG}

> <broad_moa>
{"PKC inhibitor"}

> <synonyms>
{Enzastaurin,170364-57-5,170364575,"Enzastaurin (LY317615)",LY317615,LY-317615,UNII-UC96G28EQF,UNIIUC96G28EQF,"Enzastaurin free base",UC96G28EQF,"LY 317615",CHEMBL300138,"170364-57-5 (free base)","170
364575 (free base)",DSSTox_CID_24029,DSSToxCID24029,DSSTox-CID-24029,"DSSTox CID 24029",DSSTox_RID_80101,DSSToxRID80101,DSSTox-RID-80101,"DSSTox RID 80101",DSSTox_GSID_44029,DSSToxGSID44029,DSSTox-GSI
D-44029,"DSSTox GSID 44029",C32H29N5O2,CAS-170364,CAS170364,T6280,S1055,ENZASTAURIN}

> <pdid>
PD003282

> <targets>
{PKC,"PKC-beta Inhibitors",Apoptosis,Autophagy}

> <classes>
{Apoptosis,Autophagy,Epigenetics,TGF-beta/Smad}

> <pubchem_cids>
{176167}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 33  0  0  1  0            999 V2000
    3.1476   -0.7184    0.0000 O   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
   -2.4793    3.4196    0.0000 C   0  0
   -2.5914    1.9238    0.0000 C   0  0
   -3.9436    1.2730    0.0000 C   0  0
   -5.1841    2.1164    0.0000 C   0  0
   -6.5348    1.4639    0.0000 C   0  0
   -6.6450   -0.0321    0.0000 C   0  0
   -8.1010   -0.3896    0.0000 N   0  0
   -8.6680   -1.7783    0.0000 C   0  0
   -8.8911    0.8855    0.0000 N   0  0
   -7.9226    2.0309    0.0000 C   0  0
   -8.2801    3.4885    0.0000 C   0  0
   -9.6125    4.1383    0.0000 C   0  0
   -9.3854    5.6210    0.0000 N   0  0
  -10.4515    6.6763    0.0000 C   0  0
   -7.9051    5.8633    0.0000 N   0  0
   -7.2173    4.5302    0.0000 C   0  0
   -5.4046   -0.8755    0.0000 C   0  0
   -4.0540   -0.2230    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -0.7500   -1.5574    0.0000 C   0  0  2  0  0  0
   -1.4008   -2.9088    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 17  1  0
 12 23  1  0
 23 24  2  0
 24  9  1  0
  8 25  2  0
 25  4  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  1
 27 29  1  0
 29  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12901

> <plate>
PLATE 025

> <well>
C11

> <supplier_cmpd_name>
CPI-637

> <ctcr_id>
11343

> <supplier_cmpd_id>
T6811

> <smiles>
O=C1Nc2cccc(c3cc4c(n(C)nc4c4cn(C)nc4)cc3)c2N[C@H](C)C1

> <pd_targets>
{BRD4,CREBBP,CECR2,BRD9,EP300}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Writer,Bromodomain,"Histone acetyltransferase","p300/CBP family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","Bromodomain kinase
 (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","Generic Transcription Pathway","Potential therapeutics for SARS","Transcription
al Regulation by TP53","TP53 Regulates Transcription of Cell Death Genes","Regulation of TP53 Activity","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release","Regulation of TP53 Act
ivity through Acetylation","PI5P Regulates TP53 Acetylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PI63,CPI-637,CPI637,1884712-47-3,1884712473,CHEMBL3814752,SCHEMBL17673230,EX-A2386,EXA2386,BDBM50178219,s8190,ZINC575440970,CCG-268482,CCG268482,CS-5946,CS5946,BS-16173,BS16173,HY-100482,HY100482,Q27
456285,C(C@H)1NC2=C(NC(C1)=O)C=CC=C2C=1C=C2C(=NN(C2=CC=1)C)C=1C=NN(C=1)C,T6811}

> <pdid>
PD057507

> <targets>
{BRD4,CBP,EP300,Epigenetic Reader Domain,Histone Acetyltransferase}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{121271792}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 40  0  0  1  0            999 V2000
   15.4089   -1.4844    0.0000 N   0  0
   14.3320   -2.5285    0.0000 C   0  0
   14.6982   -3.9831    0.0000 O   0  0
   12.8886   -2.1173    0.0000 N   0  0
   12.5203   -0.6632    0.0000 C   0  0
   11.0769   -0.2551    0.0000 C   0  0
   10.0017   -1.3010    0.0000 C   0  0
   10.3700   -2.7551    0.0000 C   0  0
   11.8135   -3.1632    0.0000 C   0  0
    8.5566   -0.8956    0.0000 C   0  0
    7.4824   -1.9437    0.0000 C   0  0
    7.8532   -3.3972    0.0000 O   0  0
    6.0373   -1.5383    0.0000 N   0  0
    4.9622   -2.5843    0.0000 C   0  0
    3.5188   -2.1762    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    4.2257    0.3239    0.0000 C   0  0
    5.6691   -0.0842    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0  1  0  0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 N   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
    1.0157    5.5663    0.0000 Br  0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
   -1.5000   -5.4558    0.0000 Cl  0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    3.0000   -2.8580    0.0000 Br  0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 19 16  1  6
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 36 19  1  0
 36 29  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12902

> <plate>
PLATE 025

> <well>
D2

> <supplier_cmpd_name>
Lonafarnib

> <ctcr_id>
7529

> <supplier_cmpd_id>
T6302

> <smiles>
NC(=O)N1CCC(CC1)CC(=O)N2CCC(CC2)[C@H]3c4ncc(Br)cc4CCc5cc(Cl)cc(Br)c35

> <pd_targets>
{KRAS,HRAS,FNTA,FNTB,NRAS,ABCB1}

> <pathway_gtopdb>
{"Unclassified protein","Other cytosolic protein",Enzyme,Transporter,Transferase,"Primary active transporter","ATP-binding cassette","ABCB subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"3.6.5.2 Small monomeric GTPases","ATP-binding cassette transporter family","2.5.1.58 Protein farnesyltransferase","RAS subfamily","ABCB subfamily"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Signal Transduction","Transmission across Chemical Synapses","Abacavir transport and metabolism","Signaling by GPCR","Neurotransmitter receptors and postsynaptic signal 
transmission","Abacavir transmembrane transport","GPCR downstream signalling","Activation of NMDA receptors and postsynaptic events","G alpha (i) signalling events","Post NMDA receptor activation even
ts","Visual phototransduction","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","The phototransduction cascade","Ras activation upon Ca2+ influx through NMDA receptor
",Inactivation,"recovery and regulation of the phototransduction cascade"}

> <broad_targets>
{FNTA,HRAS,KRAS,NRAS}

> <broad_moa>
{"farnesyltransferase inhibitor"}

> <synonyms>
{cc-590,cc590,MLS006010423,MLS006011106,GTPL8024,"Lonafarnib, >=98 (HPLC)",BDBM14459,CHEBI:47097,DTXSID90172927,BCP07027,EX-A1630,EXA1630,ZINC3950115,NSC719467,s2797,AKOS005145760,CCG-270312,CCG270312
,CS-0792,CS0792,DB06448,NSC-719467,SB16694,NCGC00346707-01,NCGC0034670701,AC-32661,AC32661,AS-56182,AS56182,T6302,S2797,Lonafarnib}

> <pdid>
PD010566

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{148195}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 20  0  0  1  0            999 V2000
    7.5973    0.8802    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0  2  0  0  0
   -4.0317   -0.7359    0.0000 N   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.2524    0.2436    0.0000 C   0  0  1  0  0  0
   -7.7447    0.3952    0.0000 O   0  0
   -5.2526    1.3618    0.0000 C   0  0  2  0  0  0
   -5.5610    2.8279    0.0000 O   0  0
   -6.9870    3.2956    0.0000 C   0  0
   -8.1042    2.2947    0.0000 C   0  0
   -7.2957    4.7635    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.0973    0.8802    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  1
 12 14  1  0
 14  9  1  0
 14 15  1  6
 15 16  1  0
 16 17  1  0
 16 18  2  0
  7 19  1  0
 19 20  2  0
 20  4  1  0
M  CHG  2   1  -1  21   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12903

> <plate>
PLATE 025

> <well>
D3

> <supplier_cmpd_name>
Anisomycin

> <ctcr_id>
932

> <supplier_cmpd_id>
T6758

> <smiles>
[Cl-].COc1ccc(C[C@@H]2NC[C@@H](O)[C@@H]2OC(C)=O)cc1.[H+]

> <pd_targets>
{LMGT2,HSF1,SLC2A1,REP,HT1,RORC}

> <pathway_gtopdb>
{Transporter,"Other cytosolic protein",Enzyme,"Transcription factor","Electrochemical transporter","Nuclear receptor","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1","SLC02
 family of hexose and sugar alcohol transporters","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Transporters,"Other protein targets",Receptors,"SLC superfamily of solute carriers","Anti-infective targets","Nuclear hormone receptors","SLC2 family of hexose and sugar alcohol transporters","Viral 
protein targets","1F. Retinoic acid-related orphans","Class I transporters","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Disease,"Gene expression (Transcription)","Cellular responses to stress","Disorders of transmembrane transporters","Infectious disease","RNA Polymerase II Tra
nscription","Cellular response to heat stress","SLC transporter disorders","SARS-CoV Infections","Generic Transcription Pathway","HSF1-dependent transactivation","Defective SLC2A1 causes GLUT1 deficie
ncy syndrome 1 (GLUT1DS1)","SARS-CoV-1 Infection","Transcriptional regulation by RUNX3","Attenuation phase","SARS-CoV-1 Genome Replication and Transcription","RUNX3 Regulates Immune Response and Cell 
Migration","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{NHP2L1,RPL10L,RPL11,RPL13A,RPL15,RPL19,RPL23,RPL23A,RPL26L1,RPL3,RPL37,RPL8,RSL24D1}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{UNII-6CQU2V295F,UNII6CQU2V295F,6CQU2V295F,22862-75-5,22862755,"Anisomycin, hydrochloride",NSC147340,"NSC 147340",MLS002702945,"ANISOMYCIN - HCL","ANISOMYCIN  HCL",SCHEMBL1003579,CHEMBL1998740,DTXSID0
0177403,NSC-147340,3,2-(p-methoxybenzyl)-,2(pmethoxybenzyl),3-acetate,3acetate,hydrochloride,cis-2,cis2,trans-3,trans3,4,T6758,Anisomycin}

> <pdid>
PD005847

> <targets>
{JNK,Antibiotic,Apoptosis,Bacterial,"DNA/RNA Synthesis"}

> <classes>
{Anti-infection,Apoptosis,Cell Cycle/DNA Damage,MAPK/ERK Pathway}

> <pubchem_cids>
{462385}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 N   0  3
    0.0007    0.0004    0.0000 O   0  5
    2.5993    0.0004    0.0000 O   0  0
   17.8534   -3.3718    0.0000 Cl  0  0
   16.5544   -2.6218    0.0000 C   0  0
   16.5544   -1.1218    0.0000 C   0  0
   15.2554   -0.3718    0.0000 C   0  0
   13.9563   -1.1219    0.0000 C   0  0
   12.6550   -0.3741    0.0000 C   0  0
   11.3563   -1.1264    0.0000 S   0  0
   10.0550   -0.3787    0.0000 C   0  0
    8.7564   -1.1309    0.0000 C   0  0
    7.4551   -0.3832    0.0000 N   0  0
    6.1037   -1.0042    0.0000 C   0  0
    5.1000    0.1105    0.0000 C   0  0
    5.8500    1.4095    0.0000 N   0  0
    7.3172    1.0977    0.0000 C   0  0
   10.0524    1.1221    0.0000 C   0  0
   11.3512    1.8727    0.0000 C   0  0
   11.3506    3.3727    0.0000 C   0  0
   10.0513    4.1222    0.0000 C   0  0
   10.0507    5.6222    0.0000 Cl  0  0
    8.7525    3.3717    0.0000 C   0  0
    8.7531    1.8717    0.0000 C   0  0
    7.8872    1.3714    0.0000 Cl  0  0
   13.9563   -2.6219    0.0000 C   0  0
   15.2554   -3.3719    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 14  1  0
 12 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
  9 27  1  0
 27 28  2  0
 28  6  1  0
M  CHG  2   2   1   3  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12904

> <plate>
PLATE 025

> <well>
D4

> <supplier_cmpd_name>
Sulconazole Nitrate

> <ctcr_id>
6399

> <supplier_cmpd_id>
T6686

> <smiles>
O[N+]([O-])=O.Clc1ccc(CSC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{HMS2097B21,HMS2232B18,"Sulconazole nitrate",61318-91-0,61318910,82382-23-8,82382238,Exelderm,"Sulconazole nitrate salt",Sulconazolenitrate,"1-(2-(4-Chlorobenzylthio)-2-(2,4-dichlorophenyl)ethyl)-1H-i
midazole nitrate","1(2(4Chlorobenzylthio)2(2,4dichlorophenyl)ethyl)1Himidazole nitrate","Sulconazole (nitrate)",Sulconazo,T0444L,T6686,1501148,Prestw-810,"Econazole nitrate","Sulconazole Nitrate","SUL
CONAZOLE NITRATE"}

> <pdid>
PD005536

> <targets>
{}

> <classes>
{antifungal}

> <pubchem_cids>
{65495}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 36  0  0  1  0            999 V2000
   -4.7175   -4.3834    0.0000 C   0  0
   -3.6663   -3.3134    0.0000 C   0  0
   -2.2130   -3.6880    0.0000 C   0  0
   -1.8114   -5.1333    0.0000 O   0  0
   -1.1612   -2.6174    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0  1  0  0  0
    2.2703   -4.0021    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 F   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.7499   -4.3804    0.0000 C   0  0
    1.7256   -4.5995    0.0000 O   0  0
   -0.2668   -5.4844    0.0000 C   0  0
    0.1798   -6.9164    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 21 15  1  0
 21 22  1  6
 21 23  1  0
 23 11  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28  6  1  0
 28 10  1  0
 28 29  1  6
  6 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12905

> <plate>
PLATE 025

> <well>
D5

> <supplier_cmpd_name>
Halobetasol Propionate

> <ctcr_id>
7892

> <supplier_cmpd_id>
T6529

> <smiles>
CCC(=O)O[C@]1([C@@H](C)CC2C3CC(F)C4=CC(=O)C=C[C@]4(C)[C@]3(F)C(O)C[C@]12C)C(=O)CCl

> <pd_targets>
{NR3C1}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","FOXO-mediated transcription of oxidative stress","metabolic and neur
onal genes"}

> <broad_targets>
{NR3C1,PLA2G1B}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{"HALOBETASOL PROPIONATE",CHEMBL4303362,SW219967-1,SW2199671,BRD-K65877271-001-01-8,BRDK65877271001018,S4089,"Halobetasol Propionate"}

> <pdid>
PD012087

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{129009989}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    8.9878    7.8567    0.0000 C   0  0
    7.9821    8.9696    0.0000 C   0  0
    8.4432   10.3970    0.0000 C   0  0
    7.4375   11.5100    0.0000 C   0  0
    5.9708   11.1956    0.0000 C   0  0
    5.5098    9.7682    0.0000 C   0  0
    6.5154    8.6551    0.0000 C   0  0
    6.0519    7.2277    0.0000 N   0  0
    7.0558    6.1132    0.0000 C   0  0
    6.5925    4.6865    0.0000 C   0  0
    5.1253    4.3743    0.0000 N   0  0
    4.1214    5.4890    0.0000 C   0  0
    4.5847    6.9156    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 N   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   11.4883    5.0050    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 16  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12906

> <plate>
PLATE 025

> <well>
D6

> <supplier_cmpd_name>
Dapiprazole Hydrochloride

> <ctcr_id>
11344

> <supplier_cmpd_id>
T3996

> <smiles>
Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2.Cl

> <pd_targets>
{ADRA1B,ADRA1A,ADRA1D,HTR2A,HTR1A,HTR2C,ADRA2B,HTR2B}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Adrenergic receptor","Serotonin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors",Adrenoceptors,"5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Amine ligand-binding receptors",Adrenoceptors,"Serotonin receptors"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{"Dapiprazole hydrochloride",72822-13-0,72822130,"Dapiprazole HCl","Dapiprazole (hydrochloride)",Rev-Eyes,RevEyes,Glamidolo,UNII-DS9UJN1I0X,UNIIDS9UJN1I0X,Reversil,DS9UJN1I0X,"AF 2139",DAPIPRAZOLEHYDR
OCHLORIDE,"Dapiprazole hydrochloride (USAN)",Remydrial,AF-21,AF21,T3996,"Dapiprazole Hydrochloride"}

> <pdid>
PD010115

> <targets>
{¦Á1-adrenergic receptor,Adrenergic Receptor}

> <classes>
{GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{6917787}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 19  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   11.7013    2.2508    0.0000 C   0  0
   13.0013    3.0008    0.0000 C   0  0
   13.0028    4.5016    0.0000 C   0  0
   14.3027    5.2516    0.0000 C   0  0
   14.3042    6.7525    0.0000 C   0  0
   15.6042    7.5025    0.0000 C   0  0
   15.6056    9.0033    0.0000 C   0  0
   16.9056    9.7533    0.0000 C   0  0
   18.2041    9.0025    0.0000 O   0  0
   16.9070   11.2533    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12908

> <plate>
PLATE 025

> <well>
D8

> <supplier_cmpd_name>
Oleic acid

> <ctcr_id>
6169

> <supplier_cmpd_id>
T2O2668

> <smiles>
CCCCCCCC\C=C/CCCCCCCC(O)=O

> <pd_targets>
{TERT,FABP4,CYP1A2,TOP1,F3,F7,FABP1,LOX1.1,PPARG,FAAH,FABP5,HSD17B10,KCNH2,CYP19A1,FFAR4,PPARA,PPARD,FFAR1,BLM,KMT2A,MAPT,PLD2,CYP2C19,POLB,RECQL,FTL,NFO,APEX1,NPSR1,CYP2C9,LMNA,ALOX15,GMNN,USP2,TDP1}

> <pathway_gtopdb>
{Enzyme,Transferase,"Auxiliary transport protein","Transcription factor","Ion channel","Membrane receptor","Epigenetic regulator","Other cytosolic protein","Unclassified protein","Other nuclear protei
n","Fatty acid binding protein family","Cytochrome P450",Isomerase,Protease,Oxidoreductase,"Nuclear receptor",Hydrolase,"Voltage-gated ion channel","Family A G protein-coupled receptor",Reader,"Cytoch
rome P450 family 1","Serine protease","Nuclear hormone receptor subfamily 1","Potassium channels","Cytochrome P450 family 19","Small molecule receptor (family A GPCR)",Bromodomain,"Cytochrome P450 fam
ily 2","Peptide receptor (family A GPCR)","Cysteine protease","Cytochrome P450 family 1A","Serine protease PA clan","Nuclear hormone receptor subfamily 1 group C","Voltage-gated potassium channel","Cy
tochrome P450 family 19A","Lipid-like ligand receptor (family A GPCR)","Cytochrome P450 family 2C","Short peptide receptor (family A GPCR)","Cysteine protease CA clan","Cytochrome P450 1A1","Serine pr
otease S1A subfamily","Nuclear hormone receptor subfamily 1 group C member 3","Cytochrome P450 19A1","Free fatty acid receptor","Nuclear hormone receptor subfamily 1 group C member 1","Nuclear hormone
 receptor subfamily 1 group C member 2","Cytochrome P450 2C19","Neuropeptide receptor","Cytochrome P450 2C9","Cysteine protease C1A family","Cysteine protease C19 family"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"Ion channels","Fatty acid-binding proteins","Cytochrome P450","DNA topoisomerases","Nuclear hormone receptors","Endocannabinoid turnover","Voltage-gated ion
 channels","G protein-coupled receptors","Chromatin modifying enzymes","Glycerophospholipid turnover","Eicosanoid turnover","Peptidases and proteinases","CYP1 family","1C. Peroxisome proliferator-acti
vated receptors","<i>N</i>-Acylethanolamine turnover","Potassium channels",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Free fatty acid receptors","2.1.1.43 Histone methyltransferases (HMTs)","Phosph
atidylcholine-specific phospholipase D","CYP2 family: drug metabolising subset","Neuropeptide S receptor",Lipoxygenases,"CA: Cysteine (C) Peptidases","Voltage-gated potassium channels","C19: Ubiquitin
-specific protease"}

> <pathway_reactome>
{"Cell Cycle","Chromosome Maintenance","Telomere Maintenance","Extension of Telomeres","Telomere Extension By Telomerase",Metabolism,"Metabolism of proteins","Gene expression (Transcription)","Muscle 
contraction","Signal Transduction","DNA Repair","Neuronal System","Vesicle-mediated transport",Disease,"Metabolism of lipids","Biological oxidations","Post-translational protein modification","RNA Pol
ymerase II Transcription","Metabolism of amino acids and derivatives","Cardiac conduction","Signaling by GPCR","The citric acid (TCA) cycle and respiratory electron transport","Integration of energy m
etabolism","DNA Double-Strand Break Repair","Signaling by Receptor Tyrosine Kinases","Transmission across Chemical Synapses","Base Excision Repair","Membrane Trafficking","Infectious disease",Mitotic,
"Triglyceride metabolism","Phase I - Functionalization of compounds",SUMOylation,"Regulation of lipid metabolism by PPARalpha","Generic Transcription Pathway","Fatty acid metabolism","Branched-chain a
mino acid catabolism","Phase 3 - rapid repolarisation","GPCR ligand binding","Metabolism of steroids","Pyruvate metabolism and Citric Acid (TCA) cycle","Regulation of insulin secretion","Homology Dire
cted Repair","Signaling by NTRKs","Neurotransmitter receptors and postsynaptic signal transmission","Phospholipid metabolism","Resolution of Abasic Sites (AP sites)","trans-Golgi Network Vesicle Buddi
ng","Leishmania infection","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Triglyceride catabolism","Cytochrome P450 - arranged by substra
te type","SUMO E3 ligases SUMOylate target proteins","PPARA activates gene expression","Transcriptional Regulation by MECP2","Arachidonic acid metabolism","Class A/1 (Rhodopsin-like receptors)","Regul
ation of cholesterol biosynthesis by SREBP (SREBF)","Pyruvate metabolism","Free fatty acids regulate insulin secretion","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","S
ignaling by NTRK1 (TRKA)","Transcriptional regulation by RUNX1","Activation of NMDA receptors and postsynaptic events","Glycerophospholipid biosynthesis","Resolution of AP sites via the multiple-nucle
otide patch replacement pathway","Golgi Associated Vesicle Biogenesis","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Biosynthesis of DPA-derived SPMs","G1/S Transition","
Transcriptional Regulation by TP53",Xenobiotics,"SUMOylation of DNA replication proteins","MECP2 regulates transcription factors","Endogenous sterols","Free fatty acid receptors","Activation of gene e
xpression by SREBF (SREBP)","Regulation of pyruvate dehydrogenase (PDH) complex","Fatty Acids bound to GPR40 (FFAR1) regulate insulin secretion","HDR through Homologous Recombination (HRR)","Nuclear E
vents (kinase and transcription factor activation)","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Post NMDA receptor activation events","Synthesis of PA","PC
NA-Dependent Long Patch Base Excision Repair","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","Activation of the pre-replicative c
omplex","Regulation of TP53 Activity","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Homologous DNA Pairing and Strand Exchange","NGF-stimulated transcription","Activation of AMPK
 downstream of NMDARs","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Regula
tion of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","Nonhomolo
gous End-Joining (NHEJ)"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"oleic acid",112-80-1,112801,"cis-9-Octadecenoic acid","cis9Octadecenoic acid","(Z)-Octadec-9-enoic acid","(Z)Octadec9enoic acid","cis-Oleic acid","cisOleic acid",oleate,"Elaidoic acid","Glycon wo","
Wecoline OO","Pamolyn 100","Glycon RO",Metaupon,Oelsauere,"Vopcolene 27","Groco 5l","Groco 2","Groco 4","Groco 6",T,T4867,T4740,T4870,T4944,T4872,T2O2668,NSC9856,"NSC 9856","Erucic acid","Elaidic acid
","Petroselinic acid","Nervonic acid","Palmitoleic acid","Oleic acid","K 52"}

> <pdid>
PD060379

> <targets>
{Endogenous Metabolite,PI3K}

> <classes>
{Metabolic Enzyme/Protease,PI3K/Akt/mTOR}

> <pubchem_cids>
{445639}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  8  0  0  0  0            999 V2000
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -0.0031    2.7742    0.0000 C   0  0
   -1.3033    3.5223    0.0000 O   0  0
    1.2946    3.5265    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12909

> <plate>
PLATE 025

> <well>
D9

> <supplier_cmpd_name>
proline

> <ctcr_id>
11345

> <supplier_cmpd_id>
T2O2683

> <smiles>
C1CC(NC1)C(=O)O

> <pd_targets>
{LEF,ACE,LMNA,PPIB,PPIA,GRIN1,FFP}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Ion channel",Protease,Isomerase,"Ligand-gated ion channel",Transferase,"Metallo protease","Ionotropic glutamate receptor","Metallo protease MAE clan","NMDA receptor","
Metallo protease M34 family","Metallo protease M2 family"}

> <pathway_chembl>
{Enzymes,"Ion channels","Peptidases and proteinases","Peptidyl-prolyl cis/trans isomerases","Ligand-gated ion channels","MA: Metallo (M) Peptidases","Ionotropic glutamate receptors","M2: Angiotensin-c
onverting  (ACE and ACE2)"}

> <pathway_reactome>
{Disease,"Metabolism of proteins","Cell Cycle","Extracellular matrix organization","Neuronal System","Infectious disease","Peptide hormone metabolism",Mitotic,"Collagen formation","Transmission across
 Chemical Synapses","Uptake and actions of bacterial toxins","Metabolism of Angiotensinogen to Angiotensins","M Phase","Collagen biosynthesis and modifying enzymes","HIV Infection","Neurotransmitter r
eceptors and postsynaptic signal transmission","Uptake and function of anthrax toxins","Mitotic Metaphase and Anaphase","HIV Life Cycle","Activation of NMDA receptors and postsynaptic events","Mitotic
 Anaphase","Early Phase of HIV Life Cycle","Post NMDA receptor activation events","Nuclear Envelope (NE) Reassembly","Reverse Transcription of HIV RNA","CREB1 phosphorylation through NMDA receptor-med
iated activation of RAS signaling","Initiation of Nuclear Envelope (NE) Reformation","Minus-strand DNA synthesis","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{EPRS,L3HYPDH,P3H1,P3H2,P3H3,P4HA1,P4HA2,PARS2,PPIA,PPIB,PPIC,PPIF,PPIG,PPIH,PRODH,PROSC,PYCR1,PYCR2,PYCRL,SLC6A14,SLC6A7}

> <broad_moa>
{"glutamate receptor agonist"}

> <synonyms>
{DL-Proline,DLProline,609-36-9,609369,proline,"pyrrolidine-2-carboxylic acid","pyrrolidine2carboxylic acid",H-DL-Pro-OH,HDLProOH,"Proline, DL-","Proline, DL","2-Pyrrolidine carboxylic acid","2Pyrrolid
ine carboxylic acid",MFCD00005250,Hpro,"(+/-)-Pyrrolidine-2-carboxylic acid","(+/)Pyrrolidine2carboxylic acid","L-Proline, homopolymer","LProline, homopolymer","D-Pyrrolidine-2-carboxylic acid","DPyrr
olidine2carboxylic acid",NSC97923,Prol,T2O2683}

> <pdid>
PD007581

> <targets>
{"Endogenous Metabolite"}

> <classes>
{"Metabolic Enzyme/Protease"}

> <pubchem_cids>
{614}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    6.3990    0.8119    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -6.8067    5.2165    0.0000 O   0  0
   -8.2985    5.3732    0.0000 C   0  0
   -8.9086    4.0029    0.0000 O   0  0
   -7.7943    2.9999    0.0000 C   0  0
   -7.7943    1.4999    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  3
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 12  2  0
 16 17  1  0
 17 18  2  0
 18 10  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21  9  1  0
 21 22  2  0
 22 23  1  0
 23  7  1  0
 23 24  2  0
 24  4  1  0
 24 25  1  0
 25 26  1  0
M  CHG  2   1  -1  21   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12910

> <plate>
PLATE 025

> <well>
D10

> <supplier_cmpd_name>
Berberine

> <ctcr_id>
5845

> <supplier_cmpd_id>
T4S0797

> <smiles>
[Cl-].COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC

> <pd_targets>
{PTPN1,SENP8,NA,BCHE,FTSZ,TERT,GSC2,TSHR,KCNH2,CYP1B1,ALDH1A1,CYP2D6,ACHE,HIF1A,ALD,IMPA1,KMT2A,MEN1,CYP3A4,MAPT,CYP1A2,HTT,HTR4,RAD52,LEF,RORC,LMNA,AMPC,AKR1C3,AKR1C2,ADRA2B,CHRM1,ADRA2C,HTR2B,SIGMAR
1,NPSR1,SAE1,UBA2,POLB,KDM4E,UBE2I,HPGD}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Membrane receptor","Ion channel","Transcription factor","Epigenetic regulator","Unclassified protein","Other nuclear protein",Phosphatase,Protease,Hydrolase,Transfer
ase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Cytochrome P450",Oxidoreductase,Reader,"Nuclear receptor","Protein Phosphatase","Cysteine protease","Peptide receptor (family A G
PCR)","Potassium channels","Cytochrome P450 family 1","Cytochrome P450 family 2",Bromodomain,"Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Metallo protease","Nuclear hormone re
ceptor subfamily 1","Tyrosine protein phosphatase","Cysteine protease CE clan","Glycohormone receptor","Voltage-gated potassium channel","Cytochrome P450 family 1B","Cytochrome P450 family 2D","Cytoch
rome P450 family 3A","Cytochrome P450 family 1A","Monoamine receptor","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Cysteine protease C48 family","Cytochrome P450 1B1","C
ytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1","Serotonin receptor","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group F member 3","Adrenergic receptor","Acetyl
choline receptor",Aminoacyltransferase,Eraser,"Lysine demethylase","Short peptide receptor (family A GPCR)","Jumonji domain-containing","Neuropeptide receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Other protein targets",Phosphatases,"Peptidases and proteinases","Acetylcholine turnover","G protein-coupled receptors","Voltage-gated ion channels","Cytochrome P450
","Inositol phosphate turnover","Nuclear hormone receptors","Eicosanoid turnover","Sigma receptors","Protein tyrosine phosphatases non-receptor type (PTPN)","CE: Cysteine (C) Peptidases","Glycoprotein
 hormone receptors","Potassium channels","CYP1 family","CYP2 family: drug metabolising subset","Inositol monophosphatase","CYP3 family","5-Hydroxytryptamine receptors","1F. Retinoic acid-related orpha
ns","Prostaglandin synthases",Adrenoceptors,"Acetylcholine receptors (muscarinic)","C48: Ulp1 endopeptidase","Voltage-gated potassium channels","Chromatin modifying enzymes","Neuropeptide S receptor",
"1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins",Metabolism,"Cell Cycle",Disease,"Muscle contraction","Cellular responses to external stimuli","Neuronal System","DNA Repair","Signal Transdu
ction","RNA Polymerase II Transcription","Post-translational protein modification","Metabolism of lipids","Chromosome Maintenance","Infectious disease","Cardiac conduction","Biological oxidations","Ce
llular responses to stress","Inositol phosphate metabolism","Transmission across Chemical Synapses","DNA Double-Strand Break Repair",Mitotic,"Signaling by GPCR","Generic Transcription Pathway",Deubiqu
itination,"Phospholipid metabolism","Telomere Maintenance","Leishmania infection","Phase 3 - rapid repolarisation","Phase I - Functionalization of compounds","Cellular response to hypoxia","Influenza 
Infection","Synthesis of IP2",IP,"and Ins in the cytosol","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Homology Direct
ed Repair","Uptake and actions of bacterial toxins","M Phase","Metabolism of steroids","GPCR ligand binding","SARS-CoV Infections","Transcriptional Regulation by MECP2","UCH proteinases","Glycerophosp
holipid biosynthesis","Extension of Telomeres","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Oxygen-dependent proline hydroxylation of H
ypoxia-inducible Factor Alpha","Virus Assembly and Release","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","HDR through Homologous Recombination (HRR) or Sin
gle Strand Annealing (SSA)","Uptake and function of anthrax toxins","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism","Class A/1 (Rhodopsin-li
ke receptors)","Potential therapeutics for SARS","MECP2 regulates neuronal receptors and channels","Synthesis of PC","Telomere Extension By Telomerase","Anti-inflammatory response favouring Leishmania
 parasite infection","Endogenous sterols",Xenobiotics,"Assembly of Viral Components at the Budding Site","Biosynthesis of maresins","Post NMDA receptor activation events","Regulation of MECP2 expressi
on and activity","HDR through Single Strand Annealing (SSA)","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Synthesis of bile acids and bile salts","Amine ligand-binding rece
ptors","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","Biosyn
thesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids an
d bile salts via 24-hydroxycholesterol",Adrenoceptors,"Muscarinic acetylcholine receptors","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformation","Base Excision Repair",SUMOylation,"R
esolution of Abasic Sites (AP sites)","Processing and activation of SUMO","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","SUMO is conjugated to E1 (UBA2:SAE1)","PCNA-De
pendent Long Patch Base Excision Repair","Biosynthesis of D-series resolvins","Postmitotic nuclear pore complex (NPC) reformation"}

> <broad_targets>
{LDLR}

> <broad_moa>
{"LDL receptor activator"}

> <synonyms>
{"berberine chloride","Berberine hydrochloride",633-65-8,633658,"Natural Yellow 18","Berberinium chloride","Berberine (chloride)","Berberine HCl",UNII-UOT4O1BYV8,UNIIUOT4O1BYV8,"Berberin  hydrochlorid
e",Benzodioxide,MFCD00011939,UOT4O1BYV8,NSC-163088,NSC163088,MLS002702530,T4S0797,T0461,1500811,"NSC 163088",Berberine,"BERBERINE CHLORIDE","Berberine chloride"}

> <pdid>
PD006954

> <targets>
{Antibiotic,Autophagy,Bacterial,Reactive Oxygen Species,Topoisomerase}

> <classes>
{cholinesterase,alpha2 agonist,antiinflammatory,antibacterial,antifungal,antitrypanosomal,immunostimulant,antiarrhythmic,anticonvulsant,antineoplastic,Anti-infection,Autophagy,Cell Cycle/DNA Damage,Im
munology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{12456,6426334}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 14  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2570    0.0000 O   0  0
   -5.1937   -3.0093    0.0000 O   0  5
    2.5981    1.5000    0.0000 O   0  0
    5.0987   -1.8787    0.0000 Na  0  3
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  3  1  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 11 13  1  0
  4 14  1  0
M  CHG  2  13  -1  15   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12911

> <plate>
PLATE 025

> <well>
D11

> <supplier_cmpd_name>
Sodium ferulic

> <ctcr_id>
11346

> <supplier_cmpd_id>
T2S0007

> <smiles>
COC1=C(C=CC(=C1)C=CC(=O)[O-])O.[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, monosodium salt","2Propenoic acid, 3(4hydroxy3methoxyphenyl), monosodium salt","ferulic acid sodium",MFCD00075727,SCHEMBL81854,"3-methoxy-4-hydroxy-
cinnamate sodium","3methoxy4hydroxycinnamate sodium",AKOS028109595,AK111293,SY233138,FT-0656113,FT0656113,A817186,"sodium 3-(4-hydroxy-3-methoxyph","sodium 3(4hydroxy3methoxyph",T2S0007,"Sodium feruli
c"}

> <pdid>

> <targets>
{"5-HT Receptor"}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{23678223}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6281   -2.2462    0.0000 C   0  0
   -1.0160   -3.6157    0.0000 O   0  0
   -3.1202   -2.0921    0.0000 O   0  0
    2.6401    0.8578    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  2  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12912

> <plate>
PLATE 025

> <well>
E2

> <supplier_cmpd_name>
L-Hydroxyprolin

> <ctcr_id>
11347

> <supplier_cmpd_id>
T2A2476

> <smiles>
C1C(CNC1C(=O)O)O

> <pd_targets>
{SLC1A5}

> <pathway_gtopdb>
{Transporter}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{HYDROXYPROLI,4-hydroxyproline,4hydroxyproline,"4-hydroxypyrrolidine-2-carboxylic acid","4hydroxypyrrolidine2carboxylic acid",L-Hydroxyproline,LHydroxyproline,H-CIS-HYP-OH,HCISHYPOH,6912-67-0,6912670,
1-Hydroxy-L-proline,1HydroxyLproline,H-D-Hyp-OH,HDHypOH,CHEBI:20392,"Proline, 4-hydroxy-","Proline, 4hydroxy",MFCD00064319,cis-Hydroxyproline,cisHydroxyproline,"4-hydroxyproline zwitterion","4hydroxyp
roline zwitterion",L-Allohydroxyp,LAllohydroxyp,T4712,T2A2476,cis-4-Hydroxy-D-proline,L-Hydroxyprolin}

> <pdid>
PD051320

> <targets>
{"Endogenous Metabolite"}

> <classes>
{"Metabolic Enzyme/Protease"}

> <pubchem_cids>
{825}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  7  6  0  0  0  0            999 V2000
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    2.6000   -1.5000    0.0000 N   0  0
    5.1992    0.0004    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  2  6  1  0
  1  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12913

> <plate>
PLATE 025

> <well>
E3

> <supplier_cmpd_name>
cysteine

> <ctcr_id>
11348

> <supplier_cmpd_id>
T2O2721

> <smiles>
C(C(C(=O)O)N)S

> <pd_targets>
{SLC7A11,GOT1,GOT2,CARS1,CARS2,CPA1,FFP,MAPT,TDP1,LMNA}

> <pathway_gtopdb>
{Transporter,Enzyme,"Electrochemical transporter",Transferase,Ligase,"SLC superfamily of solute carriers","SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)","SLC07 Cationic amino
 acid transporter/glycoprotein-associated family","Other cytosolic protein",Protease,"Metallo protease","Metallo protease MC clan","Metallo protease M14A subfamily","Other nuclear protein",Hydrolase}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC3 and SLC7 families of heteromeric amino acid transporters (HATs)","SLC7 family",Enzymes,"Peptidases and proteinases","MC: Metallo (M) Peptidases
","M14: Carboxypeptidase A"}

> <pathway_reactome>
{"Transport of small molecules",Metabolism,"Metabolism of proteins","SLC-mediated transmembrane transport","Metabolism of amino acids and derivatives",Translation,"Transport of inorganic cations/anion
s and amino acids/oligopeptides","Sulfur amino acid metabolism","tRNA Aminoacylation","Amino acid transport across the plasma membrane","Methionine salvage pathway","Degradation of cysteine and homocy
steine","Cytosolic tRNA aminoacylation","Mitochondrial tRNA aminoacylation","Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission",
"Activation of NMDA receptors and postsynaptic events","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs","DNA Repair","Cell Cycle","DNA Double-Strand Break Repair",Mitot
ic,"Nonhomologous End-Joining (NHEJ)","M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CARS,CARS2,CBS,CDO-1,CDO1,CSAD,CTH,GCLC,GCLM,GOT1,GSS,MGMT,NFS1,SLC19A3}

> <broad_moa>
{}

> <synonyms>
{DL-Cysteine,DLCysteine,3374-22-9,3374229,cysteine,"2-Amino-3-mercaptopropanoic acid","2Amino3mercaptopropanoic acid",DL-Cystein,DLCystein,"2-amino-3-sulfanylpropanoic acid","2amino3sulfanylpropanoic 
acid","CYSTEINE, DL-","CYSTEINE, DL","cysteinyl radical",MFCD00004881,"2-Amino-3-mercaptopropionic acid","2Amino3mercaptopropionic acid","(+/-)-2-Amino-3-mercaptopropionic acid","(+/)2Amino3mercaptopr
opionic acid",H-Cys-OH,HCysOH,T2O2721}

> <pdid>
PD007726

> <targets>
{"Endogenous Metabolite"}

> <classes>
{"Metabolic Enzyme/Protease"}

> <pubchem_cids>
{594}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  5  4  0  0  0  0            999 V2000
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    3.8993    0.7496    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  1  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12914

> <plate>
PLATE 025

> <well>
E4

> <supplier_cmpd_name>
glycine

> <ctcr_id>
11349

> <supplier_cmpd_id>
T2O2728

> <smiles>
C(C(=O)O)N

> <pd_targets>
{G6PD,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,SLC6A9,GLRA1,OR51E2,GPRC6A,GCAT,ALAS1,ALAS2,GARS1,BAAT,GPR18,GSS,GLYAT,GLYATL2,GLYATL1,AGXT,GNMT,GATM}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,"Ion channel",Transporter,"Unclassified protein","Membrane receptor","Ligand-gated ion channel","Electrochemical transporter","Family C G protein-coupled receptor",Hydrolase,"Fa
mily A G protein-coupled receptor",Transferase,"Ionotropic glutamate receptor","SLC superfamily of solute carriers","Glycine receptor","NMDA receptor","SLC06 neurotransmitter transporter family"}

> <pathway_chembl>
{Transporters,"Ion channels",Receptors,Enzymes,"SLC superfamily of solute carriers","Ligand-gated ion channels","G protein-coupled receptors","L-Arginine turnover","SLC6 neurotransmitter transporter f
amily","Ionotropic glutamate receptors","Glycine receptors","Orphan and other 7TM receptors","Arginine:glycine amidinotransferase","Glycine transporter subfamily","Class C Orphans","Class A Orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","TP53 Regulates Metabolic Genes","Transport of small molecules
","Neuronal System","Signal Transduction",Metabolism,"Metabolism of proteins","SLC-mediated transmembrane transport","Transmission across Chemical Synapses","Signaling by GPCR","Metabolism of amino ac
ids and derivatives","Metabolism of lipids","Metabolism of porphyrins",Translation,"Biological oxidations","Transport of bile salts and organic acids","metal ions and amine compounds","Neurotransmitte
r receptors and postsynaptic signal transmission","GPCR downstream signalling","Threonine catabolism","Regulation of lipid metabolism by PPARalpha","Heme biosynthesis","tRNA Aminoacylation","Metabolis
m of steroids","Phase II - Conjugation of compounds","Glyoxylate metabolism and glycine degradation","Selenoamino acid metabolism","Creatine metabolism","Na+/Cl- dependent neurotransmitter transporter
s","Activation of NMDA receptors and postsynaptic events","G alpha (s) signalling events","G alpha (q) signalling events","PPARA activates gene expression","Cytosolic tRNA aminoacylation","Bile acid a
nd bile salt metabolism","G alpha (i) signalling events","Glutathione conjugation","Amino Acid conjugation","Metabolism of ingested SeMet",Sec,"MeSec into H2Se","Post NMDA receptor activation events",
"Olfactory Signaling Pathway","Synthesis of bile acids and bile salts","Glutathione synthesis and recycling","Conjugation of carboxylic acids","Assembly and cell surface presentation of NMDA receptors
","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Long-term potentiation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Conjugation of ben
zoate with glycine","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{AGXT,AGXT2,ALAS1,ALAS2,BAAT,GARS,GATM,GCAT,GCSH,GLDC,GLRA1,GLRA2,GLRA3,GLRB,GLYAT,GLYATL1,GLYATL2,GNMT,GPR18,GPRC6A,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3B,GSS,PIPOX,SHMT1,SHMT2,SLC32A1,SLC36A1,SLC6
A5,SLC6A9}

> <broad_moa>
{"glutamate receptor antagonist"}

> <synonyms>
{glycine,"2-Aminoacetic acid",56-40-6,"aminoacetic acid",Glycocoll,"Aminoethanoic acid",Glycolixir,Padil,Glycosthene,Aciport,Glicoamin,L-Glycine,H-Gly-OH,"Hampshire glycine",Amitone,Leimzucker,"Acetic
 acid, amino-",Aminoazijnzuur,"Glycine, non-medical","Sucre de gelatine",Gyn-hydralin,"GLY (IUPAC abbrev)",polyglycine,Glycinum,Corilin,"Glycinum (INN-Latin)","Glicina (INN-Spanish)","Glycine (INN)","
glycyl radical",Glyzin,"FEMA No. 3287",gly,"Acide aminoacetique (INN-French)","Acido aminoacetico (INN-Spanish)","Acidum aminoaceticum (INN-Latin)","CCRIS 5915","HSDB 495",AI3-04085,"amino-Acetic acid
",UNII-TE7660XO1C,MFCD00008131,"NSC 25936",(14C)glycine,CHEMBL773,"Glycine iron sulphate (1:1)",TE7660XO1C,25718-94-9,CHEBI:15428,2-aminoaceticacid,AZD-4282,NSC25936,Athenon,NSC-25936,NCGC00024503-01,
Glicina,DSSTox_CID_667,"Glycine, free base","Polyglycine II","Acido aminoacetico","Acide aminoacetique",DSSTox_RID_75720,DSSTox_GSID_20667,"Acidum aminoaceticum","Glycine, 99, ACS reagent","Glycine, 9
9+, for analysis",Glykokoll,Aminoessigsaeure,Hgly,CAS-56-40-6,"Glycine, labeled with carbon-14","Glycine (USP:INN)","GLYCINE 1.5 IN PLASTIC CONTAINER","EINECS 200-272-2",H2N-CH2-COOH,"AMINOACETIC ACID
 1.5 IN PLASTIC CONTAINER","Glycine, homopolymer (VAN)",Aminoethanoate,amino-Acetate,2-aminoacetate,Glycine;,"glycine USP","Glycine Technical",glycine-13c,(3H)glycine,"Glycine, EP/USP",H-Gly,L-Gly,Gly
-CO,Gly-OH,"L-Glycine,(S)",(14C)-glycine,"Corilin (Salt/Mix)",112898-03-0,"Glycine 1 M solution",PubChem18924,Tocris-0219,"Glycine (H-Gly-OH)",NH2CH2COOH,"Glycine, >=99","Glycine (JP17/USP)","Glycine,
 99, FCC","Glycine-1,2-13C2",Biomol-NT_000195,bmse000089,bmse000977,"WLN: Z1VQ","EC 200-272-2",H-(15N)Gly-OH,Gly-253,GTPL727,AB-131/40217813,"GLYCINE, (2-3H)","Glycine, Electrophoresis Grade",BPBio1_0
01222,GTPL4084,GTPL4635,N(C)C(O)=O,DTXSID9020667,BDBM18133,"Buffer Concentrate, pH 11.01",AZD4282,"Glycine, >=99.0 (NT)","Glycine, 98.5-101.5",Pharmakon1600-01300021,"2-Aminoacetic acid;Aminoacetic ac
id",BCP25965,CS-B1641,HY-Y0966,ZINC4658552,"Glycine, ACS reagent, >=98.5",Tox21_113575,2-amino-1-$l^(1)-oxidanylethanone,ANW-32505,"Glycine, 99, natural, FCC, FG",NSC760120,s4821,STL194276,"Glycine, p
urum, >=98.5 (NT)","Glycine, tested according to Ph.Eur.",AKOS000119626,"Glycine, for electrophoresis, >=99",Tox21_113575_1,AM81781,CCG-266010,DB00145,MCULE-2415764032,NSC-760120,"Glycine, BioUltra, >
=99.0 (NT)","Glycine, BioXtra, >=99 (titration)","Glycine, SAJ special grade, >=99.0",NCGC00024503-02,NCGC00024503-03,18875-39-3,AK-77854,BP-31024,"Glycine, Vetec(TM) reagent grade, 98","Glycine, 0.2M
 buffer solution, pH 2.5","Glycine, 0.2M buffer solution, pH 3.0","Glycine, 0.2M buffer solution, pH 3.5",DB-029870,FT-0600491,FT-0669038,G0099,G0317,"Glycine, ReagentPlus(R), >=99 (HPLC)",A20662,C000
37,D00011,M-6155,M03001,L001246,Q620730,SR-01000597729,"Glycine, certified reference material, TraceCERT(R)",Q-201300,SR-01000597729-1,Q27115084,B72BA06C-60E9-4A83-A24A-A2D7F465BB65,F2191-0197,"Glycin
e, European Pharmacopoeia (EP) Reference Standard",Z955123660,"Glycine, BioUltra, for molecular biology, >=99.0 (NT)","UNII-0O72R8RF8A component DHMQDGOQFOQNFH-UHFFFAOYSA-N","Glycine, United States Ph
armacopeia (USP) Reference Standard","Glycine, Pharmaceutical Secondary Standard; Certified Reference Material","Tris-tricine buffer; Tris-glycine buffer;Tris glycine buffer concentrate",21931-03-3,T2
O2728}

> <pdid>
PD007399

> <targets>
{"Endogenous Metabolite",iGluR}

> <classes>
{"Membrane Transporter/Ion Channel","Metabolic Enzyme/Protease",Neuroscience}

> <pubchem_cids>
{750}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  7  6  0  0  0  0            999 V2000
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    2.6000   -1.5000    0.0000 N   0  0
    5.1992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  2  6  1  0
  1  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12915

> <plate>
PLATE 025

> <well>
E5

> <supplier_cmpd_name>
serine

> <ctcr_id>
11350

> <supplier_cmpd_id>
T2O2730

> <smiles>
C(C(C(=O)O)N)O

> <pd_targets>
{LMNA,BLM,SLC7A10,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,CHRM1,CYP1A2,BCHE,LEF,FFP,KDM4E,GGT1,ACHE,SLC1A5,GPRC6A}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Unclassified protein","Ion channel","Ligand-gated ion channel","Ionotropic glutamate receptor","NMDA receptor","Membrane receptor","Epigenetic regulator",Transporter,"
Family A G protein-coupled receptor","Cytochrome P450",Hydrolase,Protease,Transferase,Eraser,"Family C G protein-coupled receptor","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1",
"Metallo protease","Lysine demethylase","Monoamine receptor","Cytochrome P450 family 1A","Metallo protease MAE clan","Jumonji domain-containing","Acetylcholine receptor","Cytochrome P450 1A1","Metallo
 protease M34 family"}

> <pathway_chembl>
{Transporters,"Ion channels","SLC superfamily of solute carriers","Ligand-gated ion channels","SLC3 and SLC7 families of heteromeric amino acid transporters (HATs)","Ionotropic glutamate receptors","S
LC7 family",Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Acetylcholine turnover","Chromatin modifying enzymes","Acetylcholine receptors (muscarinic)","CYP1 family","1.14.11.- His
tone demethylases","Orphan and other 7TM receptors","Class C Orphans"}

> <pathway_reactome>
{"Cell Cycle","DNA Repair","Transport of small molecules","Neuronal System",Mitotic,"DNA Double-Strand Break Repair","SLC-mediated transmembrane transport","Transmission across Chemical Synapses","M P
hase","Homology Directed Repair","Transport of inorganic cations/anions and amino acids/oligopeptides","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic Metaphase and Anaphase
","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Amino acid transport across the plasma membrane","Activation of NMDA receptors and postsynaptic events","Mitotic Anapha
se","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","CREB1 phosphorylation through N
MDA receptor-mediated activation of RAS signaling","Long-term potentiation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Ras act
ivation upon Ca2+ influx through NMDA receptor","Signal Transduction",Metabolism,Disease,"Signaling by GPCR","Biological oxidations","Metabolism of lipids","Infectious disease","GPCR ligand binding","
Phase I - Functionalization of compounds","Phospholipid metabolism","Uptake and actions of bacterial toxins","Leishmania infection","GPCR downstream signalling","Class A/1 (Rhodopsin-like receptors)",
"Cytochrome P450 - arranged by substrate type","Glycerophospholipid biosynthesis","Uptake and function of anthrax toxins","Leishmania parasite growth and survival","G alpha (q) signalling events","Ami
ne ligand-binding receptors",Xenobiotics,"Synthesis of PC","Anti-inflammatory response favouring Leishmania parasite infection","Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxyla
ted or N-dealkylated by CYP1A2","LTC4-CYSLTR mediated IL4 production"}

> <broad_targets>
{GLRA1,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,SERPINB3}

> <broad_moa>
{"glutamate receptor agonist"}

> <synonyms>
{DL-Serine,DLSerine,302-84-1,302841,"2-Amino-3-hydroxypropanoic acid","2Amino3hydroxypropanoic acid","Serine DL-form","Serine DLform",H-DL-Ser-OH,HDLSerOH,"SERINE, (L)","Serine, DL-","Serine, DL",H-D-
Ser-OH,HDSerOH,MFCD00064223,serin,3-Hydroxyalanine,3Hydroxyalanine,"2-Amino-3-hydroxy-propionic acid","2Amino3hydroxypropionic acid",6898-95-9,6898959,"(+/-)-2-Amino-3-hydroxypropionic acid","(+/)2Ami
no3hydroxypropionic acid",L-Seri,LSeri,T2O2730,serine}

> <pdid>
PD002617

> <targets>
{"Endogenous Metabolite"}

> <classes>
{"Metabolic Enzyme/Protease"}

> <pubchem_cids>
{617}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  0  0            999 V2000
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    2.6000   -1.5000    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.4992    0.7496    0.0000 O   0  0
    5.2000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  2  6  1  0
  1  7  1  0
  7  8  2  0
  7  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12916

> <plate>
PLATE 025

> <well>
E6

> <supplier_cmpd_name>
L-Aspartic acid

> <ctcr_id>
11351

> <supplier_cmpd_id>
T2O2731

> <smiles>
C(C(C(=O)O)N)C(=O)O

> <pd_targets>
{GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,FFP,LMNA,ALDH1A1,BLM,CYP1A2,SLC1A2,LEF,DAPA,SLC1A1,SLC1A6,SLC1A3,ASNS,PAICS,ADSS1,ADSS2,TSHR,NAHY,AMPC,PKD2L1}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other nuclear protein",Transporter,"Unclassified protein","Ligand-gated ion channel",Transferase,Oxidoreductase,"Cytochrome P450","Electrochemical transporter",Protease,Ligase,"
Ionotropic glutamate receptor","Cytochrome P450 family 1","SLC superfamily of solute carriers","Metallo protease","NMDA receptor","Cytochrome P450 family 1A","SLC01 family of amino acid transporters",
"Metallo protease MAE clan","Cytochrome P450 1A1","Metallo protease M34 family","Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Glycohormone receptor",Hyd
rolase}

> <pathway_chembl>
{"Ion channels",Enzymes,Transporters,"Ligand-gated ion channels","Cytochrome P450","SLC superfamily of solute carriers","Ionotropic glutamate receptors","CYP1 family","SLC1 family of amino acid transp
orters","Glutamate transporter subfamily",Receptors,"G protein-coupled receptors","Glycoprotein hormone receptors","Voltage-gated ion channels","Transient Receptor Potential channels"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System",Metabolism,"DNA Repair",Disease,"Metabolism of proteins",Mitotic,"Transmission across Chemical Synapses","Biological oxidations","DNA Double-Strand Break Repair","Infec
tious disease","Disorders of transmembrane transporters","Unfolded Protein Response (UPR)","Metabolism of nucleotides","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Phas
e I - Functionalization of compounds","Homology Directed Repair","Neurotransmitter release cycle","Uptake and actions of bacterial toxins","SLC transporter disorders","PERK regulates gene expression",
"Nucleobase biosynthesis","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annea
ling (SSA)","Cytochrome P450 - arranged by substrate type","Glutamate Neurotransmitter Release Cycle","Uptake and function of anthrax toxins","Defective SLC1A1 is implicated in schizophrenia 18 (SCZD1
8) and dicarboxylic aminoaciduria (DCBXA)","Defective SLC1A3 causes episodic ataxia 6 (EA6)","ATF4 activates genes in response to endoplasmic reticulum  stress","Purine ribonucleoside monophosphate bi
osynthesis","Mitotic Anaphase","Post NMDA receptor activation events","HDR through Homologous Recombination (HRR)",Xenobiotics,"Nuclear Envelope (NE) Reassembly","CREB1 phosphorylation through NMDA re
ceptor-mediated activation of RAS signaling","Homologous DNA Pairing and Strand Exchange","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Long-term potentiation","Initiation of Nuc
lear Envelope (NE) Reformation","Ras activation upon Ca2+ influx through NMDA receptor","Presynaptic phase of homologous DNA pairing and strand exchange","Leishmania infection","Leishmania parasite gr
owth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{PKD2L1}

> <broad_moa>
{}

> <synonyms>
{"ASPARTIC ACI","DL-ASPARTIC ACID","DLASPARTIC ACID",617-45-8,617458,"2-aminobutanedioic acid","2aminobutanedioic acid","DL-Aminosuccinic acid","DLAminosuccinic acid","DL-Asparagic acid","DLAsparagic 
acid","Aspartic acid, DL-","Aspartic acid, DL",DL-Asp-OH,DLAspOH,"2-aminosuccinic acid","2aminosuccinic acid","(+-)-Aspartic acid","(+)Aspartic acid","(R,S)-Aspartic acid","(R,S)Aspartic acid",H-DL-As
p-OH,HDLAspOH,"Aminosuccinic acid",MFCD00063,T2S0850,T4885,T4838,T2O2731,"Malic acid","D-Aspartic acid","L-(-)-Malic acid","L-Aspartic acid"}

> <pdid>
PD002813

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{424}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  9  0  0  0  0            999 V2000
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 O   0  0
    6.5000    2.2500    0.0000 O   0  0
    5.2000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  1  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12917

> <plate>
PLATE 025

> <well>
E7

> <supplier_cmpd_name>
glutamic acid

> <ctcr_id>
11352

> <supplier_cmpd_id>
T2A2497

> <smiles>
C(CC(=O)O)C(C(=O)O)N

> <pd_targets>
{FFP,CYP3A4,GRIN1,MURI,GRM5,GRM2,GRM6,GRIK2,GRIK1,GRIK3,GRM1,GRM3,GRM4,GRIK4,GRIK5,GRIA2,GRM8,GRIA4,PKM,LEF,CYP1A2,GRIA1,CHRM1,TGR,NFO,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,GRIA3,GSR,ADORA3,SLC1A2
,SLC1A1,GRM7,SLC1A6,SLC1A3,GCLC,GLUD2,GIG18,GPT2,KDM4A,KDM4C,KDM2A}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor",Transferase,"Cytochrome P450","Ligand-gated ion channel",Isomerase,"Family C G protein-coupled receptor",Protease,"Family A G protein-coupled receptor","Cytoc
hrome P450 family 3","Ionotropic glutamate receptor","Small molecule receptor (family C GPCR)","Metallo protease","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 
family 3A","NMDA receptor","Neurotransmitter receptor (family C GPCR)","Kainate receptor","AMPA receptor","Metallo protease MAE clan","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 
3A4","Metabotropic glutamate receptor","Metallo protease M34 family","Cytochrome P450 1A1","Acetylcholine receptor",Transporter,Hydrolase,Oxidoreductase,"Electrochemical transporter",Ligase,"SLC super
family of solute carriers","Nucleotide-like receptor (family A GPCR)","SLC01 family of amino acid transporters","Adenosine receptor","Epigenetic regulator",Eraser,"Lysine demethylase","Jumonji domain-
containing"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Cytochrome P450","Ligand-gated ion channels","G protein-coupled receptors","2.7.1.40 Pyruvate kinases","CYP3 family","Ionotropic glutamate receptors","Metabotropic g
lutamate receptors","CYP1 family","Acetylcholine receptors (muscarinic)",Transporters,"1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","Adenosine receptors","SLC1 family of amino acid tr
ansporters","Glutamate transporter subfamily","Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Signal Transduction",Disease,"Metabolism of proteins","Metabolism of lipids","Transmission across Chemical Synapses","Signaling by GPCR","Metabolism of carbohydrates","I
nfectious disease","Biological oxidations","Post-translational protein modification","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal tra
nsmission","GPCR downstream signalling","Glucose metabolism","Uptake and actions of bacterial toxins","Phase I - Functionalization of compounds","Asparagine N-linked glycosylation","GPCR ligand bindin
g","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","G alpha (q) signalling events","G alpha (i) signalling events","Activation of kainate receptors upon gluta
mate binding","Glutamate binding","activation of AMPA receptors and synaptic plasticity",Glycolysis,"Uptake and function of anthrax toxins","Cytochrome P450 - arranged by substrate type","Transport to
 the Golgi and subsequent modification","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of maresins","Post NMDA receptor activation events","Ionotropic activity of kainate receptors","Trafficking
 of AMPA receptors",Xenobiotics,"ER to Golgi Anterograde Transport","Amine ligand-binding receptors","Biosynthesis of maresin-like SPMs","CREB1 phosphorylation through NMDA receptor-mediated activatio
n of RAS signaling","Activation of Ca-permeable Kainate Receptor","Long-term potentiation","Trafficking of GluR2-containing AMPA receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by C
YP1A2","Cargo concentration in the ER","Muscarinic acetylcholine receptors","Ras activation upon Ca2+ influx through NMDA receptor","Gene expression (Transcription)","RNA Polymerase II Transcription",
"Disorders of transmembrane transporters","Metabolism of amino acids and derivatives","Generic Transcription Pathway","Neurotransmitter release cycle","SLC transporter disorders","Phase II - Conjugati
on of compounds","Glutamate and glutamine metabolism","Alanine metabolism","Transcriptional Regulation by TP53","Glutamate Neurotransmitter Release Cycle","Defective SLC1A1 is implicated in schizophre
nia 18 (SCZD18) and dicarboxylic aminoaciduria (DCBXA)","Defective SLC1A3 causes episodic ataxia 6 (EA6)","Glutathione conjugation","TP53 Regulates Metabolic Genes","Nucleotide-like (purinergic) recep
tors","Glutathione synthesis and recycling","Adenosine P1 receptors","DNA Repair","Chromatin organization","DNA Double-Strand Break Repair","Signaling by Rho GTPases","Chromatin modifying enzymes","DN
A Double Strand Break Response","RHO GTPase Effectors","HDMs demethylate histones","Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks","RHO GTPa
ses activate PKNs","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3"}

> <broad_targets>
{AADAT,AASS,ABAT,ALDH18A1,ASNS,BCAT1,BCAT2,CCBL2,DNPEP,EARS2,ENPEP,EPRS,FOLH1,FPGS,FTCD,GAD1,GAD2,GATB,GCLC,GCLM,GGCX,GLS,GLS2,GLUD1,GLUD2,GLUL,GMPS,GOT1,GOT2,GPT,GPT2,GRIA1,GRIA2,GRIA3,GRIA4,GRID1,GR
ID2,GRIK1,GRIK2,GRIK3,GRIK4,GRIK5,GRIN1,GRIN2A,GRIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,GRM1,GRM2,GRM3,GRM4,GRM6,GRM7,GRM8,LGSN,NADSYN1,NAGS,OPLAH,PFAS,PGCP,PSAT1,SLC1A1,SLC1A2,SLC1A3,SLC1A6,SLC1A7,SLC25A18
,SLC25A22,SLC7A11,TAT}

> <broad_moa>
{"glutamate receptor agonist"}

> <synonyms>
{"DL-Glutamic acid","DLGlutamic acid",617-65-2,617652,"2-aminopentanedioic acid","2aminopentanedioic acid","GLUTAMIC ACID","Glutamic acid, DL-","Glutamic acid, DL","Glutamic acid DL-form","Glutamic ac
id DLform",H-DL-Glu-OH,HDLGluOH,DL-Glu,DLGlu,"NSC 9967",Glutaminsaeure,H-DL-Glu-OH.H2O,HDLGluOH.H2O,glutamate,MFCD00063113,Glutaminol,"poly(glutamic acid)",2-Ami,2Ami,T2A2497,"glutamic acid"}

> <pdid>
PD007903

> <targets>
{"Endogenous Metabolite"}

> <classes>
{"Metabolic Enzyme/Protease"}

> <pubchem_cids>
{611}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  9  0  0  0  0            999 V2000
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0992    0.7496    0.0000 O   0  0
    7.7999   -1.5000    0.0000 O   0  0
    6.5000    2.2500    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  1  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12918

> <plate>
PLATE 025

> <well>
E8

> <supplier_cmpd_name>
lysine

> <ctcr_id>
11353

> <supplier_cmpd_id>
T2A2498

> <smiles>
C(CCN)CC(C(=O)O)N

> <pd_targets>
{GSR,GPRC6A,LMNA}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Oxidoreductase,"Family C G protein-coupled receptor","Other nuclear protein"}

> <pathway_chembl>
{Enzymes,Receptors,"1.-.-.- Oxidoreductases","G protein-coupled receptors","Orphan and other 7TM receptors","Class C Orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","RNA Polymerase II Transcription","Signaling by GPCR","Generic Transcription Pathway","GPCR downstream signalling","Transcriptional Regulation 
by TP53","G alpha (q) signalling events","TP53 Regulates Metabolic Genes","Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiat
ion of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{GPRC6A,KARS,SLC7A1,SLC7A2,SLC7A3,SLC7A4}

> <broad_moa>
{"serotonin receptor agonist"}

> <synonyms>
{DL-Lysine,DLLysine,70-54-2,70542,"2,6-diaminohexanoic acid","2,6diaminohexanoic acid",H-DL-Lys-OH,HDLLysOH,"Lysine, DL-","Lysine, DL",CHEBI:25094,"L-Lysine base","LLysine base",MFCD00064432,"Lysine m
onohydrochloride",Poly-D-lysine,PolyDlysine,Poly-L-lysine,PolyLlysine,"Lysine #",(RS)-Lysine,(RS)Lysine,(+-)-Lysine,(+)Lysine,"4,4,5,5-tetradeuterolysine","4,4,5,5tetradeuterolysine",endolysin,polylys
,T2A2498,lysine}

> <pdid>
PD006188

> <targets>
{"herpes simplex virus"}

> <classes>
{Microbiology&virology}

> <pubchem_cids>
{866}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 13  0  0  0  0            999 V2000
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    2.6000   -1.5000    0.0000 N   0  0
    5.2000    0.0000    0.0000 S   0  0
    6.5000    0.7500    0.0000 S   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6992    0.7496    0.0000 O   0  0
   10.3999   -1.5000    0.0000 O   0  0
    9.0999    2.2500    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  2  6  1  0
  1  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12919

> <plate>
PLATE 025

> <well>
E9

> <supplier_cmpd_name>
cystine

> <ctcr_id>
11354

> <supplier_cmpd_id>
T2O2733

> <smiles>
C(C(C(=O)O)N)SSCC(C(=O)O)N

> <pd_targets>
{RORC}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{CTNS,SLC3A1,SLC7A11,SLC7A9}

> <broad_moa>
{}

> <synonyms>
{DL-CYSTINE,DLCYSTINE,cystine,923-32-0,923320,"3,3'-disulfanediylbis(2-aminopropanoic acid)","3,3'disulfanediylbis(2aminopropanoic acid)",Dicysteine,"Cystine acid",Cystin,"Cysteine disulfide",(H-Cys-O
H),(HCysOH),"Cystine, L-","Cystine, L",NSC13203,"2-amino-3-((2-amino-2-carboxyethyl)disulfanyl)propanoic acid","2amino3((2amino2carboxyethyl)disulfanyl)propanoic acid",MFCD00084652,(-)-Cyst,()Cyst,T2O
2733}

> <pdid>
PD010209

> <targets>
{Antioxidant}

> <classes>
{oxidation-reduction}

> <pubchem_cids>
{595}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 19  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 C   0  0
   22.0998    0.7500    0.0000 C   0  0
   23.3991    0.0004    0.0000 O   0  0
   22.0998    2.2500    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12920

> <plate>
PLATE 025

> <well>
E10

> <supplier_cmpd_name>
Stearic acid

> <ctcr_id>
11355

> <supplier_cmpd_id>
T2P2923

> <smiles>
CCCCCCCCCCCCCCCCCC(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"stearic acid","Octadecanoic acid",57-11-4,57114,"Stearophanic acid","n-Octadecanoic acid","nOctadecanoic acid","Cetylacetic acid","Pearl stearic","Stearex Beads",Octadecansaeure,Stearinsaeure,Vanico
l,"1-Heptadecanecarboxylic acid","1Heptadecanecarboxylic acid","Century 1240","Industrene R",Glyc,T3379,T4775,T3949,T2P2923,T4855,T2908,T6873,T4903,T3946,T3947,T3945,"Decanoic Acid","Arachidic acid","
Myristic acid","Stearic acid","Tricosanoic acid","Palmitic acid","Lauric Acid","Heptadecanoic acid","Caprylic acid","Nonanoic acid","Heptanoic acid"}

> <pdid>
PD156167

> <targets>
{"Tyrosine Phosphatase 1B"}

> <classes>
{Proteases/Proteasome}

> <pubchem_cids>
{5281}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 O   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -2.6030    2.9977    0.0000 O   0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12921

> <plate>
PLATE 025

> <well>
E11

> <supplier_cmpd_name>
Mandelic acid

> <ctcr_id>
11356

> <supplier_cmpd_id>
T2S0122

> <smiles>
C1=CC=C(C=C1)C(C(=O)O)O

> <pd_targets>
{AMPC,LMNA}

> <pathway_gtopdb>
{Enzyme,Hydrolase,"Other nuclear protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"MANDELIC ACID","dl-Mandelic acid","dlMandelic acid","2-hydroxy-2-phenylacetic acid","2hydroxy2phenylacetic acid",90-64-2,90642,"Phenylglycolic acid",611-72-3,611723,"Amygdalic acid","Almond acid",Ur
omaline,"p-Mandelic acid","pMandelic acid","Racemic mandelic acid","Paramandelic acid","(RS)-Mandelic acid","(RS)Mandelic acid",2-Phenyl,2Phenyl,T2S0122,T4848,"Mandelic acid","DL-Mandelic acid"}

> <pdid>
PD007056

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{1292}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.4992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12922

> <plate>
PLATE 025

> <well>
F2

> <supplier_cmpd_name>
L-Leucine

> <ctcr_id>
7979

> <supplier_cmpd_id>
T3O2749

> <smiles>
CC(C)CC(N)C(O)=O

> <pd_targets>
{SLC7A5,LMNA}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)","SLC07 Cationic amino acid transporter/glycopro
tein-associated family","Other nuclear protein"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC3 and SLC7 families of heteromeric amino acid transporters (HATs)","SLC7 family"}

> <pathway_reactome>
{"Transport of small molecules","SLC-mediated transmembrane transport","Transport of inorganic cations/anions and amino acids/oligopeptides","Amino acid transport across the plasma membrane","Cell Cyc
le",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{BCAT1,BCAT2,LARS,LARS2,LCMT1,LCMT2}

> <broad_moa>
{}

> <synonyms>
{DL-Leucine,DLLeucine,328-39-2,328392,H-DL-Leu-OH,HDLLeuOH,"2-Amino-4-methylpentanoic acid","2Amino4methylpentanoic acid","Leucine, DL-","Leucine, DL",(RS)-Leucine,(RS)Leucine,(+-)-Leucine,(+)Leucine,
MFCD00063087,(+/-)-Leucine,(+/)Leucine,NSC46709,CHEBI:25017,L-Leucine-d10,LLeucined10,"DL-Leucine, 99+","DLLeucine, 99+",DL-LEUCINE-2-D1,DLLEUCINE2D1,25322-63-8,25322638,L-Leucine-15N,LLeucine15N,D-Le
ucine-2-d1,DLeucine2d1,DL-,DL,T3O2749,T4772,L-Leucine}

> <pdid>
PD008452

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5255803,857}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  9  8  0  0  0  0            999 V2000
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    2.6000   -1.5000    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.4992    0.7496    0.0000 O   0  0
    5.2000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  2  6  1  0
  1  7  1  0
  7  8  2  0
  7  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12923

> <plate>
PLATE 025

> <well>
F3

> <supplier_cmpd_name>
L-Asparagine

> <ctcr_id>
11357

> <supplier_cmpd_id>
T2O2774

> <smiles>
C(C(C(=O)O)N)C(=O)N

> <pd_targets>
{FFP,THRB,KDM4E,ALDH1A1,SLC1A5,ASRGL1,SLC38A1,SLC38A2,SLC38A3,SLC38A4}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator",Transferase,"Nuclear receptor",Eraser,Oxidoreductase,"Nuclear hormone receptor subfamily 1","Lysine demethylase","Nuclear hormone receptor subfami
ly 1 group A","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group A member 2",Transporter}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Chromatin modifying enzymes","1A. Thyroid hormone receptors","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Post-translational protein modification","Biological oxidations",SUMOylation,"Phase I - Functionalization of compounds","SUMO E3 ligases SUMOylate target proteins
","Ethanol oxidation","SUMOylation of intracellular receptors","Metabolism of amino acids and derivatives","Phenylalanine and tyrosine metabolism","Phenylalanine metabolism"}

> <broad_targets>
{GRM1,GRM5,GSR,HMGCS2,PAPOLA,PRDX2}

> <broad_moa>
{"glutamate receptor agonist"}

> <synonyms>
{3130-87-8,"Asparagine, DL-","2,4-diamino-4-oxobutanoic acid","H-Asn-OH HO","2-amino-3-carbamoylpropanoic acid",7006-34-0,NSC7891,"(-)-Asparagine; Asn; Asparamide",NSC82391,"WLN: ZV1YZVQ",H-DL-Asn-OH,
"Asparagine #",asparagin,L-(+)-Asparagine,L-.beta.-Asparagine,asparagina,Hasp,DL-Aspartamine,MFCD00008036,(+-)-Asparagine,L-Asparagine-15N2,"ASPARAGINE, DL",PubChem15167,"2-amino-succinamic acid","ASP
ARAGINE, (L)",H-DL-Asn-OH?2O,"H-D-Asn-OH . HO","DL-Aspartic acid 4-amide","(S)-2,4-diamino-4-oxobutanoic acid hydrate",SCHEMBL2308617,CHEBI:22653,DTXSID30859927,"2-amino-3-carbamoyl-propanoic acid","N
SC 7891",NSC-7891,"EINECS 221-521-1",7254AF,MFCD00064400,NSC-82391,NSC206243,STL277093,AKOS000120782,AKOS016050525,MCULE-1395307434,NE11128,"NSC 206243",NSC-206243,VC30809,AK143332,"Butanoic acid,4-di
amino-4-oxo-, (S)-",LS-12998,SY008178,SY014875,DB-020547,A0541,FT-0602581,FT-0627706,2489-EP2270018A1,2489-EP2277867A2,2489-EP2277880A1,2489-EP2280003A2,2489-EP2284178A2,2489-EP2284179A2,2489-EP228715
5A1,2489-EP2287167A1,2489-EP2289892A1,2489-EP2292088A1,2489-EP2292610A1,2489-EP2295055A2,2489-EP2295410A1,2489-EP2295550A2,2489-EP2298780A1,2489-EP2301939A1,2489-EP2305689A1,2489-EP2305808A1,2489-EP23
08828A2,2489-EP2308960A1,2489-EP2311453A1,2489-EP2316470A2,2490-EP2272972A1,2490-EP2272973A1,2490-EP2275413A1,2490-EP2277872A1,2490-EP2287156A1,A15665,C16438,AB00443949-02,130A878,4-(3-NITROANILINO)-4
-OXOBUT-2-ENOICACID,Q185906,SR-01000944855,SR-01000944855-1,Z278101788,B62F87A0-7AA2-4B41-8F86-34B7856972AA,T2O2774,L-Asparagine}

> <pdid>
PD002778

> <targets>
{"Endogenous Metabolite"}

> <classes>
{"Metabolic Enzyme/Protease"}

> <pubchem_cids>
{236}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
    2.6375    0.8603    0.0000 C   0  0
    2.9474    2.3287    0.0000 C   0  0
    4.3738    2.7955    0.0000 C   0  0
    4.6835    4.2632    0.0000 O   0  0
    5.4903    1.7938    0.0000 O   0  0
    1.8309    3.3305    0.0000 N   0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  1  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12924

> <plate>
PLATE 025

> <well>
F4

> <supplier_cmpd_name>
histidine

> <ctcr_id>
11358

> <supplier_cmpd_id>
T2A2532

> <smiles>
C1=C(NC=N1)CC(C(=O)O)N

> <pd_targets>
{CYP3A4,BLM,FFP,KDM4E,SLC7A5,CA1,CA5A,CA7,CA14,SLC15A3,SLC15A4}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transporter,"Cytochrome P450",Protease,Transferase,Eraser,"Electrochemical transporter",Lyase,"Cytochrome P450 family 3","Cysteine protease","Lysine demethylase","SLC su
perfamily of solute carriers","Cytochrome P450 family 3A","Cysteine protease CA clan","Jumonji domain-containing","SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)","Cytochrome P
450 3A4","Cysteine protease C1A family","SLC07 Cationic amino acid transporter/glycoprotein-associated family"}

> <pathway_chembl>
{Enzymes,Transporters,"Cytochrome P450","Chromatin modifying enzymes","SLC superfamily of solute carriers","Carbonic anhydrases","CYP3 family","1.14.11.- Histone demethylases","SLC3 and SLC7 families 
of heteromeric amino acid transporters (HATs)","SLC15 family of peptide transporters","SLC7 family"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Transport of small molecules","Immune System","Metabolism of lipids","DNA Double-Strand Break Repair","SLC-mediated transmembrane transport","Cytokine Signaling in Immune sys
tem","Reversible hydration of carbon dioxide","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Transport of inorganic cations/anions and amino acids/oligopeptide
s","Signaling by Interleukins","Biosynthesis of DHA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Amino acid transport across the plasma membrane","Inter
leukin-12 family signaling","Proton/oligopeptide cotransporters","Biosynthesis of maresins","HDR through Homologous Recombination (HRR)","Interleukin-12 signaling","Biosynthesis of maresin-like SPMs",
"Homologous DNA Pairing and Strand Exchange","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{SLC15A3,SLC15A4,SLC38A5}

> <broad_moa>
{}

> <synonyms>
{DL-HISTIDINE,DLHISTIDINE,4998-57-6,4998576,"2-amino-3-(1H-imidazol-4-yl)propanoic acid","2amino3(1Himidazol4yl)propanoic acid",H-DL-His-OH,HDLHisOH,"2-amino-3-(1H-imidazol-5-yl)propanoic acid","2amin
o3(1Himidazol5yl)propanoic acid","Histidine, DL-","Histidine, DL",MFCD00005208,"alpha-Amino-1H-imidazole-4-propionic acid","alphaAmino1Himidazole4propionic acid","2-amino-3-(3H-imidazol-4-yl)propanoic
 acid","2amino3(3Himidazol4yl)propanoic acid",T2A2532,T4826,histidine,"L-Histidine monohydrochloride monohydrat"}

> <pdid>
PD010235

> <targets>
{"Mitochondrial Metabolism"}

> <classes>
{"Metabolic Enzyme/Protease"}

> <pubchem_cids>
{773}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  7  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.1992    0.0004    0.0000 O   0  0
    3.9000    2.2500    0.0000 O   0  0
    2.6000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  4  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12925

> <plate>
PLATE 025

> <well>
F5

> <supplier_cmpd_name>
L-Valine

> <ctcr_id>
11359

> <supplier_cmpd_id>
T2O2776

> <smiles>
CC(C)C(C(=O)O)N

> <pd_targets>
{SLC7A5,LMNA,FFP}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)","SLC07 Cationic amino acid transporter/glycopro
tein-associated family","Other nuclear protein",Enzyme,Transferase}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC3 and SLC7 families of heteromeric amino acid transporters (HATs)","SLC7 family"}

> <pathway_reactome>
{"Transport of small molecules","SLC-mediated transmembrane transport","Transport of inorganic cations/anions and amino acids/oligopeptides","Amino acid transport across the plasma membrane","Cell Cyc
le",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{VALIN,DL-Valine,DLValine,516-06-3,516063,"2-Amino-3-methylbutanoic acid","2Amino3methylbutanoic acid",H-DL-Val-OH,HDLValOH,"Valine, DL-","Valine, DL","DL-2-Amino-3-methylbutanoic acid","DL2Amino3meth
ylbutanoic acid","NSC 9755",MFCD00004267,"2-Amino-3-methylbutanoic acid, DL-","2Amino3methylbutanoic acid, DL","DL-2-Aminoisovaleric Acid","DL2Aminoisovaleric Acid",valina,"DL-.alpha.-Aminoisovaleric 
acid","DL.alpha.Aminoisovaleric acid",CHEB,T2O2776,L-Valine}

> <pdid>
PD010194

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{1182}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 12 11  0  0  0  0            999 V2000
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    2.6000   -1.5000    0.0000 N   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 N   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3992    0.0004    0.0000 N   0  0
    9.0999    2.2500    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  1  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12926

> <plate>
PLATE 025

> <well>
F6

> <supplier_cmpd_name>
L-Arginine

> <ctcr_id>
11360

> <supplier_cmpd_id>
T3S0364

> <smiles>
C(CC(C(=O)O)N)CN=C(N)N

> <pd_targets>
{KMT2A,MEN1,FFP}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Transferase,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ARGININ,DL-Arginine,DLArginine,7200-25-1,7200251,arginin,H-DL-Arg-OH,HDLArgOH,"2-amino-5-guanidinopentanoic acid","2amino5guanidinopentanoic acid",MFCD00063117,"2-amino-5-carbamimidamidopentanoic aci
d","2amino5carbamimidamidopentanoic acid",7004-12-8,7004128,UNII-FL26NTK3EP,UNIIFL26NTK3EP,D(-)-Arginine,D()Arginine,"DL-2-Amino-5-guanidinopentanoic acid","DL2Amino5guanidinopentanoic acid","DL-Argin
ine, free base","DLArginine, free base",FL26NTK,T3S0364,L-Arginine}

> <pdid>
PD050607

> <targets>
{IL-2}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{232}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 12  0  0  0  0            999 V2000
    5.0987    0.0000    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12  3  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12927

> <plate>
PLATE 025

> <well>
F7

> <supplier_cmpd_name>
Vitamin B6

> <ctcr_id>
152

> <supplier_cmpd_id>
T3O2784

> <smiles>
Cl.Cc1ncc(CO)c(CO)c1O

> <pd_targets>
{HPGD,HSD17B10,KDM4E,ALDH1A1,LMNA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Oxidoreductase,Eraser,"Lysine demethylase","Jumonji domain-containing","Other nuclear protein"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Chromatin modifying enzymes","Prostaglandin synthases","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of amino acids and derivatives","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism
","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Biosynthesis of D-series resolvins","Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase"
,"Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{DDC,PDXK}

> <broad_moa>
{"vitamin B"}

> <synonyms>
{"PYRIDOXINE HYDROCHLORIDE",58-56-0,58560,"Pyridoxine HCl","Pyridoxol hydrochloride","vitamin B6",Alestrol,Becilan,Benadon,Hexavibex,Hexermin,Hexobion,Pyridipca,Beesix,Pydox,"Adermine hydrochloride","
Campoviton 6","Pyridoxine chloride",T0973L,T4754,S3113,Prestw-623,"Pyridoxine hydrochloride","Pyridoxamine dihydrochloride","Pyridoxine HCl"}

> <pdid>
PD010192

> <targets>
{Vitamin}

> <classes>
{}

> <pubchem_cids>
{6019,51064122,88396073,517312}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    3.8926   -3.7566    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2526    1.3618    0.0000 S   0  0
   -6.2524    0.2436    0.0000 C   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12928

> <plate>
PLATE 025

> <well>
F8

> <supplier_cmpd_name>
Suprofen

> <ctcr_id>
171

> <supplier_cmpd_id>
T6687

> <smiles>
CC(C(O)=O)c1ccc(cc1)C(=O)c2sccc2

> <pd_targets>
{CYP2C9,AMPC,PTGS2,RXFP1,KDM4E,ALDH1A1,PTGS1,IMPA1,HPGD,LMNA,LEF}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Other nuclear protein","Cytochrome P450",Hydrolase,Oxidoreductase,"Family A G protein-coupled receptor",Eraser,Protease,"Cytochrome P450 family 2","
Peptide receptor (family A GPCR)","Lysine demethylase","Metallo protease","Cytochrome P450 family 2C","Relaxin-like peptide receptor (family A GPCR)","Jumonji domain-containing","Metallo protease MAE 
clan","Cytochrome P450 2C9","Relaxin receptor","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Eicosanoid turnover","G protein-coupled receptors","Chromatin modifying enzymes","Inositol phosphate turnover","CYP2 family: drug metabolising subset",Cyclooxygen
ase,"Relaxin family peptide receptors","1.14.11.- Histone demethylases","Inositol monophosphatase","Prostaglandin synthases"}

> <pathway_reactome>
{Metabolism,Disease,"Cell Cycle","Biological oxidations","Metabolism of lipids","Infectious disease","Inositol phosphate metabolism",Mitotic,"Phase I - Functionalization of compounds","Biosynthesis of
 specialized proresolving mediators (SPMs)","Leishmania infection","Fatty acid metabolism","Synthesis of IP2",IP,"and Ins in the cytosol","M Phase","Uptake and actions of bacterial toxins","Cytochrome
 P450 - arranged by substrate type","Biosynthesis of DPA-derived SPMs","Leishmania parasite growth and survival","Ethanol oxidation","Arachidonic acid metabolism","Biosynthesis of DHA-derived SPMs","M
itotic Metaphase and Anaphase","Uptake and function of anthrax toxins",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of Pros
taglandins (PG) and Thromboxanes (TX)","Biosynthesis of D-series resolvins","Mitotic Anaphase","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reass
embly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{suprofen,40828-46-4,40828464,Profenal,Sutoprofen,Maldocil,Suprol,Masterfen,"p-2-Thenoylhydratropic acid","p2Thenoylhydratropic acid",Suprofenum,Suprofene,Suprocil,"Suprofene (INN-French)","Suprofene 
(INNFrench)","Suprofenum (INN-Latin)","Suprofenum (INNLatin)",4-(2-Thenoyl)hydratropsaeure,4(2Thenoyl)hydratropsaeure,Topalgic,2-(4-(thiophene-2-carbonyl)phen,2(4(thiophene2carbonyl)phen,T6687,S1761,1
501161,Prestw-816,Suprofen,Suprofen,SUPROFEN}

> <pdid>
PD009675

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{5359}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 15  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  3
    1.3000    2.2500    0.0000 C   0  0
    0.0011    1.5002    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 O   0  0
    6.5000    0.7500    0.0000 P   0  0
    6.5000    2.2500    0.0000 O   0  0
    5.2010    1.5002    0.0000 O   0  5
    7.7999    0.0000    0.0000 O   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0  1  0  0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9992    0.0004    0.0000 O   0  0
   10.3999   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  1
M  CHG  2   2   1  10  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12929

> <plate>
PLATE 025

> <well>
F9

> <supplier_cmpd_name>
Glycerophosphocholine

> <ctcr_id>
11361

> <supplier_cmpd_id>
T4439

> <smiles>
C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O

> <pd_targets>
{AMPC}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Choline Alfoscerate",SN-glycero-3-phosphocholine,SNglycero3phosphocholine,28319-77-9,28319779,"Choline glycerophosphate",Glycerophosphocholine,Glycerophosphorylcholine,"Choline Alphoscerate",L-alpha
-Glycerophosphorylcholine,LalphaGlycerophosphorylcholine,L-alpha-Glycerophosphocholine,LalphaGlycerophosphocholine,"Cholini gly",T4439}

> <pdid>
PD012340

> <targets>
{AChE,Endogenous Metabolite}

> <classes>
{Neuroscience,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{657272}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 21  0  0  1  0            999 V2000
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 N   0  0
    3.1884   -2.6408    0.0000 C   0  0  2  0  0  0
    4.6405   -2.9668    0.0000 O   0  0
    4.7578   -4.4622    0.0000 C   0  0  1  0  0  0
    3.3718   -5.0359    0.0000 C   0  0  2  0  0  0
    2.3980   -3.8950    0.0000 C   0  0  1  0  0  0
    0.9019   -4.0031    0.0000 O   0  0
    3.0213   -6.4943    0.0000 O   0  0
    6.0367   -5.2427    0.0000 C   0  0
    7.3541   -4.5254    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  2  1  0
  6 10  1  0
 11  1  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
 15 16  1  1
 14 17  1  1
 13 18  1  6
 18 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12930

> <plate>
PLATE 025

> <well>
F10

> <supplier_cmpd_name>
Tubercidin

> <ctcr_id>
11362

> <supplier_cmpd_id>
T7004

> <smiles>
n1(c2c(cc1)c(ncn2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO

> <pd_targets>
{RORC,HSPA8,ADK,HSF1,PDCD4}

> <pathway_gtopdb>
{"Transcription factor","Other cytosolic protein",Enzyme,"Unclassified protein","Nuclear receptor",Transferase,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nu
clear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Other protein targets",Enzymes,"Nuclear hormone receptors","Heat shock proteins","Adenosine turnover","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cellular responses to external stimuli",Metabolism,"Immune System","RNA Polymerase II Transcription","Cellular responses to stress","Metabolism of nucleotides","Cyt
okine Signaling in Immune system","Generic Transcription Pathway","Cellular response to heat stress","Nucleotide salvage","Signaling by Interleukins","Transcriptional regulation by RUNX3","HSF1-depend
ent transactivation","Purine salvage","Interleukin-12 family signaling","RUNX3 Regulates Immune Response and Cell Migration","Attenuation phase","Interleukin-12 signaling","Gene and protein expression
 by JAK-STAT signaling after Interleukin-12 stimulation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{tubercidin,7-Deazaadenosine,7Deazaadenosine,69-33-0,69330,"Sparsomycin A",Tubercidine,UNII-M351LCX45Y,UNIIM351LCX45Y,7-deaza-adenosine,7deazaadenosine,"sparsamycin A",CHEMBL267099,M351LCX45Y,"Antibio
tic XK 101-1","Antibiotic XK 1011",CHEBI:48267,"7H-Pyrrolo(2,3-d)pyrimidine, 4-amino-7-beta-D-ribofuranosyl-","7HPyrrolo(2,3d)pyrimidine, 4amino7betaDribofuranosyl","SKI 2699",T7004,Tubercidin}

> <pdid>
PD046183

> <targets>
{DNA/RNA Synthesis,Antibiotic,Bacterial,Influenza Virus}

> <classes>
{DNA Damage/DNA Repair,Anti-infection,Cell Cycle/DNA Damage}

> <pubchem_cids>
{6245}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 F   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 F   0  0
    3.8975   -2.2510    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 F   0  0
   -2.5983   -3.0004    0.0000 F   0  0
   -3.8975   -2.2510    0.0000 F   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2121    3.8625    0.0000 N   0  0
    0.7463    5.2884    0.0000 C   0  0
   -0.7537    5.2860    0.0000 N   0  0
   -1.6387    6.4949    0.0000 C   0  0
   -3.1309    6.3335    0.0000 C   0  0
   -3.7380    4.9609    0.0000 C   0  0
   -2.8530    3.7498    0.0000 O   0  0
   -5.2301    4.7995    0.0000 N   0  0
   -5.8373    3.4270    0.0000 N   0  0
   -7.3294    3.2656    0.0000 C   0  0
   -7.9382    1.8947    0.0000 C   0  0
   -9.4299    1.7364    0.0000 N   0  0
  -10.3127    2.9490    0.0000 C   0  0
   -9.7040    4.3199    0.0000 C   0  0
   -8.2124    4.4782    0.0000 N   0  0
   -1.2149    3.8587    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  7 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 18 31  1  0
 31 15  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12931

> <plate>
PLATE 025

> <well>
F11

> <supplier_cmpd_name>
Selinexor

> <ctcr_id>
7874

> <supplier_cmpd_id>
T6106

> <smiles>
FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/C(=O)NNc3cnccn3)n2

> <pd_targets>
{XPO1}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{"Other protein targets","Nuclear export proteins"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Separation of Sister Chromatids"}

> <broad_targets>
{XPO1}

> <broad_moa>
{"exportin antagonist"}

> <synonyms>
{Selinexor,KPT-330,KPT330,1393477-72-9,1393477729,Xpovio,"Selinexor HCl",UNII-31TZ62FO8F,UNII31TZ62FO8F,"Selinexor free base","KPT 330",31TZ62FO8F,"1393477-72-9 (free base)","1393477729 (free base)","
Selinexor (KPT-330)","Selinexor (KPT330)","Selinexor (USAN:INN)",KPT330;Selinexor,"Xpovio (TN)",Tube706,KPT-330(Selinexor),KPT330(Selinexor),S,T1844,T6106,S7252}

> <pdid>
PD010381

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{71481097}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
   -4.9623    7.9857    0.0000 C   0  0
   -4.2165    9.2871    0.0000 C   0  0
   -2.7483    8.9800    0.0000 C   0  0
   -2.6056    7.4996    0.0000 N   0  0
   -3.9550    6.8742    0.0000 C   0  0
   -1.3050    6.7507    0.0000 C   0  0
   -1.3022    5.2499    0.0000 C   0  0
   -0.0016    4.5011    0.0000 O   0  0
    0.0012    3.0002    0.0000 C   0  0
   -1.2981    2.2506    0.0000 C   0  0
   -1.2985    0.7506    0.0000 C   0  0
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.3000   -2.2500    0.0000 C   0  0
    2.5989   -1.4998    0.0000 N   0  0
    3.8981   -2.2494    0.0000 C   0  0
    3.8985   -3.7494    0.0000 C   0  0
    2.6000   -4.5000    0.0000 C   0  0
    1.3000   -3.7500    0.0000 N   0  0
    3.9000   -3.7500    0.0000 C   0  0
    3.9010   -2.2500    0.0000 C   0  0
    5.2000   -1.5000    0.0000 C   0  0
    6.4990   -2.2500    0.0000 C   0  0
    6.5000   -3.7500    0.0000 C   0  0
    6.5000   -2.2500    0.0000 C   0  0
    7.8000   -1.5000    0.0000 O   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    5.2000    3.0000    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    5.2000   -4.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33  9  1  0
 33 34  2  0
 34 12  1  0
 24 35  2  0
 35 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12932

> <plate>
PLATE 025

> <well>
G2

> <supplier_cmpd_name>
Pacritinib

> <ctcr_id>
3986

> <supplier_cmpd_id>
T6020

> <smiles>
C1CCN(C1)CCOc2ccc3Nc4nccc(n4)c5cccc(COCC=CCOCc2c3)c5

> <pd_targets>
{JAK3,JAK2,JAK1,FLT3,TYK2,CCNA1,CCNA2,CDK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","Tyrosine protein kinase JakA family","Tyrosine protein kinase PDGFR family","CMGC protein kinase CDK family","CMG
C protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Janus kinase (JakA) family","Type III RTKs: PDGFR"
,CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Signal Transduction","Cytokine Signaling in Immune system",Mitotic,"Signaling by Receptor Tyrosine Kinases","Signaling by Interleukins","Mitotic G1 phase and G1/S transi
tion","Interferon Signaling","Signaling by Insulin receptor","Interleukin-2 family signaling","G1 Phase","Antiviral mechanism by IFN-stimulated genes","Insulin receptor signalling cascade","Interferon
 alpha/beta signaling","Interleukin-15 signaling","Cyclin D associated events in G1","ISG15 antiviral mechanism","IRS-mediated signalling","Regulation of IFNA signaling","PI3K Cascade"}

> <broad_targets>
{FLT3,JAK1,JAK2,JAK3}

> <broad_moa>
{"FLT3 inhibitor","JAK inhibitor"}

> <synonyms>
{Pacritinib(SB1518),CHEMBL2181330,HMS3653B08,HMS3673G03,ZINC43153645,ZINC95938301,AK311720,DA-40351,DA40351,FT-0701734,FT0701734,T6020,S8057,Pacritinib,"Pacritinib (SB1518)"}

> <pdid>
PD036192

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{73354318}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
    9.4342   -9.8030    0.0000 C   0  0
    8.6883   -8.5016    0.0000 N   0  0
    9.4424   -7.2050    0.0000 C   0  0
    8.6966   -5.9036    0.0000 C   0  0
    7.1965   -5.8987    0.0000 N   0  0
    6.4425   -7.1955    0.0000 C   0  0
    7.1883   -8.4969    0.0000 C   0  0
    6.4482   -4.5978    0.0000 C   0  0
    7.2003   -3.3000    0.0000 C   0  0
    6.4523   -1.9997    0.0000 C   0  0
    4.9523   -1.9974    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    4.2003   -3.2952    0.0000 C   0  0
    4.9482   -4.5954    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 F   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
 16  8  1  0
 13 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 20  1  0
 26 27  1  0
 27 28  1  0
 28 17  1  0
 28 29  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12933

> <plate>
PLATE 025

> <well>
G3

> <supplier_cmpd_name>
Dovitinib

> <ctcr_id>
11363

> <supplier_cmpd_id>
T6289

> <smiles>
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

> <pd_targets>
{MAP3K10,ABL1,EPHB6,SIK2,GAK,EIF2AK4,ALK,LYN,MAP3K4,MAP4K1,EGFR,PDGFRA,AURKB,CDK7,STK16,PKN2,PRKCQ,FGFR2,FGR,CSF1R,DDR1,FLT3,KIT,STK3,TIE1,NTRK3,HIPK1,PRKAA1,ITK,MAP4K4,MYLK2,CDK4,JAK1,LRRK2,LATS1,NTR
K1,CSNK2A2,GSK3B,TYK2,LIMK1,STK11,MAP2K1,MAP2K2,SBK1,MELK,AAK1,STK4,RPS6KA4,GRK1,ULK1,STK39,HUNK,PKNB,MAP2K5,NIM1K,CDKL2,TNIK,BMP2K,NUAK2,FGFR3,MARK4,MARK1,MARK2,DYRK2,NEK6,NEK2,PHKG2,PIP5K1A,RIOK3,MY
LK4,TYRO3,PRPF4B,RPS6KA3,SRPK1,FYN,PRKAA2,LCK,PKN1,PRKD3,RET,FGFR4,CDK17,MERTK,RIPK1,FGFR1,HCK,CDK16,RPS6KA2,INSR,CLK1,KDR,FLT1,RPS6KA6,BMPR2,BRSK1,CAMK2G,MAP3K9,MST1R,CLK2,DCLK3,NEK9,PDGFRB,MAP3K11,S
TK24,PLK4,MAP3K7,NTRK2,NEK7,RPS6KA1,IRAK1,NEK4,PLK2,STK38,RIOK2,MAP3K19,STK25,MYLK3,CSNK2A1,RIOK1,TLK2,RPS6KB1,JAK2,SRC,STK17B,ACVR1,ULK3,MAP3K12,ULK2,MAST1,HIPK2,CDPK1,PHKG1,PAK3,CHEK1,MYLK,PIP4K2B,M
ARK3,SRPK2,FLT4,ANKK1,NUAK1,AXL,EIF2AK2,CLK4,MAP4K3,MUSK,RPS6KA5,BLK,IRAK4,STK10,FRK,CDK18,SLK,CIT,NEK5,AURKC,LATS2,MAP3K20,CAMKK1,PAK4,BTK,PIP5K1C,IKBKE,DDR2,MINK1,CHUK,MAP4K2,MAP3K2,SGK2,STK17A,MAP3
K13,MAPK10,TSSK1B,PRKD2,MAPK8,ROCK1,SRPK3,YES1,STK26,CAMK2D,CSNK1D,MAP4K5,CAMKK2,PRKCD,TBK1,HIPK3,WEE1,DAPK3,JAK3,SGK3,GRK7,PDPK1,PRKX,GRK4,ROCK2,CHEK2,PIM2,VEGFA}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Secreted protein",Kinase,Transferase,"Protein Kinase","TKL protein kinase group","TK protein kinase group","CAMK protein kinase group","Other protein kinase group","STE
 protein kinase group","CMGC protein kinase group","AGC protein kinase group","Atypical protein kinase group","CK1 protein kinase group","TKL protein kinase MLK family","Tyrosine protein kinase Abl fa
mily","CAMK protein kinase CAMK1 family","Other protein kinase NAK family","Other protein kinase PEK family","TKL protein kinase STKR family","Tyrosine protein kinase Src family","STE protein kinase S
TE11 family","STE protein kinase STE20 family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase PDGFR family","Other protein kinase AUR family","CMGC protein kinase CDK family","AGC prot
ein kinase PKN family","AGC protein kinase PKC family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Trk fami
ly","CMGC protein kinase DYRK family","Tyrosine protein kinase Tec family","CAMK protein kinase MLCK family","Tyrosine protein kinase JakA family","TKL protein kinase LRRK family","AGC protein kinase 
NDR family","Other protein kinase CK2 family","CMGC protein kinase GSK family","TKL protein kinase LISK family","STE protein kinase STE7 family","Other protein kinase NKF1 family","AGC protein kinase 
RSK family","AGC protein kinase GRK family","Other protein kinase ULK family","CMGC protein kinase CDKL family","Other protein kinase NEK family","CAMK protein kinase PHk family","Atypical protein kin
ase RIO family","Tyrosine protein kinase Axl family","CMGC protein kinase SRPK family","CAMK protein kinase PKD family","Tyrosine protein kinase Ret family","TKL protein kinase RIPK family","Tyrosine 
protein kinase InsR family","CMGC protein kinase CLK family","Tyrosine protein kinase VEGFR family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Met family","CAMK protein kinase DCAMK1 
family","Other protein kinase PLK family","TKL protein kinase IRAK family","Other protein kinase TLK family","CAMK protein kinase DAPK family","AGC protein kinase MAST family","Tyrosine protein kinase
 Musk family","AGC protein kinase DMPK family","Other protein kinase CAMKK family","Other protein kinase IKK family","AGC protein kinase SGK family","CMGC protein kinase MAPK family","CAMK protein kin
ase TSSK family","CK1 protein kinase CK1 family","Other protein kinase WEE family","AGC protein kinase PDK1 subfamily","AGC protein kinase PKA family","CAMK protein kinase RAD53 family","CAMK protein 
kinase PIM family","TKL protein kinase MLK subfamily","CAMK protein kinase QIK subfamily","Other protein kinase GCN2 subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase KHS subfa
mily","CMGC protein kinase CDK7 subfamily","AGC protein kinase PKC delta subfamily","STE protein kinase MST subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase AMPK subfamily","STE pr
otein kinase MSN subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase LKB subfamily","CAMK protein kinase MELK subfamily","AGC protein kinase MSK subfamily","AGC protein kinase GRK subf
amily","STE protein kinase FRAY subfamily","CAMK protein kinase NIM1 subfamily","CAMK protein kinase NuaK subfamily","CAMK protein kinase MARK subfamily","CMGC protein kinase Dyrk2 subfamily","Atypica
l protein kinase RIO3 subfamily","AGC protein kinase RSK subfamily","Tyrosine protein kinase SrcA","CMGC protein kinase PCTAIRE","CMGC protein kinase TAIRE subfamily","TKL protein kinase STKR Type 2 s
ubfamily","CAMK protein kinase BRSK subfamily","STE protein kinase YSK subfamily","TKL protein kinase TAK1 subfamily","Other protein kinase PLK2","Atypical protein kinase RIO2 subfamily","Atypical pro
tein kinase RIO1 subfamily","AGC protein kinase p70 subfamily","TKL protein kinase STKR1","STE protein kinase PAKA subfamily","CAMK protein kinase CHK1 subfamily","Other protein kinase PKR","STE prote
in kinase SLK subfamily","AGC protein kinase CRIK subfamily","Other protein kinase Meta subfamily","STE protein kinase PAKB subfamily","STE protein kinase MEKK2","TKL protein kinase LZK subfamily","CM
GC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kina
ses","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","Lipid modifying kinases",Atypical,"CK1: Casein kinase 1","TKL: Tyrosine kinase-like","TK: Tyrosine kinase
","CAMK-like (CAMKL) family","Other protein kinases","STE11 family","STE20 family","Cyclin-dependent kinase (CDK) family","Protein kinase N (PKN) family","Protein kinase C (PKC) family","Dual-specific
ity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Myosin Light Chain Kinase (MLCK) family","NDR family","Glycogen synthase kinase (GSK) family","STE7 family","RSK family","G protein-co
upled receptor kinases (GRKs)","Cyclin-dependent kinase-like (CDKL) family","Phosphorylase kinase (PHK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","RIO family","
SRPK family","Protein kinase D (PKD) family","CLK family","CAMK2 family","DCAMKL family","Death-associated kinase (DAPK) family","MAST family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 
4-kinase family)","DMPK family","SGK family","Mitogen-activated protein kinases (MAP kinases)","Testis specific kinase (TSSK) family","Casein kinase 1 (CK1) family","PDK1 family","Protein kinase A (PK
A) family","PIM family","Mixed Lineage Kinase (MLK) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","QIK subfamily","Numb-associated kinase (NAK) family","PEK family
","KHS subfamily","Aurora kinase (Aur) family","CDK7 subfamily","NAK family","Delta subfamily","MST subfamily","HIPK subfamily","AMPK subfamily","MSN subfamily","CDK4 subfamily","Leucine-rich repeat k
inase (LRRK) family","Casein kinase 2 (CK2) family","GSK subfamily","LIM domain kinase (LISK) family","LKB subfamily","NKF1 family","MELK subfamily","MSK subfamily","Opsin/rhodopsin kinases","Unc-51-l
ike kinase (ULK) family","FRAY subfamily","HUNK subfamily","NIM1 subfamily","NuaK subfamily","MARK subfamily","Dyrk2 subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","RIO3 subf
amily","PRP4 subfamily","RSK subfamily","TAIRE subfamily","Receptor interacting protein kinase (RIPK) family","Receptor serine/threonine kinase (RSTK) family","BRSK subfamily","YSK subfamily","Polo-li
ke kinase (PLK) family","Interleukin-1 receptor-associated kinase (IRAK) family","RIO2 subfamily","STE20 subfamily","RIO1 subfamily","Tousled-like kinase (TLK) family","p70 subfamily","PAKA subfamily"
,"CHK1 subfamily","SLK subfamily","Other DMPK family kinases","CAMKK family","PAKB subfamily","IKK family","JNK subfamily","Rho kinase","WEE family","GRK4 subfamily","MLK subfamily","Abl family","Type
 XIII RTKs: Ephrin receptor family","GCN2 subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type I
II RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Type XII RTKs: TIE family of angiopoietin
 receptors","Type VII RTKs: Neurotrophin receptor/Trk family","Tec family","Janus kinase (JakA) family","LIMK subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIV RTKs: 
RET","Type II RTKs: Insulin receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type II receptor serine/threonine kinases","Type X RTKs: HGF (hepatocyte growth 
factor) receptor family","TAK1 subfamily","Type I receptor serine/threonine kinases","LZK subfamily","Other PEK family kinases","Type IX RTKs: MuSK","Meta subfamily"}

> <pathway_reactome>
{Disease,"Developmental Biology","Vesicle-mediated transport","Cellular responses to external stimuli","Signal Transduction","Cell Cycle","Gene expression (Transcription)","Extracellular matrix organi
zation","Immune System",Autophagy,"Organelle biogenesis and maintenance",Metabolism,"Metabolism of RNA",Hemostasis,"Neuronal System","Programmed Cell Death","DNA Repair","Transport of small molecules"
,"Infectious disease","Nervous system development","Membrane Trafficking","Cellular responses to stress","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second mess
engers",Mitotic,"Signaling by Rho GTPases","RNA Polymerase II Transcription","Non-integrin membrane-ECM interactions","Signaling by Receptor Tyrosine Kinases","Signaling by Hippo","Adaptive Immune Sys
tem","Cytokine Signaling in Immune system","Signaling by Non-Receptor Tyrosine Kinases",Macroautophagy,"Cilium Assembly","Metabolism of carbohydrates","Metabolism of lipids","rRNA processing","Innate 
Immune System","Cell surface interactions at the vascular wall","Intracellular signaling by second messengers","Transmission across Chemical Synapses","Signaling by TGFB family members",Apoptosis,"MTO
R signalling","Signaling by Hedgehog","DNA Double-Strand Break Repair","ECM proteoglycans","Ion channel transport","Cell Cycle Checkpoints","Leishmania infection","Axon guidance","trans-Golgi Network 
Vesicle Budding","Response of EIF2AK4 (GCN2) to amino acid deficiency","GPCR downstream signalling","Signaling by PDGFR in disease","M Phase","HIV Infection","RHO GTPase Effectors","Signaling by FGFR 
in disease","Generic Transcription Pathway","Signaling by Insulin receptor","Signaling by KIT in disease","Signaling by NTRKs","TCR signaling","Cellular Senescence","Mitotic G1 phase and G1/S transiti
on","Interferon Signaling","Signaling by PTK6","SARS-CoV Infections","Clathrin-mediated endocytosis","Selective autophagy","Anchoring of the basal body to the plasma membrane","Regulation of mitotic c
ell cycle","Glycogen metabolism","Phospholipid metabolism","rRNA processing in the nucleus and cytosol","Toll-like Receptor Cascades","Sphingolipid metabolism","Signaling by FGFR","PIP3 activates AKT 
signaling","Signaling by VEGF","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by BMP","Signaling by MST1","Oncogenic MAPK signaling","Apoptotic execution phase","Mitotic 
G2-G2/M phases","mTORC1-mediated signalling","Hedgehog 'on' state","Homology Directed Repair","Influenza Infection","Neutrophil degranulation","Stimuli-sensing channels","DAG and IP3 signaling","G2/M 
Checkpoints","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by Interleukins","Parasite infection","EPH-Ephrin signaling","Golgi Associated Vesicle Biogenesis","Leishmania p
arasite growth and survival","G alpha (q) signalling events","Drug resistance of PDGFR mutants","Mitotic Metaphase and Anaphase","HIV Life Cycle","RHO GTPases activate PKNs","G alpha (i) signalling ev
ents","Signaling by FGFR2 in disease","Transcriptional Regulation by VENTX","Insulin receptor signalling cascade","Drug resistance of KIT mutants","Signaling by NTRK3 (TRKC)","Transcriptional Regulati
on by TP53","Generation of second messenger molecules","Oxidative Stress Induced Senescence","G1 Phase","Antiviral mechanism by IFN-stimulated genes","PTK6 promotes HIF1A stabilization","Signaling by 
NTRK1 (TRKA)","SARS-CoV-1 Infection","Interferon alpha/beta signaling","Semaphorin interactions","Cargo recognition for clathrin-mediated endocytosis","L1CAM interactions",Mitophagy,"Signaling by FGFR
3 in disease","Mitotic Prophase","APC/C-mediated degradation of cell cycle proteins","Glycogen breakdown (glycogenolysis)","PI Metabolism","Major pathway of rRNA processing in the nucleolus and cytoso
l","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Sphingolipid de novo biosynthesis","RET signaling","Signaling by FGFR4","Toll Like Receptor 4 (TLR4) Cascade","Signaling by
 FGFR1 in disease","Negative regulation of the PI3K/AKT network","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","Activation of NMDA receptors and postsynaptic events","Signaling by RAS mut
ants","Apoptotic cleavage of cellular proteins","G2/M Transition","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","RHO GTPases activate PAKs","NS1 Mediated Effects on Hos
t Pathways","Transcriptional regulation by RUNX1","Toll Like Receptor 2 (TLR2) Cascade","PTEN Regulation","RHO GTPases activate CIT","Signaling by ROBO receptors","CaM pathway","G2/M DNA damage checkp
oint","Caspase activation via Dependence Receptors in the absence of ligand","Interleukin-2 family signaling","Transcriptional regulation by the AP-2 (TFAP2) family of transcription factors","Leishman
ia phagocytosis","EPHB-mediated forward signaling","Anti-inflammatory response favouring Leishmania parasite infection","Gastrin-CREB signalling pathway via PKC and MAPK","Imatinib-resistant PDGFR mut
ants","Mitotic Anaphase","Late Phase of HIV Life Cycle","Visual phototransduction","FGFR2 mutant receptor activation","IRS-mediated signalling","Dasatinib-resistant KIT mutants","Activated NTRK3 signa
ls through PI3K","Regulation of TP53 Activity","Cyclin D associated events in G1","ISG15 antiviral mechanism","Signalling to ERKs","SARS-CoV-1 Genome Replication and Transcription","Regulation of IFNA
 signaling","Sema4D in semaphorin signaling","Recycling pathway of L1","Receptor Mediated Mitophagy","Signalling to ERK5","Signaling by FGFR3 point mutants in cancer","Nuclear Envelope Breakdown","Act
ivation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Synthesis of PIPs at the plasma membrane","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication
 and disease pathogenesis","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Downstream signaling of activated FGFR4","MyD88-independent TLR4 cascade",
"FGFR1 mutant receptor activation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization","Post NMDA receptor acti
vation events","Signaling downstream of RAS mutants","Centrosome maturation","Activation of TRKA receptors","Ephrin signaling","HDR through Homologous Recombination (HRR)","Inhibition of PKR","RUNX1 r
egulates transcription of genes involved in BCR signaling","Toll Like Receptor TLR6:TLR2 Cascade","Regulation of PTEN stability and activity","Activation of RAC1","SEMA3A-Plexin repulsion signaling by
 inhibiting Integrin adhesion","Calmodulin induced events","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Interleukin-15 signaling","TFAP2 (AP-2) family regulates transcription of g
rowth factors and their receptors","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 synthesis","EGFR Transactivation by Gastrin","Separation of Sister Chromatids","Transcription of the HIV genome"
,"The phototransduction cascade","Activated point mutants of FGFR2","PI3K Cascade","Regulation of TP53 Activity through Phosphorylation","Prolonged ERK activation events","Replication of the SARS-CoV-
1 genome","Sema4D induced cell migration and growth-cone collapse","FGFR3 mutant receptor activation","Activation of NIMA Kinases NEK9",NEK6,NEK7,"APC/C:Cdc20 mediated degradation of mitotic proteins"
,"MAP kinase activation","Nef and signal transduction","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FRS-mediated FGFR4 signaling","TRIF(TICAM1)-med
iated TLR4 signaling","Signaling by activated point mutants of FGFR1","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Loss of proteins required for interphase micro
tubule organization from the centrosome","NGF-independant TRKA activation","CD163 mediating an anti-inflammatory response","Signalling to RAS","Homologous DNA Pairing and Strand Exchange","Regulation 
of TP53 Activity through Acetylation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Activation of RAC1 downstream of NMDARs","Activation of AMPK downstream of NMDARs","Regulation of TP53 Ex
pression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","HIV Transcription Elongation",Inactivation,"recovery and regulation of the phototransduction cascade","ARMS-mediate
d activation","Frs2-mediated activation","Signaling by activated point mutants of FGFR3","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","MAPK
 targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","IKK complex recruitment mediated by RIP1","RSK activation","Ras activation upon Ca2+ influx through NMDA receptor"
,"Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TAK1 complex within TLR4 complex","activated TAK1 mediates p38 MAPK activation","p38MAPK events","Presynaptic phase of homologous D
NA pairing and strand exchange","PI5P Regulates TP53 Acetylation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Regulation of TP53 Degradation","Tat-mediated elongation of the HIV-1 transcri
pt","APC-Cdc20 mediated degradation of Nek2A","CREB phosphorylation","Activation of the AP-1 family of transcription factors","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CSF1R,EGFR,FGFR1,FGFR2,FGFR3,FLT1,FLT3,FLT4,INSR,KDR,KIT,PDGFRA,PDGFRB}

> <broad_moa>
{"EGFR inhibitor","FGFR inhibitor","FLT3 inhibitor","PDGFR tyrosine kinase receptor inhibitor","VEGFR inhibitor"}

> <synonyms>
{Dovitinib,405169-16-6,405169166,CHIR-258,CHIR258,TKI-258,TKI258,"Dovitinib (TKI-258, CHIR-258)","Dovitinib (TKI258, CHIR258)","Chir 258","Dovitinib free base",CHEMBL522892,UNII-I35H55G906,UNIII35H55G
906,804551-71-1,804551711,CHEMBL4578973,"405169-16-6 (free base)","405169166 (free base)",MFCD10565680,I35H55G906,"TKI 258",1027263-12-2,1027263122,C21H2,T6289}

> <pdid>
PD011193

> <targets>
{c-Kit,FGFR1,FGFR3,FLT3,VEGFR3/FLT4}

> <classes>
{Angiogenesis,"Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{135398510}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    0.4281   -3.2466    0.0000 C   0  0
    1.2925   -3.7494    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 Cl  0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -2.5000    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  9  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18  6  1  0
 18 19  2  0
  3 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12934

> <plate>
PLATE 025

> <well>
G4

> <supplier_cmpd_name>
Laquinimod

> <ctcr_id>
5404

> <supplier_cmpd_id>
T6561

> <smiles>
CCN(C(=O)C1=C(O)c2c(Cl)cccc2N(C)C1=O)c3ccccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CXCL2}

> <broad_moa>
{immunosuppressant}

> <synonyms>
{Laquinimod,248281-84-7,248281847,ABR-215062,ABR215062,"ABR 215062","CIVENTICHEM CV-4057","CIVENTICHEM CV4057",UNII-908SY76S4G,UNII908SY76S4G,248282-07-7,248282077,"Laquinimod (ABR-215062)","Laquinimo
d (ABR215062)",908SY76S4G,C19H17ClN2O3,MFCD08689859,"Laquinimod (INN)",SMR004701305,Lanquinimod,CIVENTICHEM,cc-96,cc96,ABR-2,ABR2,T6561,S2787}

> <pdid>
PD010572

> <targets>
{Others,Apoptosis,NF-ºB}

> <classes>
{Others,Apoptosis,NF-ºB}

> <pubchem_cids>
{54677946}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 O   0  0
   -3.8933    3.7570    0.0000 P   0  0
   -3.8912    5.2570    0.0000 O   0  0
   -5.1937    3.0092    0.0000 O   0  0
   -5.1912    4.5090    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  2  1  0
  7  8  1  0
  6  9  1  0
  9 10  2  0
  5 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12935

> <plate>
PLATE 025

> <well>
G5

> <supplier_cmpd_name>
Pyridoxal phosphate

> <ctcr_id>
13402

> <supplier_cmpd_id>
T3578

> <smiles>
CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O

> <pd_targets>
{P2RX1,P2RX2,AGXT2,GAD1,CBS,KYNU,SHMT1,NFS1,GOT1,OAT,ODC1,AADAT,ABAT,PNPO,SGPL1,TAT,KYAT1,SPTLC2,CSAD,HDC,AZIN2,SDS,GCAT,GLDC,GPT,PSAT1,ALAS1,AGXT,PDXP,SPTLC1,CTH,BCAT1,BCAT2,PLPBP,GOT2,PYGB,PYGM,DDC,
GIG18,GAD2,KYAT3,GADL1,SCLY,IGSF10,PHYKPL,SHMT2,ALAS2,GPT2,MOCOS,SDSL,SRR,SEPSECS,SPTLC3,GAD65,TLH6}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Ligand-gated ion channel",Lyase,Hydrolase,Transferase,Oxidoreductase,Phosphatase,"P2X receptor"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Ligand-gated ion channels","Carboxylases and decarboxylases","Hydrogen sulphide synthesis","GABA turnover","Sphingosine 1-phosphate turnover","Catecholamine turnover","Ceramid
e turnover","2.6.1.42 Branched-chain-amino-acid transaminase","P2X receptors",Decarboxylases,"Sphingosine 1-phosphate lyase","Serine palmitoyltransferase"}

> <pathway_reactome>
{Hemostasis,Metabolism,"Gene expression (Transcription)","Neuronal System","Extracellular matrix organization","Platelet homeostasis","Metabolism of nucleotides","RNA Polymerase II Transcription","Met
abolism of amino acids and derivatives","Metabolism of vitamins and cofactors","Transmission across Chemical Synapses","Metabolism of lipids","Metabolism of carbohydrates","Degradation of the extracel
lular matrix","Metabolism of porphyrins","Platelet calcium homeostasis","Nucleobase catabolism","Generic Transcription Pathway","Selenoamino acid metabolism","Tryptophan catabolism","Metabolism of wat
er-soluble vitamins and cofactors","Sulfur amino acid metabolism","Glutamate and glutamine metabolism","Metabolism of polyamines","Lysine catabolism","Neurotransmitter release cycle","Sphingolipid met
abolism","Phenylalanine and tyrosine metabolism","Histidine catabolism","Threonine catabolism","Glyoxylate metabolism and glycine degradation","Alanine metabolism","Serine biosynthesis","Regulation of
 lipid metabolism by PPARalpha","Branched-chain amino acid catabolism","Glycogen metabolism","Metabolism of amine-derived hormones","Collagen degradation","Heme biosynthesis","Elevation of cytosolic C
a2+ levels","Pyrimidine catabolism","Transcriptional Regulation by MECP2","Metabolism of ingested SeMet",Sec,"MeSec into H2Se","Metabolism of folate and pterines","Molybdenum cofactor biosynthesis","M
ethionine salvage pathway","Regulation of ornithine decarboxylase (ODC)","GABA synthesis",release,"reuptake and degradation","Vitamins B6 activation to pyridoxal phosphate","Sphingolipid de novo biosy
nthesis","Tyrosine catabolism","Phenylalanine metabolism","Degradation of cysteine and homocysteine","Agmatine biosynthesis","Glycine degradation","PPARA activates gene expression","Glycogen breakdown
 (glycogenolysis)","Catecholamine biosynthesis","Selenocysteine synthesis","MECP2 regulates transcription of genes involved in GABA signaling","Degradation of GABA"}

> <broad_targets>
{AADAT,ABAT,AGXT,AGXT2,ALAS1,AZIN2,BCAT1,BCAT2,CBS,CCBL1,CCBL2,CSAD,CTH,DDC,FTCD,GAD1,GAD2,GADL1,GCAT,GLDC,GOT1,GOT2,GPT,GPT2,HDC,IGSF10,KYNU,MOCOS,NFS1,OAT,ODC1,PDXDC1,PDXP,PHYKPL,PNPO,PROSC,PSAT1,PY
GB,PYGL,PYGM,SCLY,SDS,SDSL,SEPSECS,SGPL1,SHMT1,SHMT2,SPTLC1,SPTLC2,SPTLC3,SRR,TAT,THNSL1}

> <broad_moa>
{}

> <synonyms>
{"YRIDOXAL 5'-PHOSPHATE HYDRAT","YRIDOXAL 5'PHOSPHATE HYDRAT","pyridoxal phosphate",54-47-7,54477,Codecarboxylase,"pyridoxal 5-phosphate","pyridoxal 5phosphate","pyridoxal 5'-phosphate","pyridoxal 5'p
hosphate","Pyridoxal P",Biosechs,Hairoxal,Pyromijin,Vitazechs,Pyridoxal-5'-phosphate,Pyridoxal5'phosphate,"Pyridoxyl phosphate",(4-formyl-5-hydroxy-6-methylp,(4formyl5hydroxy6methylp}

> <pdid>
PD008883

> <targets>
{Others,Endogenous Metabolite,Reverse Transcriptase}

> <classes>
{Others,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{1051}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 85 85  0  0  1  0            999 V2000
   -2.2436    0.5438    0.0000 C   0  0
   -1.4900   -0.7531    0.0000 C   0  0
    0.0000   -0.7500    0.0000 C   0  0
    1.3000   -2.2500    0.0000 N   0  0
    1.3000   -3.7500    0.0000 C   0  0
    0.0011   -4.5002    0.0000 O   0  0
    2.6000   -4.5000    0.0000 C   0  0
    4.0784   -4.2414    0.0000 C   0  0  2  0  0  0
    4.7199   -5.0085    0.0000 O   0  0
    4.5945   -2.8321    0.0000 C   0  0  2  0  0  0
    3.6322   -1.6814    0.0000 C   0  0
    6.0728   -2.5734    0.0000 C   0  0
    7.0367   -3.7238    0.0000 C   0  0
    8.5151   -3.4652    0.0000 C   0  0
    9.4785   -4.6149    0.0000 C   0  0
    2.6000   -6.0000    0.0000 N   0  0
    1.3011   -6.7502    0.0000 C   0  0
    3.9000   -6.7500    0.0000 C   0  0
    3.9000   -8.2500    0.0000 O   0  0
    5.2000   -6.0000    0.0000 C   0  0
    5.7162   -4.5907    0.0000 C   0  0
    7.1938   -4.3324    0.0000 C   0  0
    5.0748   -3.8236    0.0000 C   0  0
    6.5000   -6.7500    0.0000 N   0  0
    6.5000   -8.2500    0.0000 C   0  0
    7.8000   -6.0000    0.0000 C   0  0
    7.8000   -4.5000    0.0000 O   0  0
    9.1000   -6.7500    0.0000 C   0  0
    9.1031   -8.2508    0.0000 C   0  0
   10.4039   -8.9994    0.0000 C   0  0
   10.4070  -10.4994    0.0000 C   0  0
   11.2691   -8.4979    0.0000 C   0  0
   10.4000   -6.0000    0.0000 N   0  0
   10.4000   -4.5000    0.0000 C   0  0
   11.7000   -6.7500    0.0000 C   0  0
   11.7000   -7.7500    0.0000 O   0  0
   13.0000   -6.0000    0.0000 C   0  0
   14.3013   -6.7478    0.0000 C   0  0
   15.6000   -5.9955    0.0000 C   0  0
   16.9005   -6.7428    0.0000 C   0  0
   15.5982   -4.9955    0.0000 C   0  0
   13.0000   -4.5000    0.0000 N   0  0
   11.7011   -3.7498    0.0000 C   0  0
   14.3000   -3.7500    0.0000 C   0  0
   15.1659   -4.2501    0.0000 O   0  0
   14.3000   -2.2500    0.0000 C   0  0
   13.0011   -1.4998    0.0000 C   0  0
   15.6000   -1.5000    0.0000 N   0  0
   15.6000    0.0000    0.0000 C   0  0
   16.8989    0.7502    0.0000 O   0  0
   14.3000    0.7500    0.0000 C   0  0
   13.0011   -0.0002    0.0000 C   0  0
   14.3000    2.2500    0.0000 N   0  0
   13.0000    3.0000    0.0000 C   0  0
   11.7011    2.2498    0.0000 O   0  0
   13.0000    4.5000    0.0000 C   0  0
   14.2982    5.2531    0.0000 C   0  0
   14.2961    6.7539    0.0000 C   0  0
   15.5935    7.5066    0.0000 C   0  0
   12.9957    7.5016    0.0000 C   0  0
   11.7000    5.2500    0.0000 N   0  0
   11.7000    6.7500    0.0000 C   0  0
   10.4000    4.5000    0.0000 C   0  0
   10.4000    3.0000    0.0000 O   0  0
    9.1000    5.2500    0.0000 C   0  0
    7.8000    4.5000    0.0000 N   0  0
    6.5000    5.2500    0.0000 C   0  0
    6.5000    6.7500    0.0000 O   0  0
    5.2000    4.5000    0.0000 C   0  0
    5.1969    2.9992    0.0000 C   0  0
    6.4946    2.2453    0.0000 C   0  0
    6.4916    0.7453    0.0000 C   0  0
    7.3619    2.7432    0.0000 C   0  0
    3.9000    5.2500    0.0000 N   0  0
    3.9000    6.7500    0.0000 C   0  0
    2.6000    4.5000    0.0000 C   0  0
    1.3011    5.2502    0.0000 O   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    2.2500    0.0000 N   0  0
    0.0011    3.0002    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.7054    0.2257    0.0000 O   0  0
    9.0969    6.7508    0.0000 C   0  0
    7.7968    7.4990    0.0000 C   0  0
   10.3946    7.5031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  7 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 20 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 28 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 37 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 49 50  2  0
 49 51  1  0
 51 52  1  0
 51 53  1  0
 53 54  1  0
 54 55  2  0
 54 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 58 60  1  0
 56 61  1  0
 61 62  1  0
 61 63  1  0
 63 64  2  0
 63 65  1  0
 65 66  1  0
 66 67  1  0
 67 68  2  0
 67 69  1  0
 69 70  1  0
 70 71  1  0
 71 72  1  0
 71 73  1  0
 69 74  1  0
 74 75  1  0
 74 76  1  0
 76 77  2  0
 76 78  1  0
 78 79  1  0
 79 80  1  0
 79 81  1  0
 81  3  1  0
 81 82  2  0
 65 83  1  0
 83 84  1  0
 83 85  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12936

> <plate>
PLATE 025

> <well>
G6

> <supplier_cmpd_name>
Cyclosporine

> <ctcr_id>
7470

> <supplier_cmpd_id>
T6459

> <smiles>
CCC1NC(=O)C([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C

> <pd_targets>
{ABCB1,ABCC2,NPSR1,ABCB11,NFO,APEX1,BLM,FTL,LMNA,NS1,POLB,GMNN,MAPT,PMP22,KMT2A,MEN1,PPIA,SLCO1B3,MTOR,SLCO1B1,FKBP1B,FPR1,CYP3A4,CYP3A43,CYP3A5,CYP3A7,FKBP1A,CYP2C19,PPID,FKBP4,PPP3CA,PPIB,ATP2A1,UGT
1A1,PPP3CC,REP,IL2,ABCB1B,ABCC1,CYP2C9,SLC10A1,ABCG2,UGT1A4,CACNA1C,TACR2,SLCO2B1,ABCC3,POL,ABCB1A,SLC10A2,PIK3CG,CAMLG,PPP3R2,PPIF}

> <pathway_gtopdb>
{Transporter,"Membrane receptor",Enzyme,"Unclassified protein","Other nuclear protein","Other cytosolic protein","Epigenetic regulator","Secreted protein","Ion channel","Primary active transporter","F
amily A G protein-coupled receptor",Hydrolase,Protease,Reader,Isomerase,"Electrochemical transporter",Kinase,"Cytochrome P450",Phosphatase,Transferase,"Voltage-gated ion channel","ATP-binding cassette
","Peptide receptor (family A GPCR)","Cysteine protease",Bromodomain,"SLC superfamily of solute carriers","Protein Kinase","Cytochrome P450 family 3","Cytochrome P450 family 2","Protein Phosphatase","
P-type ATPase","Voltage-gated calcium channel","ABCB subfamily","ABCC subfamily","Short peptide receptor (family A GPCR)","Cysteine protease CA clan","SLC21/SLCO family of organic anion transporting p
olypeptides","Atypical protein kinase group","N-formyl methionyl peptide receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Serine/threonine protein phosphatase","Calcium ATPase","SLC1
0 family of sodium-bile acid co-transporters","ABCG subfamily","Neuropeptide receptor","Cysteine protease C1A family","Atypical protein kinase PIKK family","Cytochrome P450 3A4","Cytochrome P450 2C19"
,"Cytochrome P450 2C9","Neurokinin receptor","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Transporters,Receptors,Enzymes,"Other protein targets","Ion channels","ATP-binding cassette transporter family","G protein-coupled receptors","Peptidyl-prolyl cis/trans isomerases","SLC superfamily o
f solute carriers","Kinases (EC 2.7.x.x)","Cytochrome P450","P-type ATPases","UDP glucuronosyltransferases (UGT)","Anti-infective targets","Voltage-gated ion channels","ABCB subfamily","ABCC subfamily
","Neuropeptide S receptor","SLCO family of organic anion transporting polypeptides",Atypical,"Formylpeptide receptors","CYP3 family","CYP2 family: drug metabolising subset","P2A P-type ATPases: Ca<su
p>2+</sup>-ATPases","Viral protein targets","SLC10 family of sodium-bile acid co-transporters","ABCG subfamily","Voltage-gated calcium channels","Tachykinin receptors","Lipid modifying kinases","Phosp
hatidyl inositol 3' kinase-related kinases (PIKK) family","Coronavirus (CoV) proteins",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"DNA Repair","Vesicle-mediated transport","Cell Cycle","Neuronal System","Developmental Biology","Gene expression (Transcription)","Muscle contraction","Signal Transduction","Cellu
lar responses to external stimuli","Extracellular matrix organization",Hemostasis,"Transport of small molecules","Protein localization","Abacavir transport and metabolism","Disorders of transmembrane 
transporters","Infectious disease","Metabolism of lipids","Base Excision Repair","DNA Double-Strand Break Repair","Membrane Trafficking",Mitotic,"Transmission across Chemical Synapses","Nervous system
 development","RNA Polymerase II Transcription","Cardiac conduction","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second messengers","Biological oxidations","Sig
naling by Nuclear Receptors","Cellular responses to stress","Collagen formation","Platelet homeostasis","Diseases of metabolism","SLC-mediated transmembrane transport","Insertion of tail-anchored prot
eins into the endoplasmic reticulum membrane","Abacavir transmembrane transport","ABC transporter disorders","Leishmania infection","Metabolism of steroids","Resolution of Abasic Sites (AP sites)","Ho
mology Directed Repair","trans-Golgi Network Vesicle Budding","M Phase","Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediate
d initiation of Schwann cell myelination","HIV Infection","Generic Transcription Pathway","Ion homeostasis","GPCR ligand binding","Signaling by TGF-beta Receptor Complex in Cancer","Biosynthesis of sp
ecialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","ESR-mediated signaling","Cellular response to heat stress","GPCR downstream signalling","Collagen biosynthesis and 
modifying enzymes","Platelet calcium homeostasis","Metabolic disorders of biological oxidation enzymes","SARS-CoV Infections","Fatty acid metabolism","Axon guidance","Transport of vitamins",nucleoside
s,"and related molecules","Phospholipid metabolism","Defective ABCC2 causes DJS","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Resolution of AP sites via the multiple
-nucleotide patch replacement pathway","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Golgi Associated Vesicle Biogenesis","Mitotic Metaphase and Anaphase","G1/S Transi
tion","Activation of NMDA receptors and postsynaptic events","HIV Life Cycle","Transcriptional Regulation by TP53","Class A/1 (Rhodopsin-like receptors)","Loss of Function of TGFBR1 in Cancer","Biosyn
thesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","HSF1-dependent transactivation","G alpha (i) signalling events","Reduction of cytosolic Ca++ levels","Defective UGT1A1 cause
s hyperbilirubinemia","SARS-CoV-2 Infection","Transcriptional regulation by RUNX1","Arachidonic acid metabolism","Defective UGT1A4 causes hyperbilirubinemia","NCAM signaling for neurite out-growth","T
ransport of organic anions","PI Metabolism","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts","PCNA-Dependent Long Patch Base Excision Repai
r","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Activation of the pre-replicative complex","Post NMDA receptor activation events","Early Phase of HIV Life Cycle","Recycling of bile
 acids and salts","Regulation of TP53 Activity","Peptide ligand-binding receptors","TGFBR1 LBD Mutants in Cancer","Biosynthesis of maresins",Xenobiotics,"Attenuation phase","Opioid Signalling","SARS-C
oV-2 Genome Replication and Transcription","RUNX1 and FOXP3 control the development of regulatory T lymphocytes (Tregs)","Synthesis of Leukotrienes (LT) and Eoxins (EX)","NCAM1 interactions","Synthesi
s of PIPs at the plasma membrane","ADORA2B mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Homologous DNA Pairing and Strand Ex
change","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Reverse Transcription of HIV RNA","Regulation of TP53 Expression and Degradation","Formyl peptide receptors bind f
ormyl peptides and many other ligands","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","DARPP-32 events","Replication of the SARS-CoV-2 genome","Tachykinin receptors bind tachykinins","Presynap
tic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Minus-strand DNA synthesis","Regulation of TP53 Degradation"}

> <broad_targets>
{ABCB11,CAMLG,FPR1,PPIA,PPIF,PPP3CA,PPP3R2,SLC10A1,SLCO1B1,SLCO1B3}

> <broad_moa>
{"calcineurin inhibitor"}

> <synonyms>
{cyclosporine,Restasis,79217-60-0,79217600,Cyclosporin,"Cyclosporine (Neoral)",SangCyA,Atopica,SCHEMBL4331439,SCHEMBL4454089,AOB5973,s1514,CCG-270653,CCG270653,AS-15704,AS15704,SW219558-1,SW2195581,AB
01566822_01,AB0156682201,AB01566822-01,"AB01566822 01","59865-13-3; C62H111N11O12","59865133; C62H111N11O12",S1514,Cyclosporine}

> <pdid>
PD001363

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{6435893}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
    0.5701    4.1788    0.0000 C   0  0
   -0.0400    5.5491    0.0000 C   0  0
   -1.5318    5.7059    0.0000 C   0  0
   -2.4135    4.4923    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -3.8781    1.4381    0.0000 C   0  0
   -4.3396    0.0100    0.0000 C   0  0
   -5.8056   -0.3074    0.0000 C   0  0
   -6.2639   -1.7357    0.0000 C   0  0
   -5.2561   -2.8467    0.0000 C   0  0
   -3.7901   -2.5294    0.0000 C   0  0
   -3.3318   -1.1011    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 11 19  1  0
 19  4  2  0
 19 20  1  0
 20 21  1  0
 21  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12937

> <plate>
PLATE 025

> <well>
G7

> <supplier_cmpd_name>
Mebhydroline

> <ctcr_id>
11365

> <supplier_cmpd_id>
T7085

> <smiles>
CN3Cc4c1ccccc1n(Cc2ccccc2)c4CC3

> <pd_targets>
{LMNA,CYP2D6,CYP1A2}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 2D6","Cytochrome P450 1
A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Mitotic,"Biological oxidations","M Phase","Phase I - Functionalization of compounds","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Mitotic A
naphase",Xenobiotics,"Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{antihistamine}

> <synonyms>
{Mebhydroline,524-81-2,524812,"5-Benzyl-2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole","5Benzyl2methyl2,3,4,5tetrahydro1Hpyrido(4,3b)indole",UNII-9SUK9B7XVY,UNII9SUK9B7XVY,9SUK9B7XVY,"5-benzyl-2-
methyl-3,4-dihydro-1H-pyrido(4,3-b)indole","5benzyl2methyl3,4dihydro1Hpyrido(4,3b)indole",1H-Pyrido(4,1HPyrido(4,3-b)indole,3b)indole,2,3,4,5-tetrahydro-2-methyl-5-(phenylme,5tetrahydro2methyl5(phenyl
me,T7085}

> <pdid>
PD001894

> <targets>
{"H1 receptor"}

> <classes>
{"GPCR/G Protein",Neuroscience}

> <pubchem_cids>
{22530}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 56 59  0  0  1  0            999 V2000
   11.3993   -1.3160    0.0000 C   0  0
   11.0670   -2.7788    0.0000 C   0  0  2  0  0  0
   10.7174   -1.3490    0.0000 C   0  0  2  0  0  0
    9.4007   -0.8384    0.0000 O   0  0
    9.6136    0.6990    0.0000 C   0  0
    8.4092    1.5789    0.0000 C   0  0  1  0  0  0
    7.0000    0.9520    0.0000 C   0  0  2  0  0  0
    7.0507   -0.6398    0.0000 C   0  0  2  0  0  0
    5.7622   -1.4077    0.0000 C   0  0
    8.4352   -1.4469    0.0000 C   0  0  1  0  0  0
    9.0533   -0.0825    0.0000 O   0  0
    8.1799    1.1380    0.0000 C   0  0  2  0  0  0
    6.7384    1.4714    0.0000 O   0  0
    6.3355    2.9163    0.0000 C   0  0  2  0  0  0
    4.8828    3.2899    0.0000 C   0  0
    7.3854    3.9876    0.0000 C   0  0
    8.8381    3.6141    0.0000 C   0  0  2  0  0  0
    9.8864    4.6881    0.0000 N   0  0
   11.3401    4.3185    0.0000 C   0  0
    9.4801    6.1321    0.0000 C   0  0
    7.1299    0.0668    0.0000 H   0  0
    9.2410    2.1692    0.0000 C   0  0  1  0  0  0
   10.6891    1.7779    0.0000 O   0  0
    5.5140    0.7598    0.0000 O   0  0
    4.6025    1.9522    0.0000 C   0  0  2  0  0  0
    3.3758    2.7795    0.0000 O   0  0
    2.0441    2.0891    0.0000 C   0  0  1  0  0  0
    0.7804    2.8972    0.0000 C   0  0
    1.9762    0.5907    0.0000 C   0  0  2  0  0  0
    0.6445   -0.0997    0.0000 O   0  0
    3.2709    1.2616    0.0000 H   0  0
    4.5716    0.4730    0.0000 C   0  0
    3.2399   -0.2174    0.0000 C   0  0  2  0  0  0
    1.8917   -0.8750    0.0000 C   0  0
    4.5064   -0.9840    0.0000 O   0  0
    5.8384   -0.2942    0.0000 C   0  0
    8.5682    3.0705    0.0000 C   0  0
   10.9946    1.2846    0.0000 O   0  0
   11.4259   -0.0241    0.0000 C   0  0
   12.9250    0.0260    0.0000 C   0  0
   12.1186   -1.4960    0.0000 O   0  0
   12.1864   -3.8781    0.0000 C   0  0  1  0  0  0
   12.0732   -5.4096    0.0000 C   0  0  2  0  0  0
   10.8475   -6.1578    0.0000 C   0  0
    9.4162   -5.4036    0.0000 C   0  0  1  0  0  0
    9.6095   -3.8052    0.0000 C   0  0
    8.1946   -3.0260    0.0000 C   0  0  1  0  0  0
    6.9614   -2.1721    0.0000 O   0  0
    8.1210   -4.5242    0.0000 C   0  0
    8.0876   -6.0999    0.0000 C   0  0
   10.8949   -7.6570    0.0000 O   0  0
   13.3534   -6.1914    0.0000 C   0  0
   13.4162   -4.7370    0.0000 H   0  0
   13.5208   -3.2737    0.0000 O   0  0
   13.4599   -1.9149    0.0000 C   0  0
   14.6482   -0.9995    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  1
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  1  6
 18 19  1  0
 18 20  1  0
 12 21  1  1
 12 22  1  0
 22 17  1  0
 22 23  1  1
  7 24  1  6
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  6
 27 29  1  0
 29 30  1  1
 25 31  1  6
 25 32  1  0
 32 33  1  0
 33 29  1  0
 33 34  1  6
 33 35  1  0
 35 36  1  0
  6 37  1  1
  5 38  2  0
  3 39  1  6
 39 40  1  0
  2 41  1  0
  2 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 10  1  0
 47 48  1  1
 47 49  1  0
 45 50  1  6
 44 51  2  0
 43 52  1  1
 42 53  1  1
 42 54  1  0
 54 55  1  0
 55 41  1  0
 55 56  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12938

> <plate>
PLATE 025

> <well>
G8

> <supplier_cmpd_name>
Davercin

> <ctcr_id>
11366

> <supplier_cmpd_id>
T6492

> <smiles>
C[C@]([C@H](OC([C@@H]([C@H]([C@H](C)[C@H]1O[C@@](O[C@H](C)C[C@@H]2N(C)C)([H])[C@@H]2O)O[C@@](O[C@@H](C)[C@@H]3O)([H])C[C@@]3(C)OC)C)=O)CC)(O4)[C@]([C@H](C([C@@H](C[C@]1(O)C)C)=O)C)([H])OC4=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Davercin,"Erythromycin cyclocarbonate","Erythromycin, cyclic 11,12-carbonate","Erythromycin, cyclic 11,12carbonate",55224-05-0,55224050,UNII-4H3125L82R,UNII4H3125L82R,4H3125L82R,Dravercin,"Erythromyc
in A 11,12-carbonate","Erythromycin A 11,12carbonate","Eritromicina A carbonato","Erythromycin A cyclic 11,12-carbonate","Erythromycin A cyclic 11,12carbonate","Cykliczny weglan er",T6492}

> <pdid>
PD021561

> <targets>
{Antibacterial}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{10033072}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 36  0  0  0  0            999 V2000
   10.3872    1.5316    0.0000 C   0  0
    9.0920    0.7751    0.0000 C   0  0
    7.7891    1.5184    0.0000 N   0  0
    7.7816    3.0185    0.0000 C   0  0
    9.0768    3.7750    0.0000 C   0  0
   10.3796    3.0316    0.0000 O   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -0.3186    7.4669    0.0000 C   0  0
   -1.8106    7.6213    0.0000 N   0  0
   -2.4185    6.2500    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 12  1  0
 20 16  1  0
 14 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 24  1  0
 28 29  2  0
 29 21  1  0
 10 30  1  0
 30 31  2  0
 31  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12939

> <plate>
PLATE 025

> <well>
G9

> <supplier_cmpd_name>
Entospletinib

> <ctcr_id>
7906

> <supplier_cmpd_id>
T6101

> <smiles>
C1CN(CCO1)c2ccc(Nc3nc(cn4ccnc34)c5ccc6cn[nH]c6c5)cc2

> <pd_targets>
{SYK,KIT,FLT3,JAK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Syk family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Syk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 
receptor family","Janus kinase (JakA) family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Cell Cycle","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases",Mitotic,"Le
ishmania infection","Signaling by KIT in disease","Signaling by Insulin receptor","Mitotic G1 phase and G1/S transition","Leishmania parasite growth and survival","Drug resistance of KIT mutants","Ins
ulin receptor signalling cascade","G1 Phase","Anti-inflammatory response favouring Leishmania parasite infection","Dasatinib-resistant KIT mutants","IRS-mediated signalling","Cyclin D associated event
s in G1","FCGR3A-mediated IL10 synthesis","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Entospletinib,1229208-44-9,1229208449,GS-9973,GS9973,"6-(1H-Indazol-6-yl)-N-(4-morpholinophenyl)imidazo(1,2-a)pyrazin-8-amine","6(1HIndazol6yl)N(4morpholinophenyl)imidazo(1,2a)pyrazin8amine",UNII-6I3
O3W6O3B,UNII6I3O3W6O3B,gs9973,"GS 9973",6I3O3W6O3B,CHEMBL3265032,"Entospletinib (GS-9973)","Entospletinib (GS9973)",C23H21N7O,6-(1H-indazol-6-yl)-N-(4-morpholin-4-,6(1Hindazol6yl)N(4morpholin4,T6101,S
7523}

> <pdid>
PD010283

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{59473233}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 65 74  0  0  1  0            999 V2000
   11.5847   -5.8944    0.0000 O   0  0
   11.3907   -4.4070    0.0000 C   0  0
   12.5828   -3.4951    0.0000 O   0  0
   13.9681   -4.0704    0.0000 C   0  0
   10.0047   -3.8314    0.0000 N   0  0
    8.8126   -4.7432    0.0000 C   0  0  2  0  0  0
    7.4265   -4.1676    0.0000 C   0  0
    7.2325   -2.6802    0.0000 O   0  0
    6.2365   -5.0779    0.0000 N   0  0
    4.8092   -4.6676    0.0000 C   0  0  2  0  0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
    1.1509    2.6326    0.0000 F   0  0
   -0.7960    4.3861    0.0000 F   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -3.9040    1.5956    0.0000 C   0  0
   -4.7857    2.8092    0.0000 C   0  0
   -4.1756    4.1795    0.0000 C   0  0
   -5.0577    5.3936    0.0000 C   0  0
   -6.5498    5.2393    0.0000 C   0  0
   -7.4296    6.4542    0.0000 C   0  0
   -6.8173    7.8235    0.0000 C   0  0
   -7.4251    9.1940    0.0000 N   0  0
   -6.3088   10.1959    0.0000 C   0  0
   -6.4633   11.6887    0.0000 C   0  0  1  0  0  0
   -5.9497   12.8881    0.0000 N   0  0
   -4.4459   12.8419    0.0000 C   0  0
   -3.7357   11.5206    0.0000 O   0  0
   -3.6559   14.1180    0.0000 C   0  0  1  0  0  0
   -2.1558   14.0728    0.0000 N   0  0
   -1.3658   15.3489    0.0000 C   0  0
   -2.0759   16.6701    0.0000 O   0  0
    0.1344   15.3037    0.0000 O   0  0
    0.9239   16.5791    0.0000 C   0  0
   -4.3637   15.4414    0.0000 C   0  0
   -3.5728   16.7159    0.0000 C   0  0
   -5.8630   15.4896    0.0000 C   0  0
   -6.5530   14.2192    0.0000 C   0  0  2  0  0  0
   -7.5836   14.9638    0.0000 C   0  0
   -8.1085   13.6894    0.0000 C   0  0
   -6.9932   12.8725    0.0000 C   0  0  1  0  0  0
   -5.1577   14.3173    0.0000 C   0  0
   -5.0110    9.4439    0.0000 N   0  0
   -5.3253    7.9780    0.0000 C   0  0
   -4.4455    6.7631    0.0000 C   0  0
   -2.6838    4.3363    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    3.9467   -5.8897    0.0000 C   0  0
    4.8668   -7.0842    0.0000 C   0  0
    6.2662   -6.5598    0.0000 C   0  0
    3.7838   -8.1353    0.0000 C   0  0
    5.2274   -8.5362    0.0000 C   0  0
    9.0036   -6.2318    0.0000 C   0  0
    7.8112   -7.1418    0.0000 C   0  0
   10.3877   -6.8099    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  1
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 32 31  1  6
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  6
 37 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 36 42  1  0
 42 43  1  0
 42 44  1  0
 33 45  1  0
 45 46  1  6
 46 47  1  0
 48 47  1  1
 48 32  1  0
 48 49  1  0
 49 45  1  0
 31 50  1  0
 50 51  1  0
 51 29  1  0
 51 52  2  0
 52 26  1  0
 25 53  2  0
 53 21  1  0
 22 54  1  0
 54 17  2  0
 54 55  1  0
 55 56  2  0
 56 15  1  0
 14 57  1  0
 57 11  1  0
 10 58  1  0
 58 59  1  0
 59 60  1  0
 60  9  1  0
 59 61  1  0
 61 62  1  0
 62 59  1  0
  6 63  1  0
 63 64  1  0
 63 65  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12940

> <plate>
PLATE 025

> <well>
G10

> <supplier_cmpd_name>
Ledipasvir

> <ctcr_id>
11367

> <supplier_cmpd_id>
T6200

> <smiles>
O=C(OC)N[C@H](C(=O)N1[C@H](c2ncc(c3cc4C(F)(F)c5c(ccc(c6ccc7nc([C@H]8N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@H]9CC[C@H]8C9)[nH]c7c6)c5)c4cc3)[nH]2)CC2(C1)CC2)C(C)C

> <pd_targets>
{NS5A}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Ledipasvir,1256388-51-8,1256388518,GS-5885,GS5885,UNII-013TE6E4WV,UNII013TE6E4WV,"Ledipasvir acetonate","GS 5885",CHEBI:85089,"WHO 9796",013TE6E4WV,"Ledipasvir (USAN:INN)","Ledipasvir (USAN)",SCHEMBL
2706494,CHEMBL2374220,SCHEMBL15116943,GTPL11271,DTXSID90154829,EX-A411,EXA411,T6200}

> <pdid>
PD009401

> <targets>
{GT1a,GT1b}

> <classes>
{Microbiology&Virology,Proteases/Proteasome}

> <pubchem_cids>
{67505836}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 27  0  0  0  0            999 V2000
    5.1760   -2.6331    0.0000 C   0  0
    3.7495   -2.5262    0.0000 C   0  0
    2.9195   -3.5378    0.0000 N   0  0
    3.0587   -5.1795    0.0000 C   0  0
    4.4845   -5.3618    0.0000 C   0  0
    4.2384   -3.7678    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.3806   -3.1372    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 10  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12941

> <plate>
PLATE 025

> <well>
G11

> <supplier_cmpd_name>
Mequitazine

> <ctcr_id>
3620

> <supplier_cmpd_id>
T4499

> <smiles>
C1CN2CCC1C(C2)CN3c4ccccc4Sc5ccccc35

> <pd_targets>
{RORC,NPSR1,MAPT,REP,HRH1,TPR,CYP2D6}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor","Other cytosolic protein",Enzyme,"Nuclear receptor","Family A G protein-coupled receptor",Transferase,Oxidoreductase,"Nuclear hormone receptor subfamily 1",
"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Monoamine receptor","Nuclear hormo
ne receptor subfamily 1 group F member 3","Neuropeptide receptor","Histamine receptor","Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 2D","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,"Other protein targets","Nuclear hormone receptors","G protein-coupled receptors","Anti-infective targets","1F. Retinoic acid-related orphans","Neuropeptide S receptor","Viral protein targe
ts","Histamine receptors","Coronavirus (CoV) proteins",Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Neuronal System","Signal Transduction","RNA Polymerase II Transcription","Infectious disease","Transmission across Chemical Synapses","Signaling by GPCR","G
eneric Transcription Pathway","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","SARS-CoV Infections","GPCR ligand binding","Transcriptional regulation by RUNX3"
,"Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","SARS-CoV-2 Infection","Class A/1 (Rhodopsin-like receptors)","RUNX3 Regulates Immune Response and Cel
l Migration","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","SARS-CoV-2 Genome Replication and Transcription","Amine ligand-binding recepto
rs","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Replication of the SARS-CoV-2 genome","Histamine receptors",Metabolism,"Biological oxidations",
"Phase I - Functionalization of compounds","Cytochrome P450 - arranged by substrate type",Xenobiotics,"CYP2E1 reactions"}

> <broad_targets>
{HRH1}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{mequitazine,29216-28-2,29216282,Metaplexan,Primalan,Virginan,Mircol,Instotal,Vigigan,(R)-(+)-Mequitazine,(R)(+)Mequitazine,"Mequitazina (Spanish)",Mequitazina,"Mequitazinum (INN-Latin)","Mequitazinum
 (INNLatin)","Mequitazina (INN-Spanish)","Mequitazina (INNSpanish)",10-(1-Azabicyclo(2.2.2)oct-3-ylmethyl)-10H-phenothiazin,10(1Azabicyclo(2.2.2)oct3ylmethyl)10Hphenothiazin,T4499,NSC303612,"NSC 30361
2",Mequitazine,"LM 209"}

> <pdid>
PD009826

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4066}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8883   -6.7578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 12  1  0
 16 17  2  0
 17  9  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12942

> <plate>
PLATE 025

> <well>
H2

> <supplier_cmpd_name>
Stiripentol

> <ctcr_id>
1300

> <supplier_cmpd_id>
T4498

> <smiles>
CC(C)(C)C(O)/C=C/c1ccc2OCOc2c1

> <pd_targets>
{GABRA1,GABRB2,GABRG2,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB3,GABRD,GABRE,GABRG1,GABRG3,GABRP,GABRQ,LDHA,LDHB}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Ligand-gated ion channel",Oxidoreductase,"GABA-A receptor"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"The citric acid (TCA) cycle and respiratory electron transport","Pyruvate metabolism and Citric Acid (TCA) cycle","Pyruvate metabolism"}

> <broad_targets>
{GABRA3}

> <broad_moa>
{"GABA uptake inhibitor"}

> <synonyms>
{STIRIPENTOL,Diacomit,49763-96-4,49763964,"BCX 2600",BCX-2600,BCX2600,"1-(Benzo(d)(1,3)dioxol-5-yl)-4,4-dimethylpent-1-en-3-ol","1(Benzo(d)(1,3)dioxol5yl)4,4dimethylpent1en3ol",MFCD00869310,"1-(1,3-Be
nzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol","1(1,3Benzodioxol5yl)4,4dimethyl1penten3ol","4,4-Dimethyl-1-((3,4-methylenedioxy)phenyl)-1-penten-3-ol","4,4Dimethyl1((3,4methylenedioxy)phenyl)1penten3ol",
NCGC0,T4498,SAM001247042,Stiripentol,CPD000449279}

> <pdid>
PD002858

> <targets>
{Cytochrome P450}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
{5311454}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

  8  8  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12943

> <plate>
PLATE 025

> <well>
H3

> <supplier_cmpd_name>
Amifampridine

> <ctcr_id>
11368

> <supplier_cmpd_id>
T4497

> <smiles>
Nc1ccncc1N

> <pd_targets>
{AMPC,KCNA1,KCNA10,KCNA2,KCNA3,KCNA4,KCNA5,KCNA6,KCNA7,KCNB1,KCNB2,KCNC1,KCNC2,KCNC3,KCNC4,KCND1,KCND2,KCND3,KCNF1,KCNG1,KCNG2,KCNG3,KCNG4,KCNH1,KCNH2,KCNH3,KCNH4,KCNH5,KCNH6,KCNH7,KCNH8,KCNQ1,KCNQ2,K
CNQ3,KCNQ4,KCNQ5,KCNS1,KCNS2,KCNS3,KCNV1,KCNV2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Hydrolase,"Voltage-gated ion channel","Potassium channels","Voltage-gated potassium channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Potassium channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Neuronal System","Potassium Channels","Voltage gated Potassium channels"}

> <broad_targets>
{}

> <broad_moa>
{"potassium channel blocker"}

> <synonyms>
{"3,4-DIAMINOPYRIDINE","3,4DIAMINOPYRIDINE",54-96-6,54966,"pyridine-3,4-diamine","pyridine3,4diamine",Amifampridine,"3,4-Pyridinediamine","3,4Pyridinediamine","3,4-DAP","3,4DAP",Firdapse,"4,5-Diaminop
yridine","4,5Diaminopyridine","Diamino-3,4 pyridine","Diamino3,4 pyridine",SC10,Zenas,"Pyridine, 3,4-diamino-","Pyridine, 3,4diamino",UNII-RU4S6E2G0J,UNIIRU4S6E2G0J,3-amino-4-pyridinylamine,3amino4pyr
idinylamine,MFCD0000640,T4497}

> <pdid>
PD012714

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5918}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 27  0  0  1  0            999 V2000
    7.0592   -0.7054    0.0000 C   0  0
    5.9990   -1.7665    0.0000 O   0  0
    6.3872   -3.2163    0.0000 N   0  0
    5.3265   -4.2780    0.0000 C   0  0
    3.8775   -3.8868    0.0000 C   0  0
    2.8152   -4.9458    0.0000 O   0  0
    3.4909   -2.4366    0.0000 N   0  0
    2.0479   -2.0470    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 O   0  0
    5.7131   -5.7282    0.0000 C   0  0
    7.1061   -6.2493    0.0000 C   0  0
    7.0226   -7.7470    0.0000 S   0  0
    5.5724   -8.1304    0.0000 C   0  0
    5.0302   -9.5289    0.0000 N   0  0
    4.7596   -6.8697    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14  9  1  0
 14 15  1  0
 15  8  1  0
 15 16  2  0
 13 17  1  0
 17 18  1  0
 17 19  2  0
  4 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12944

> <plate>
PLATE 025

> <well>
H4

> <supplier_cmpd_name>
Ceftizoxime

> <ctcr_id>
11369

> <supplier_cmpd_id>
T4501

> <smiles>
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O)c1csc(N)n1

> <pd_targets>
{CA1,CA2,GSR,MRCA,MRCB,DACC,DACA,DACB,FTSI,MRDA}

> <pathway_gtopdb>
{Enzyme,Lyase,Oxidoreductase,Protease,"Serine protease","Serine protease unclassified","Serine protease SE clan","Serine protease S11 family"}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases","1.-.-.- Oxidoreductases"}

> <pathway_reactome>
{"Immune System","Transport of small molecules","Gene expression (Transcription)","Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","RNA Polymerase II Transcription","Signaling b
y Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Generic Transcription Pathway","Interleukin-12 family signaling","Transcriptional Regulation by TP53","Interleukin-12 signalin
g","TP53 Regulates Metabolic Genes","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{ceftizoxime,68401-81-0,68401810,"68401-81-0 (FREE ACID)","68401810 (FREE ACID)",ceftizoxim,FR-13749,FR13749,"Epitope ID:174841",BIDD:GT0710,CHEMBL551654,GTPL10785,FK749,ZINC3830477,AKOS015896629,ACN-
045395,ACN045395,"compound 22 (PMID: 2342058)",Q1082945,T4501,Ceftizoxime}

> <pdid>
PD009556

> <targets>
{Antibacterial}

> <classes>
{Microbiology&virology}

> <pubchem_cids>
{5361848}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 S   0  0
    2.5933   -4.5058    0.0000 O   0  0
    2.5909   -6.0056    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1863   -7.5109    0.0000 C   0  0
    6.4838   -8.2636    0.0000 C   0  0
    7.7844   -7.5162    0.0000 C   0  0
    7.7875   -6.0162    0.0000 C   0  0
    6.4900   -5.2636    0.0000 C   0  0
    9.0842   -8.2667    0.0000 C   0  0
    9.0837   -9.7667    0.0000 C   0  0
   10.3837   -7.5175    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  2 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12945

> <plate>
PLATE 025

> <well>
H5

> <supplier_cmpd_name>
Hydroxyhexamide

> <ctcr_id>
11370

> <supplier_cmpd_id>
T0150

> <smiles>
O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HYDROXYHEXAMIDE,3168-01-2,3168012,(+/-)-Hydroxyhexamid,(+/)Hydroxyhexamid,"( inverted exclamation markA)-Hydroxyhexamid","( inverted exclamation markA)Hydroxyhexamid",CHEMBL2105052,SCHEMBL22120282,DT
XSID50953633,CHEBI:168619,BCP29980,HY-B1103,HYB1103,MFCD00871870,N-((Cyclohexylamino)carbonyl)-4-(1-hydroxyethyl)benzenes,N((Cyclohexylamino)carbonyl)4(1hydroxyethyl)benzenes,T0150,Hydroxyhexamide}

> <pdid>
PD055188

> <targets>
{"ATP-sensitive potassium (KATP) channels"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{18497}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 34 36  0  0  1  0            999 V2000
    8.8701    2.9112    0.0000 Na  0  3
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4944    3.7531    0.0000 O   0  0
   -6.4922    5.2539    0.0000 C   0  0
   -5.1919    6.0016    0.0000 O   0  0
   -7.7905    6.0070    0.0000 N   0  0
   -7.7883    7.5078    0.0000 C   0  0
   -9.0865    8.2609    0.0000 C   0  0
   -9.0844    9.7609    0.0000 Cl  0  0
   -9.0931    5.2615    0.0000 C   0  0
  -10.3904    6.0160    0.0000 C   0  0
  -11.6923    5.2710    0.0000 Cl  0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    3.8887   -1.4031    0.0000 O   0  0
    4.9055   -2.5070    0.0000 P   0  0
    4.4576   -3.9386    0.0000 O   0  0
    5.9212   -3.6108    0.0000 O   0  0
    6.3693   -2.1795    0.0000 O   0  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 16 20  1  0
 20 21  1  0
 21 22  1  0
 12 23  2  0
 23 24  1  0
 24 25  2  0
 25  6  1  0
 25 10  1  0
  7 26  1  0
 26  3  1  0
 26 27  1  1
 27 28  1  0
 28 29  1  0
 29  3  1  0
 29 30  1  1
 30 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  2  0
M  CHG  1   1   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12946

> <plate>
PLATE 025

> <well>
H6

> <supplier_cmpd_name>
Estramustine phosphate sodium

> <ctcr_id>
1041

> <supplier_cmpd_id>
T4451

> <smiles>
[Na+].C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2O[P](O)(O)=O

> <pd_targets>
{PTPN6,PTPN11,PTPN1,ESR2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Phosphatase,"Nuclear receptor","Protein Phosphatase","Nuclear hormone receptor subfamily 3","Tyrosine protein phosphatase","Nuclear hormone receptor subfamily 3 group A"
,"Nuclear hormone receptor subfamily 3 group A member 2"}

> <pathway_chembl>
{Enzymes,Receptors,Phosphatases,"Nuclear hormone receptors","Protein tyrosine phosphatases non-receptor type (PTPN)","Steroid hormone receptors","3A. Estrogen receptors"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","Signal Transduction","Cytokine Signaling in Immune system","Innate Immune System","RNA Polymerase II Transcription","Intracellular signaling by seco
nd messengers","Interferon Signaling","Toll-like Receptor Cascades","Generic Transcription Pathway","PIP3 activates AKT signaling","Interferon alpha/beta signaling","Toll Like Receptor 4 (TLR4) Cascad
e","Transcriptional Regulation by MECP2","Negative regulation of the PI3K/AKT network","Regulation of IFNA signaling","MyD88-independent TLR4 cascade","MECP2 regulates neuronal receptors and channels"
,PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","TRIF(TICAM1)-mediated TLR4 signaling","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{ESR1,ESR2,MAP1A,MAP2}

> <broad_moa>
{"DNA synthesis inhibitor","microtubule inhibitor"}

> <synonyms>
{"Emcyt (Pharmacia)","Estramustine disodium phosphate",NSC702294,NSC-702294,702294,"NSC 702294","Estramustine phosphate sodium"}

> <pdid>
PD014231

> <targets>
{}

> <classes>
{"Alkylating agent"}

> <pubchem_cids>
{54611422}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 41 44  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    0.0048   -6.0009    0.0000 N   0  0
   -1.2955   -5.2529    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -2.6004   -3.0073    0.0000 N   0  0
   -2.6054   -1.5073    0.0000 C   0  0
   -3.8978   -3.7617    0.0000 C   0  0
   -3.8928   -5.2617    0.0000 O   0  0
   -5.2003   -3.0161    0.0000 C   0  0
   -5.2054   -1.5161    0.0000 C   0  0
   -3.9039   -2.2615    0.0000 C   0  0
   -6.4978   -3.7705    0.0000 C   0  0
   -6.4932   -5.2705    0.0000 C   0  0
   -7.7899   -6.0244    0.0000 C   0  0
   -9.0913   -5.2784    0.0000 C   0  0
   -9.0958   -3.7784    0.0000 C   0  0
   -7.7991   -3.0244    0.0000 C   0  0
  -10.3979   -3.0320    0.0000 C   0  0
  -11.6951   -3.7851    0.0000 F   0  0
  -10.4020   -1.5320    0.0000 F   0  0
  -11.6988   -2.2853    0.0000 F   0  0
   -7.7854   -7.5252    0.0000 C   0  0
   -6.4845   -8.2721    0.0000 F   0  0
   -9.0823   -8.2788    0.0000 F   0  0
   -7.7815   -9.0252    0.0000 F   0  0
    2.6035   -5.9971    0.0000 N   0  0
    3.9026   -5.2472    0.0000 C   0  0
    5.2017   -5.9972    0.0000 C   0  0
    5.2017   -7.4972    0.0000 N   0  0
    3.9026   -8.2472    0.0000 C   0  0
    2.6036   -7.4972    0.0000 C   0  0
    6.5007   -8.2472    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 23 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
 10 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 35  1  0
 38 41  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12947

> <plate>
PLATE 025

> <well>
H7

> <supplier_cmpd_name>
Netupitant

> <ctcr_id>
11372

> <supplier_cmpd_id>
T6905

> <smiles>
Cc1ccccc1c1cc(ncc1N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCN(CC1)C

> <pd_targets>
{TACR1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Neurokinin receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Tachykinin receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors","Tachykinin receptors bind tachykinins"}

> <broad_targets>
{TACR1}

> <broad_moa>
{"tachykinin antagonist"}

> <synonyms>
{Netupitant,290297-26-6,290297266,UNII-7732P08TIR,UNII7732P08TIR,CHEMBL206253,CHEBI:85155,"Ro 67-3189/000","Ro 673189/000",7732P08TIR,Ro-673189000,Ro673189000,"Netupitant (USAN:INN)",CID6451149,"CID 6
451149",CID-6451149,Ro-67-3189,Ro673189,"Netupitant (USAN/INN)","Ro 67-31898/000","Ro 6731898/000",SCHEMBL445804,GTPL5742,Ne,T6905}

> <pdid>
PD009391

> <targets>
{NK1,Neurokinin Receptor}

> <classes>
{Neuroscience,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{6451149}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11  8  0  0  0  0            999 V2000
   12.7999   -0.3754    0.0000 Fe  0  2
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  5
    3.8993    0.7496    0.0000 O   0  0
    6.4007    0.0004    0.0000 N   0  0
    7.7000    0.7500    0.0000 C   0  0
    9.0000    0.0000    0.0000 C   0  0
    9.0000   -1.5000    0.0000 O   0  5
   10.2992    0.7496    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
M  CHG  3   1   2   5  -1  10  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12948

> <plate>
PLATE 025

> <well>
H8

> <supplier_cmpd_name>
Ferrous Bisglycinate

> <ctcr_id>
11373

> <supplier_cmpd_id>
T4505

> <smiles>
[Fe++].NCC([O-])=O.NCC([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ferrous bisglycinate","Iron glycinate",20150-34-9,20150349,2-aminoacetate;iron(2+),2aminoacetate;iron(2+),34369-82-9,34369829,UNII-SFW1D987QV,UNIISFW1D987QV,"iron bisglycinate",SFW1D987QV,FERROUSBIS
GLYCINATE,"Bisglycine iron(II) salt",Bis(glycinato)iron,"Iron Bis-glycinate","Iron Bisglycinate",C4H8FeN2O4,S,T4512,T4505,"Magnesium glycinate","Ferrous Bisglycinate"}

> <pdid>
PD060983

> <targets>
{ER,PR}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{9837124}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 38  0  0  1  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 N   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.2095   -5.9863    0.0000 C   0  0
   -6.5049   -5.2298    0.0000 N   0  0
   -7.8077   -5.9733    0.0000 C   0  0
   -7.8152   -7.4733    0.0000 C   0  0
   -6.5200   -8.2298    0.0000 C   0  0
   -5.2172   -7.4864    0.0000 C   0  0
   -3.9219   -8.2429    0.0000 F   0  0
   -9.1187   -8.2171    0.0000 C   0  0
  -10.4144   -7.4614    0.0000 F   0  0
   -9.1258   -9.7171    0.0000 F   0  0
  -10.4212   -8.9612    0.0000 F   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 C   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4983   -0.7414    0.0000 F   0  0
    6.5005   -2.2411    0.0000 F   0  0
    5.2029   -2.9932    0.0000 F   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 21 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
  7 29  1  0
 29 30  1  0
 29 31  2  0
 29 32  2  0
  2 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12949

> <plate>
PLATE 025

> <well>
H9

> <supplier_cmpd_name>
Bitopertin

> <ctcr_id>
11374

> <supplier_cmpd_id>
T6788

> <smiles>
C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F

> <pd_targets>
{SLC6A9,SLC6A5,KCNH2}

> <pathway_gtopdb>
{Transporter,"Ion channel","Electrochemical transporter","Voltage-gated ion channel","SLC superfamily of solute carriers","Potassium channels","SLC06 neurotransmitter transporter family","Voltage-gate
d potassium channel"}

> <pathway_chembl>
{Transporters,"Ion channels","SLC superfamily of solute carriers","Voltage-gated ion channels","SLC6 neurotransmitter transporter family","Potassium channels","Glycine transporter subfamily","Voltage-
gated potassium channels"}

> <pathway_reactome>
{"Transport of small molecules",Disease,"Muscle contraction","SLC-mediated transmembrane transport","Disorders of transmembrane transporters","Cardiac conduction","Transport of bile salts and organic 
acids","metal ions and amine compounds","SLC transporter disorders","Phase 3 - rapid repolarisation","Na+/Cl- dependent neurotransmitter transporters","Defective SLC6A5 causes hyperekplexia 3 (HKPX3)"
}

> <broad_targets>
{SLC6A5,SLC6A9}

> <broad_moa>
{"glycine transporter inhibitor"}

> <synonyms>
{Bitopertin,845614-11-1,845614111,Paliflutine,RG1678,UNII-Q8L6AN59YY,UNIIQ8L6AN59YY,RO-4917838,RO4917838,RG-1678,Q8L6AN59YY,CHEMBL1171829,R-1678,R1678,"Paliflutine (INN)","Bitopertin (USAN:INN)","RG 1
678","Ro 4917939","Bitopertin (JAN/USAN)","RO 4917838","R 1678",SCHEMBL56249,T6788}

> <pdid>
PD047488

> <targets>
{GlyT1,GlyT}

> <classes>
{Neuroscience,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{24946690}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 14  0  0  1  0            999 V2000
   14.1999    0.3750    0.0000 *   0  0
    2.6000   -1.5000    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3011   -0.7502    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0  1  0  0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 N   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6992    0.7496    0.0000 O   0  0
   10.3999   -1.5000    0.0000 O   0  5
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
M  CHG  1  16  -1
A    1
0.5Ca\S2+
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12950

> <plate>
PLATE 025

> <well>
H10

> <supplier_cmpd_name>
Calcium pantothenate

> <ctcr_id>
16208

> <supplier_cmpd_id>
T3551

> <smiles>
['0.5Ca\S2+'].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Calcium pantothenate","Calcium D-pantothenate","Vitamin B5 calcium salt",HY-N0681,"D-Pantothenic acid (hemicalcium salt)","D-Pantothenic acid (hemicalcium salt)"}

> <pdid>

> <targets>
{Apoptosis,Endogenous Metabolite}

> <classes>
{Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
.

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11  8  0  0  0  0            999 V2000
   12.7999   -0.3754    0.0000 Fe  0  2
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  5
    3.8993    0.7496    0.0000 O   0  0
    6.4007    0.0004    0.0000 N   0  0
    7.7000    0.7500    0.0000 C   0  0
    9.0000    0.0000    0.0000 C   0  0
    9.0000   -1.5000    0.0000 O   0  5
   10.2992    0.7496    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
M  CHG  3   1   2   5  -1  10  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12951

> <plate>
PLATE 025

> <well>
H11

> <supplier_cmpd_name>
Magnesium glycinate

> <ctcr_id>
11373

> <supplier_cmpd_id>
T4512

> <smiles>
[Fe++].NCC([O-])=O.NCC([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ferrous bisglycinate","Iron glycinate",20150-34-9,20150349,2-aminoacetate;iron(2+),2aminoacetate;iron(2+),34369-82-9,34369829,UNII-SFW1D987QV,UNIISFW1D987QV,"iron bisglycinate",SFW1D987QV,FERROUSBIS
GLYCINATE,"Bisglycine iron(II) salt",Bis(glycinato)iron,"Iron Bis-glycinate","Iron Bisglycinate",C4H8FeN2O4,S,T4512,T4505,"Magnesium glycinate","Ferrous Bisglycinate"}

> <pdid>
PD060983

> <targets>
{ER,PR}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{9837124}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 43 43  0  0  0  0            999 V2000
   -2.9067  -18.2278    0.0000 C   0  0
   -3.3720  -16.8018    0.0000 C   0  0
   -4.8397  -16.4922    0.0000 C   0  0
   -2.3698  -15.6846    0.0000 O   0  0
   -2.8354  -14.2578    0.0000 C   0  0
   -4.3031  -13.9482    0.0000 O   0  0
   -1.8332  -13.1406    0.0000 O   0  0
   -2.2988  -11.7138    0.0000 C   0  0
   -1.2966  -10.5966    0.0000 O   0  0
   -1.7622   -9.1698    0.0000 P   0  0
   -3.2299   -8.8602    0.0000 O   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.2443   -5.8182    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7858  -10.3069    0.0000 O   0  0
   -4.2540   -9.9960    0.0000 C   0  0
   -5.2581  -11.1114    0.0000 O   0  0
   -6.7264  -10.8005    0.0000 C   0  0
   -7.1905   -9.3741    0.0000 O   0  0
   -7.7305  -11.9159    0.0000 O   0  0
   -9.1988  -11.6050    0.0000 C   0  0
  -10.2024  -12.7198    0.0000 C   0  0
   -9.6629  -10.1786    0.0000 C   0  0
    6.3987   -6.4891    0.0000 O   0  0
    6.3987   -7.9891    0.0000 C   0  0
    5.0994   -8.7387    0.0000 O   0  0
    7.6987   -8.7391    0.0000 C   0  0
    8.9987   -7.9891    0.0000 C   0  0
   10.2987   -8.7391    0.0000 C   0  0
   11.5980   -7.9895    0.0000 O   0  0
   10.2987  -10.2391    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 17  1  0
 26 20  1  0
 10 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  2  3
 40 41  1  0
 41 42  2  0
 41 43  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12952

> <plate>
PLATE 026

> <well>
A2

> <supplier_cmpd_name>
Tenofovir Disoproxil Fumarate

> <ctcr_id>
3141

> <supplier_cmpd_id>
T2409L

> <smiles>
CC(C)OC(=O)OCOP(=O)(COC(C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C.OC(=O)C=CC(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sugammadex;Tenofovir DF","(S)-Tenofovir Disoproxil Fumarate","(S)Tenofovir Disoproxil Fumarate",HMS3654J04,AK-51342,AK51342,SY028733,FT-0651252,FT0651252,A814336,S1400,"Tenofovir Disoproxil Fumarate
"}

> <pdid>

> <targets>
{"Reverse Transcriptase"}

> <classes>
{Microbiology}

> <pubchem_cids>
{53394991}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  3
    0.0000    3.0000    0.0000 O   0  5
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    2.6016   -2.9971    0.0000 O   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6060   -6.0003    0.0000 C   0  0
    2.6061   -7.5003    0.0000 C   0  0
    1.3071   -8.2503    0.0000 C   0  0
    1.3102   -9.7511    0.0000 O   0  0
    2.6110  -10.4997    0.0000 C   0  0
    2.6142  -11.9997    0.0000 F   0  0
    3.9087   -9.7474    0.0000 F   0  0
    0.0080   -7.5003    0.0000 C   0  0
   -1.2933   -8.2481    0.0000 O   0  0
   -2.5920   -7.4959    0.0000 C   0  0
   -3.8932   -8.2437    0.0000 C   0  0
   -5.3141   -8.1981    0.0000 C   0  0
   -4.5640   -9.4971    0.0000 C   0  0
    0.0080   -6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 16 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 24  1  0
 21 27  2  0
 27 13  1  0
M  CHG  2   4   1   5  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12953

> <plate>
PLATE 026

> <well>
A3

> <supplier_cmpd_name>
Roflumilast N-oxide

> <ctcr_id>
11376

> <supplier_cmpd_id>
T4462

> <smiles>
Clc3c[n+]([O-])cc(Cl)c3NC(=O)c2ccc(OC(F)F)c(OCC1CC1)c2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"OFLUMILAST NOXID","roflumilast N-oxide","roflumilast Noxide",292135-78-5,292135785,"Daxas N-oxide","Daxas Noxide",1794760-31-8,1794760318,"Roflumilast-d4 N-Oxide","Roflumilastd4 NOxide",UNII-F08MQ6C
ZCS,UNIIF08MQ6CZCS,F08MQ6CZCS,SCHEMBL185643,CHEMBL4082392,SCHEMBL20756169,DTXSID80433059,BCP28534,MFCD04112984,ZINC77312930,CCG-277877,CCG277877,AS-74398,AS74398,AK00,T4462,"Roflumilast N-oxide"}

> <pdid>
PD098862

> <targets>
{PDE4}

> <classes>
{Metabolism}

> <pubchem_cids>
{9940999}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 67 72  0  0  0  0            999 V2000
    9.0912    0.7685    0.0000 C   0  0
    7.7907    1.5158    0.0000 O   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6015   -2.9986    0.0000 C   0  0
    3.9027   -3.7449    0.0000 C   0  0
    5.1996   -2.9912    0.0000 C   0  0
    6.5008   -3.7375    0.0000 C   0  0
    7.7968   -2.9807    0.0000 O   0  0
    7.7904   -1.4807    0.0000 C   0  0
    6.5050   -5.2375    0.0000 C   0  0
    7.8054   -5.9869    0.0000 O   0  0
    7.8075   -7.4869    0.0000 C   0  0
    5.2081   -5.9912    0.0000 C   0  0
    3.9070   -5.2449    0.0000 C   0  0
    2.6101   -5.9986    0.0000 C   0  0
    1.3089   -5.2523    0.0000 C   0  0
    1.3046   -3.7523    0.0000 N   0  3
    1.3371   -2.2526    0.0000 C   0  0
    0.0434   -4.5274    0.0000 C   0  0
    0.0470   -6.0283    0.0000 C   0  0
   -1.2504   -6.7826    0.0000 C   0  0
   -2.5515   -6.0362    0.0000 O   0  0
   -1.2468   -8.2835    0.0000 O   0  0
   -2.5443   -9.0378    0.0000 C   0  0
   -2.5406  -10.5387    0.0000 C   0  0
   -3.8381  -11.2930    0.0000 C   0  0
   -3.8344  -12.7939    0.0000 C   0  0
   -5.1319  -13.5482    0.0000 C   0  0
   -5.1282  -15.0491    0.0000 O   0  0
   -6.4257  -15.8035    0.0000 C   0  0
   -7.7268  -15.0570    0.0000 O   0  0
   -6.4221  -17.3043    0.0000 C   0  0
   -7.7195  -18.0587    0.0000 C   0  0
   -7.7159  -19.5595    0.0000 N   0  3
   -9.0128  -20.3130    0.0000 C   0  0
   -6.4549  -18.7854    0.0000 C   0  0
   -5.1540  -19.5320    0.0000 C   0  0
   -5.1501  -21.0320    0.0000 C   0  0
   -3.8491  -21.7787    0.0000 C   0  0
   -3.8452  -23.2787    0.0000 C   0  0
   -2.5420  -24.0230    0.0000 O   0  0
   -1.2460  -23.2678    0.0000 C   0  0
   -5.1423  -24.0320    0.0000 C   0  0
   -5.1415  -25.5328    0.0000 O   0  0
   -3.8426  -26.2830    0.0000 C   0  0
   -6.4433  -23.2854    0.0000 C   0  0
   -6.4472  -21.7854    0.0000 C   0  0
   -7.7481  -21.0387    0.0000 C   0  0
   -9.0560  -21.7745    0.0000 C   0  0
  -10.3479  -21.0106    0.0000 C   0  0
  -11.6563  -21.7441    0.0000 C   0  0
  -12.9458  -20.9779    0.0000 C   0  0
  -12.9270  -19.4780    0.0000 C   0  0
  -14.2188  -18.7141    0.0000 O   0  0
  -15.5261  -19.4496    0.0000 C   0  0
  -11.6187  -18.7444    0.0000 C   0  0
  -11.5968  -17.2437    0.0000 O   0  0
  -10.2874  -16.5119    0.0000 C   0  0
  -10.3291  -19.5106    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1821    3.0099    0.0000 O   0  0
    3.8794    3.7535    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  2  0
 18  9  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21  8  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 44 47  2  0
 47 48  1  0
 48 49  1  0
 47 50  1  0
 50 51  2  0
 51 42  1  0
 51 52  1  0
 52 38  1  0
 52 53  1  0
 53 54  1  0
 54 55  2  0
 55 56  1  0
 56 57  2  0
 57 58  1  0
 58 59  1  0
 57 60  1  0
 60 61  1  0
 61 62  1  0
 60 63  2  0
 63 54  1  0
  6 64  1  0
 64 65  2  0
 65  3  1  0
 65 66  1  0
 66 67  1  0
M  CHG  2  21   1  38   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12954

> <plate>
PLATE 026

> <well>
A4

> <supplier_cmpd_name>
Atracurium besylate

> <ctcr_id>
5896

> <supplier_cmpd_id>
T6397

> <smiles>
COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC

> <pd_targets>
{CHRNA4,CHRNA3,CHRNA1,CHRNA7,KCNN3,CHRNB1,CHRND,CHRNE,CHRNG,CHRNA2,CYP3A4,LMNA}

> <pathway_gtopdb>
{"Ion channel","Ligand-gated ion channel","Voltage-gated ion channel","Nicotinic acetylcholine receptor","Potassium channels","Nicotinic acetylcholine receptor alpha subunit","Calcium-activated potass
ium channel",Enzyme,"Other nuclear protein","Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{"Ion channels","Ligand-gated ion channels","Voltage-gated ion channels","Nicotinic acetylcholine receptors","Potassium channels","Calcium- and sodium-activated potassium channels",Enzymes,"Cytochrome
 P450","CYP3 family"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Potassium Channels","Neurotransmitter receptors and postsynaptic signal transmission","Ca2+ activated K+ channels","Acetylcholine binding an
d downstream events","Postsynaptic nicotinic acetylcholine receptors","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors",Metabolism,"Cell Cycle","Metabolism of lipids",Mitotic,"
Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Biosynthesis of maresins","Mitotic Anaphase","Biosynthesis of 
maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CHRNA2}

> <broad_moa>
{"acetylcholine receptor antagonist"}

> <synonyms>
{Atracurium,64228-79-1,64228791,Tracrium,"Atracurium Dibesylate",CHEMBL1360,CHEBI:2914,Atrcurium,UNII-2GQ1IRY63P,UNII2GQ1IRY63P,"BRN 1523633",C53H72N2O12,Prestwick1_000005,Prestwick1000005,Prestwick1-
000005,"Prestwick1 000005",Prestwick2_000005,Prestwick2000005,Prestwick2-000005,"Prestwick2 000005",Prestwick3_000005,Prestwick3000005,Prestwick3-000005,"Prestwick3 000005",2GQ1IRY63P,BSPBio_000009,BS
PBio000009,BSPBio-000009,"BSPBio 000009",SPBio_001930,SPBio001930,SPBio-001930,"SPBio 001930",BPBio1_00001,BPBio100001,BPBio1-00001,"BPBio1 00001",Prestw-5,"Atracurium besylate"}

> <pdid>
PD013187

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{47319}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 15 15  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  0
  9 10  1  1
 10 11  1  0
  9 12  1  0
 12 13  1  6
 12 14  1  0
 14  5  1  0
 14 15  1  1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12955

> <plate>
PLATE 026

> <well>
A5

> <supplier_cmpd_name>
N-Acetyl-D-Glucosamine

> <ctcr_id>
468

> <supplier_cmpd_id>
T4514

> <smiles>
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O

> <pd_targets>
{KLRB1A,NAGLU,AMPC}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Diseases of metabolism","Diseases of carbohydrate metabolism",Mucopolysaccharidoses,"MPS IIIB - Sanfilippo syndrome B"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{acetylglucosamine,N-Acetyl-beta-D-glucosamine,NAcetylbetaDglucosamine,N-acetylglucosamine,Nacetylglucosamine,2-acetamido-2-deoxy-beta-D-glucopyranose,2acetamido2deoxybetaDglucopyranose,Beta-N-Acetylg
lucosamine,BetaNAcetylglucosamine,betaGlcNAc,CHEBI:28009,GlcNAc-beta,GlcNAcbeta,"N-Acetyl Glucosamine","NAcetyl Glucosamine",N-((2R,N((2R,3R,4R,5S,6R)-2,6R)2,4,5-trihydroxy-6-(hydrox,5trihydroxy6(hydr
ox,T4514,T4725,T4708,1500715,N-Acetyl-D-Glucosamine,N-Acetyl-D-mannosamine,N-Acetyl-D-galactosamine,ACETYLGLUCOSAMINE}

> <pdid>
PD001620

> <targets>
{Endogenous Metabolite}

> <classes>
{antiarthritic,Metabolic Enzyme/Protease}

> <pubchem_cids>
{24139}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 38  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 C   0  0
   -4.2010   -3.2957    0.0000 N   0  0
   -4.9530   -1.9978    0.0000 N   0  0
   -3.9511   -0.8815    0.0000 C   0  0
   -4.2568    0.5878    0.0000 C   0  0
   -5.7171    0.9385    0.0000 C   0  0
   -6.1382    2.3782    0.0000 C   0  0
   -7.5955    2.7333    0.0000 Cl  0  0
   -5.1020    3.4627    0.0000 C   0  0
   -3.6446    3.1076    0.0000 C   0  0
   -2.6100    4.1948    0.0000 N   0  0
   -3.0334    5.6347    0.0000 S   0  0
   -1.9994    6.7214    0.0000 O   0  0
   -4.4914    5.9873    0.0000 O   0  0
   -3.4573    7.0736    0.0000 C   0  0
   -3.2235    1.6679    0.0000 C   0  0
   -1.7662    1.3123    0.0000 F   0  0
   -4.8110   -4.6641    0.0000 C   0  0
   -6.3028   -4.8211    0.0000 C   0  0
   -3.9296   -5.8778    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 16  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  2  0
 28 31  1  0
 26 32  2  0
 32 21  1  0
 32 33  1  0
 18 34  1  0
 34 35  1  0
 34 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12956

> <plate>
PLATE 026

> <well>
A6

> <supplier_cmpd_name>
Encorafenib

> <ctcr_id>
7884

> <supplier_cmpd_id>
T6487

> <smiles>
COC(=O)NC(C)CNc1nccc(n1)c2cn(nc2c3cc(Cl)cc(NS(=O)(=O)C)c3F)C(C)C

> <pd_targets>
{BRAF,MAPK14,CCND1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Kinase,"Protein Kinase","TKL protein kinase group","CMGC protein kinase group","TKL protein kinase RAF family","CMGC protein kinase MAPK family","CMGC protein kinase 
p38 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP k
inases)","RAF family","p38 subfamily"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Cell Cycle","Signaling by Receptor Tyrosine Kinases","Innate Immune System",Mitotic,"Signaling by NTRKs","Toll-like Receptor Cascades","Mitotic G1 phase and G1/
S transition","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","G1 Phase","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Cyclin D associated events in G1","Prolong
ed ERK activation events","MAP kinase activation","ARMS-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{BRAF}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{SCHEMBL8231398,CHEMBL4303479,HMS3653I05,HMS3743O11,AKOS032947259,SW220064-1,SW2200641,T6487,S7108,Encorafenib,LGX818}

> <pdid>
PD017930

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{70311789}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11  9  0  0  1  0            999 V2000
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0  1  0  0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 O   0  0
    6.5000    2.2500    0.0000 O   0  5
    5.2000   -1.5000    0.0000 N   0  0
   10.2999    0.3750    0.0000 Na  0  3
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  1  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  1
M  CHG  2   9  -1  11   1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12957

> <plate>
PLATE 026

> <well>
A7

> <supplier_cmpd_name>
L-Glutamic acid monosodium salt

> <ctcr_id>
11377

> <supplier_cmpd_id>
T6871

> <smiles>
C(CC(=O)O)[C@@H](C(=O)[O-])N.[Na+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"MONOSODIUM GLUTAMATE",142-47-2,142472,"Sodium glutamate","Sodium L-glutamate","Sodium Lglutamate","L-Glutamic acid, monosodium salt","LGlutamic acid, monosodium salt","Monosodium L-glutamate","Monos
odium Lglutamate","L-Glutamic acid sodium salt","LGlutamic acid sodium salt","Glutamic acid, sodium salt",Ajinomoto,Glutacyl,Glutavene,"L(+) Sodium",T6871,"L-Glutamic acid monosodium salt"}

> <pdid>

> <targets>
{mGluR1}

> <classes>
{Neuroscience}

> <pubchem_cids>
{23672308}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 35 37  0  0  1  0            999 V2000
    1.3053    4.8144    0.0000 C   0  0
    0.0000    4.0753    0.0000 C   0  0  1  0  0  0
   -1.2735    4.8394    0.0000 C   0  0
   -2.5641    4.0923    0.0000 C   0  0
   -3.8206    4.8394    0.0000 C   0  0
   -5.1281    4.0923    0.0000 C   0  0  1  0  0  0
   -5.8234    5.4214    0.0000 C   0  0
   -6.5884    3.3961    0.0000 O   0  0
   -5.1451    2.6150    0.0000 C   0  0  1  0  0  0
   -3.8206    1.8679    0.0000 C   0  0
   -3.8546    0.3736    0.0000 C   0  0  2  0  0  0
   -2.5810   -0.3566    0.0000 N   0  0
   -2.5810   -1.8339    0.0000 C   0  0
   -3.8805   -2.5831    0.0000 O   0  0
   -1.2905   -2.5810    0.0000 C   0  0
    0.0000   -1.8339    0.0000 C   0  0  2  0  0  0
    1.2995   -2.5831    0.0000 O   0  0
    0.0000   -0.3566    0.0000 C   0  0
    0.0375    1.1429    0.0000 C   0  0
   -1.2823   -1.1348    0.0000 C   0  0
    1.2735    0.3736    0.0000 C   0  0
    2.5714   -0.3784    0.0000 O   0  0
    1.2735    1.8509    0.0000 C   0  0  2  0  0  0
    2.5752    2.5963    0.0000 C   0  0
    0.0000    2.5980    0.0000 C   0  0  1  0  0  0
   -1.3016    1.8525    0.0000 O   0  0
   -5.1565   -0.3728    0.0000 C   0  0
   -6.4531    0.3815    0.0000 C   0  0
   -5.1619   -1.8736    0.0000 C   0  0
   -6.4639   -2.6201    0.0000 C   0  0
   -6.6092   -4.1003    0.0000 C   0  0
   -8.0780   -4.4048    0.0000 S   0  0
   -8.8214   -3.1020    0.0000 C   0  0
  -10.3124   -2.9377    0.0000 C   0  0
   -7.8122   -1.9923    0.0000 N   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  9  8  1  6
  9  6  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  1
 23 25  1  0
 25  2  1  0
 25 26  1  1
 11 27  1  6
 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12958

> <plate>
PLATE 026

> <well>
A8

> <supplier_cmpd_name>
Ixabepilone

> <ctcr_id>
5385

> <supplier_cmpd_id>
T6864

> <smiles>
C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)/C(C)=C/c3csc(C)n3

> <pd_targets>
{TUBB5,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <pathway_gtopdb>
{"Structural protein"}

> <pathway_chembl>
{"Other protein targets",Tubulins}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G2-G2/M phases","M Phase","G2/M Transition","Mitotic Metaphase and Anaphase","Centrosome maturation","Mitotic Anaphase","Loss of proteins required for interphase microtu
bule organization from the centrosome","Nuclear Envelope (NE) Reassembly","Loss of Nlp from mitotic centrosomes","Sealing of the nuclear envelope (NE) by ESCRT-III"}

> <broad_targets>
{TUBB}

> <broad_moa>
{"microtubule stabilizing agent"}

> <synonyms>
{Ixabepilone,219989-84-1,219989841,"Azaepothilone B",Ixempra,BMS-247550,BMS247550,"Aza-epothilone B","BMS 247550-1","BMS 2475501","BMS 247550-01","BMS 24755001",UNII-K27005NP0A,UNIIK27005NP0A,CHEBI:63
605,K27005NP0A,NSC747973,BMS-247550-01,BMS24755001,"BMS 247550","Ixempra (TN)","Ixempra kit","Ixempra (TM)",16-Aza-epot,16Azaepot,T6864,747973,"NSC 747973"}

> <pdid>
PD004104

> <targets>
{Apoptosis,Microtubule/Tubulin}

> <classes>
{Microtubule inhibitor,Apoptosis,Cell Cycle/DNA Damage,Cytoskeleton}

> <pubchem_cids>
{6445540}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4994   -0.7433    0.0000 C   0  0
   -7.7985   -1.4932    0.0000 C   0  0
   -7.7985   -2.9932    0.0000 C   0  0
   -6.4995   -3.7433    0.0000 C   0  0
   -5.2004   -2.9933    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  8 10  1  6
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12959

> <plate>
PLATE 026

> <well>
A9

> <supplier_cmpd_name>
L-KAWAIN

> <ctcr_id>
11378

> <supplier_cmpd_id>
T4590

> <smiles>
COC1=CC(=O)O[C@H](C1)\C=C\c1ccccc1

> <pd_targets>
{MAPT,AMPC,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Protease,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C1A family",Hydrolase,Oxidoreductase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs",Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Ethanol oxidation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{KAWAI,(R)-(+)-Kavain,(R)(+)Kavain,Kawain,kavain,Gonosan,500-64-1,500641,L-KAWAIN,LKAWAIN,(+)-Kavain,(+)Kavain,"Kavain, dl-","Kavain, dl",Kawaih,UNII-W1ES06373M,UNIIW1ES06373M,"NSC 112162",CHEBI:6117,
W1ES06373M,"(R)-5,6-Dihydro-4-methoxy-6-styryl-2H-pyran-2-one","(R)5,6Dihydro4methoxy6styryl2Hpyran2one","2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (+)-","2HPyran2one, 5,6dihydro4methoxy6styryl
, (+)",T4590}

> <pdid>
PD000206

> <targets>
{Monoamine transporter,GABA Receptor}

> <classes>
{Membrane transporter/Ion channel,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{5281565}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12960

> <plate>
PLATE 026

> <well>
A10

> <supplier_cmpd_name>
Chlorphenesin

> <ctcr_id>
11379

> <supplier_cmpd_id>
T4507

> <smiles>
OCC(O)COc1ccc(Cl)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"muscle relaxant"}

> <synonyms>
{AI3-24623,AI324623,chlorphenesin,104-29-0,104290,"3-(4-Chlorophenoxy)-1,2-propanediol","3(4Chlorophenoxy)1,2propanediol",Chlorophenesin,"3-(4-chlorophenoxy)propane-1,2-diol","3(4chlorophenoxy)propane
1,2diol",Adermykon,Gecophen,Demykon,Mycil,Chlorphenesinum,"p-Chlorophenyl glyceryl ether","pChlorophenyl glyceryl ether",Chlorphenesine,Clorfenesina,1,2-Pro,2Pro,T4507,Chlorphenesin}

> <pdid>
PD009685

> <targets>
{Histamine relase,Bacterial,Fungal}

> <classes>
{Immunology/Inflammation,Anti-infection}

> <pubchem_cids>
{7697}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    5.5018   -3.1369    0.0000 N   0  0
    4.0102   -3.2959    0.0000 C   0  0
    3.1255   -2.0835    0.0000 C   0  0
    1.6332   -2.2426    0.0000 C   0  0
    1.0255   -3.6140    0.0000 O   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 Zn  0  0
    0.0000    1.2760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -2.6401    0.8578    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0  2  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -3.1255   -2.0835    0.0000 C   0  0
   -4.1114   -3.1971    0.0000 C   0  0
   -5.4796   -2.5822    0.0000 N   0  0
   -5.3176   -1.0910    0.0000 C   0  0
   -3.8493   -0.7842    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11  6  1  0
 11 12  1  1
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12961

> <plate>
PLATE 026

> <well>
A11

> <supplier_cmpd_name>
Polaprezinc

> <ctcr_id>
11380

> <supplier_cmpd_id>
T4510

> <smiles>
NCCC(=O)N1[Zn]OC(=O)[C@@H]1Cc1cnc[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Polaprezinc,107667-60-7,107667607,"Zinc L-carnosine","Zinc Lcarnosine","beta-alanyl-L-histidinato zinc","betaalanylLhistidinato zinc",NCGC00181764-01,NCGC0018176401,DSSTox_CID_28541,DSSToxCID28541,DS
STox-CID-28541,"DSSTox CID 28541",DSSTox_RID_82813,DSSToxRID82813,DSSTox-RID-82813,"DSSTox RID 82813",DSSTox_GSID_48615,DSSToxGSID48615,DSSTox-GSID-48615,"DSSTox GSID 48615",CHEMBL3184454,DTXSID704861
5,Tox21_112950,Tox21112950,Tox21-112950,"Tox21 112950",DB09221,CAS-107667-60-7,CAS107667607,K-0585,K0585,667P607,T4510}

> <pdid>

> <targets>
{Others}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{51051629}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 32 36  0  0  1  0            999 V2000
   -5.8915   -3.6510    0.0000 F   0  0
   -7.3167   -4.1187    0.0000 C   0  0
   -7.6243   -5.5869    0.0000 C   0  0
   -9.0495   -6.0546    0.0000 C   0  0
   -9.3570   -7.5227    0.0000 F   0  0
  -10.1671   -5.0542    0.0000 C   0  0
   -9.8596   -3.5861    0.0000 C   0  0
  -10.9773   -2.5857    0.0000 F   0  0
   -8.4344   -3.1182    0.0000 C   0  0
   -8.1237   -1.6499    0.0000 C   0  0
   -6.6970   -1.1839    0.0000 N   0  0
   -6.3863    0.2844    0.0000 C   0  0
   -7.5023    1.2867    0.0000 O   0  0
   -4.9600    0.7500    0.0000 C   0  0
   -3.8400   -0.2700    0.0000 C   0  0
   -2.3500    0.1600    0.0000 N   0  0
   -1.2100   -0.8700    0.0000 C   0  0
    0.2700   -0.4100    0.0000 C   0  0  1  0  0  0
    1.2400   -1.6100    0.0000 O   0  0
    2.7900   -1.6100    0.0000 C   0  0  2  0  0  0
    3.7500   -0.4100    0.0000 C   0  0
    3.4200    1.0700    0.0000 C   0  0
    2.0000    1.7500    0.0000 C   0  0  1  0  0  0
    3.3900    0.2000    0.0000 C   0  0
    0.6000    1.0700    0.0000 N   0  0
   -0.5200    2.1200    0.0000 C   0  0
   -0.1809    3.5812    0.0000 O   0  0
   -1.9900    1.6700    0.0000 C   0  0
   -3.1300    2.7100    0.0000 C   0  0
   -2.7936    4.1718    0.0000 O   0  0
   -4.6200    2.2700    0.0000 C   0  0
   -5.7156    3.2945    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  0
 18 17  1  6
 18 19  1  0
 20 19  1  1
 20 21  1  0
 21 22  1  0
 23 22  1  1
 23 24  1  0
 24 20  1  0
 23 25  1  0
 25 18  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 16  1  0
 28 29  2  3
 29 30  1  0
 29 31  1  0
 31 14  1  0
 31 32  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12962

> <plate>
PLATE 026

> <well>
B2

> <supplier_cmpd_name>
Bictegravir

> <ctcr_id>
11381

> <supplier_cmpd_id>
T4493

> <smiles>
Fc5cc(F)cc(F)c5CNC(=O)C2=CN3C[C@H]4O[C@@H]1CC[C@@H](C1)N4C(=O)C3=C(O)C2=O

> <pd_targets>
{SLC22A2,POL}

> <pathway_gtopdb>
{Transporter,Enzyme,"Electrochemical transporter",Hydrolase,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC22 family of organic cation and anion transporters","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Transport of small molecules","SLC-mediated transmembrane transport","Transport of bile salts and organic acids","metal ions and amine compounds","Organic cation/anion/zwitterion transport","Organic
 cation transport"}

> <broad_targets>
{}

> <broad_moa>
{"HIV integrase inhibitor"}

> <synonyms>
{Bictegravir,1611493-60-7,1611493607,GS-9883,GS9883,UNII-8GB79LOJ07,UNII8GB79LOJ07,8GB79LOJ07,GS-9883-01,GS988301,"1611493-60-7 (free acid)","1611493607 (free acid)","Bictegravir (INN)","Bictegravir (
USAN:INN)","GS 9883","Bictegravir (USAN/INN)",CHEMBL3989866,SCHEMBL15914278,BDBM330048,AMY12383,BCP25703,EX-A31,EXA31,T4493}

> <pdid>
PD058975

> <targets>
{HIV-I integrase,HIV,HIV Integrase}

> <classes>
{Microbiology&virology,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{90311989}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0136   -6.0070    0.0000 C   0  0
    1.2894   -5.2638    0.0000 O   0  0
   -0.0210   -7.5070    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12963

> <plate>
PLATE 026

> <well>
B3

> <supplier_cmpd_name>
Clonixin

> <ctcr_id>
11382

> <supplier_cmpd_id>
T4542

> <smiles>
Cc1c(Cl)cccc1Nc1ncccc1C(O)=O

> <pd_targets>
{DHODH,RORC}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Oxidoreductase,"Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F mem
ber 3"}

> <pathway_chembl>
{Enzymes,Receptors,"1.-.-.- Oxidoreductases","Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of nucleotides","RNA Polymerase II Transcription","Nucleobase biosynthesis","Generic Transcription Pathway","Pyrimidine biosynthesis","Transcr
iptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{CLONIXIN,17737-65-4,17737654,"Clonixic acid",Chlonixin,Clonixine,"Sch 10304",Deltar,Clonixino,Clonixinum,"2-(3-Chloro-o-toluidino)nicotinic acid","2(3Chlorootoluidino)nicotinic acid","2-(3-Chloro-2-m
ethylanilino)nicotinic acid","2(3Chloro2methylanilino)nicotinic acid","2-(2'-Methyl-3'-chloro)anilinonicotinic acid","2(2'Methyl3'chloro)anilinonicotinic acid",UNII-V7DXN0M42R,UNIIV7DXN0M42R,T4542,Clo
nixin}

> <pdid>
PD000098

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{28718}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1072    0.0000    0.0000 C   0  0
   -5.9493    1.2353    0.0000 C   0  0
   -7.4450    1.1224    0.0000 C   0  0
   -8.2907    2.3613    0.0000 Cl  0  0
   -8.0952   -0.2294    0.0000 C   0  0
   -7.2495   -1.4683    0.0000 C   0  0
   -7.8997   -2.8201    0.0000 Cl  0  0
   -5.7538   -1.3554    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
 11 12  2  0
 12  4  1  0
  9 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 13  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12964

> <plate>
PLATE 026

> <well>
B4

> <supplier_cmpd_name>
Tafamidis

> <ctcr_id>
11383

> <supplier_cmpd_id>
T4565

> <smiles>
OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1

> <pd_targets>
{TTR,ALB}

> <pathway_gtopdb>
{"Secreted protein"}

> <pathway_chembl>
{"Other protein targets",Transthyretin}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by GPCR","Metabolism of lipids","GPCR downstream signalling","Metabolism of steroids","G alpha (i) signalling events","Bile acid and bile salt metabolism",
"Visual phototransduction","Recycling of bile acids and salts","The canonical retinoid cycle in rods (twilight vision)"}

> <broad_targets>
{TTR}

> <broad_moa>
{"transthyretin amyloid inhibitor"}

> <synonyms>
{TAFAMIDIS,594839-88-0,594839880,"2-(3,5-Dichlorophenyl)-1,3-Benzoxazole-6-Carboxylic Acid","2(3,5Dichlorophenyl)1,3Benzoxazole6Carboxylic Acid",FX-1006,FX1006,"2-(3,5-Dichlorophenyl)-6-benzoxazole ca
rboxylic acid","2(3,5Dichlorophenyl)6benzoxazole carboxylic acid",Vyndamax,UNII-8FG9H9D31J,UNII8FG9H9D31J,CHEBI:78538,8FG9H9D31J,"594839-88-0 (free acid)","594839880 (free acid)",C14H7Cl2NO3,2-(3,2(3,
5-dichlor,5dichlor,T4565,Tafamidis}

> <pdid>
PD046659

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{11001318}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 51 55  0  0  1  0            999 V2000
    7.5906    2.5895    0.0000 O   0  0
    6.0997    2.4249    0.0000 C   0  0
    5.2115    3.6348    0.0000 C   0  0  1  0  0  0
    5.8144    5.0092    0.0000 N   0  0
    4.9262    6.2190    0.0000 C   0  0
    3.4353    6.0544    0.0000 O   0  0
    5.5291    7.5935    0.0000 O   0  0
    4.6409    8.8033    0.0000 C   0  0
    5.2434   10.1770    0.0000 C   0  0
    3.1500    8.6387    0.0000 C   0  0
    3.7527   10.0121    0.0000 C   0  0
    3.7194    3.4731    0.0000 C   0  0
    2.8331    4.6833    0.0000 C   0  0
    2.2282    3.3109    0.0000 C   0  0
    3.1141    2.1007    0.0000 C   0  0
    5.4979    1.0528    0.0000 N   0  0
    4.0317    0.7359    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0031    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 Cl  0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2526   -1.3618    0.0000 C   0  0
    6.2524   -0.2436    0.0000 C   0  0  1  0  0  0
    7.7433   -0.3919    0.0000 C   0  0
    8.3605   -1.7590    0.0000 O   0  0
    8.6194    0.8266    0.0000 N   0  0
   10.1133    0.6780    0.0000 C   0  0  2  0  0  0
   11.2767   -0.0758    0.0000 C   0  0
    9.9097   -0.6933    0.0000 C   0  0  1  0  0  0
    9.0162   -1.8865    0.0000 C   0  0
    9.6051   -3.2661    0.0000 C   0  0
   10.9891    1.8967    0.0000 C   0  0
   10.3714    3.2637    0.0000 O   0  0
   12.4826    1.7486    0.0000 N   0  0
   13.3584    2.9674    0.0000 S   0  0
   11.8658    3.1162    0.0000 O   0  0
   12.7407    4.3343    0.0000 O   0  0
   14.8519    2.8193    0.0000 C   0  0
   15.9795    1.9538    0.0000 C   0  0
   16.1276    3.4464    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  6
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  3 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
  2 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  1
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 20  1  0
 32 26  1  0
 18 33  1  0
 33 34  1  0
 34 16  1  0
 34 35  1  6
 35 36  2  0
 35 37  1  0
 38 37  1  6
 38 39  1  0
 39 40  1  0
 40 38  1  0
 40 41  1  1
 41 42  2  0
 38 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  0
 46 47  2  0
 46 48  2  0
 46 49  1  0
 49 50  1  0
 50 51  1  0
 51 49  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12965

> <plate>
PLATE 026

> <well>
B5

> <supplier_cmpd_name>
Asunaprevir

> <ctcr_id>
11384

> <supplier_cmpd_id>
T4474

> <smiles>
O=C([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)N5C[C@H](Oc1ncc(OC)c2ccc(Cl)cc12)C[C@H]5C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4

> <pd_targets>
{NS3,NS4A}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease PA clan","Serine protease S29 family","Serine protease S29 regulatory subfamily"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"HCV inhibitor"}

> <synonyms>
{BCP08230,Asunaprevir,BMS-650032,BMS650032,630420-16-5,630420165,"BMS 650032",UNII-S9X0KRJ00S,UNIIS9X0KRJ00S,S9X0KRJ00S,"Asunaprevir (BMS-650032)","Asunaprevir (BMS650032)","Asunaprevir (USAN:INN)",Su
nvepratrade,"Sunvepra (TN)",2R9,"Asunaprevir (JAN/USAN)","Asunaprevir; BMS-650032","Asunaprevir; BMS650032",SCHEMBL26306,T4474}

> <pdid>
PD053676

> <targets>
{HCV NS3/4A protease,HCV,HCV Protease,SARS-CoV}

> <classes>
{Proteases/Proteasome,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{16076883}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
  -10.3884   -1.5226    0.0000 Cl  0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -7.7851   -3.0136    0.0000 Cl  0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
  5 18  1  0
 18 19  2  0
 19  2  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12966

> <plate>
PLATE 026

> <well>
B6

> <supplier_cmpd_name>
Triclocarban

> <ctcr_id>
11385

> <supplier_cmpd_id>
T4504

> <smiles>
Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1

> <pd_targets>
{NLRP3,RORC,LMNA,HTT,NPC1,EPHX2,EPHX1,KMT2A,MEN1,FABI,SLC2A1,LMGT2}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor","Other nuclear protein",Transporter,Enzyme,"Epigenetic regulator","Nuclear receptor",Protease,Reader,Hydrolase,Oxidoreductase,"Nuclear hormone receptor s
ubfamily 1","Serine protease",Bromodomain,"Nuclear hormone receptor subfamily 1 group F","Serine protease SC clan","Nuclear hormone receptor subfamily 1 group F member 3","Serine protease S33 family",
"Electrochemical transporter","SLC superfamily of solute carriers","SLC02 family of hexose and sugar alcohol transporters"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Catalytic receptors","Nuclear hormone receptors","SLC superfamily of solute carriers",Hydrolases,"Pattern recognition receptors","1F. Retinoic acid-related orphans","S
LC65 NPC-type cholesterol transporters","NOD-like receptor family","SLC2 family of hexose and sugar alcohol transporters","Class I transporters"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Transport of small molecules",Metabolism,"Infectious disease","RNA Polymerase II Transcription",Mitotic,"Plasma lipoprotein assembly",remodelin
g,"and clearance","Metabolism of lipids","Biological oxidations","Leishmania infection","Generic Transcription Pathway","M Phase","Plasma lipoprotein clearance","Biosynthesis of specialized proresolvi
ng mediators (SPMs)","Phase I - Functionalization of compounds","Cell recruitment (pro-inflammatory response)","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Transcriptional R
egulation by MECP2","LDL clearance","Biosynthesis of DHA-derived SPMs","Purinergic signaling in leishmaniasis infection","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Regula
tion of MECP2 expression and activity","Biosynthesis of maresins","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation","Disorders of transmembrane transporters","SLC tr
ansporter disorders","Defective SLC2A1 causes GLUT1 deficiency syndrome 1 (GLUT1DS1)"}

> <broad_targets>
{}

> <broad_moa>
{"other antibiotic"}

> <synonyms>
{Triclocarban,101-20-2,101202,"1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea","1(4Chlorophenyl)3(3,4dichlorophenyl)urea",Solubacter,Cutisan,"3,4,4'-TRICHLOROCARBANILIDE","3,4,4'TRICHLOROCARBANILIDE",P
rocutene,Genoface,Trilocarban,Cusiter,"N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea","N(4Chlorophenyl)N'(3,4dichlorophenyl)urea",Trichlorocarbanilide,3,4,4'-Trichl,4'Trichl,T4504}

> <pdid>
PD014559

> <targets>
{Bacterial}

> <classes>
{Microbiology&virology}

> <pubchem_cids>
{7547}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 60 66  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.6003    1.4978    0.0000 O   0  0
    3.8990    0.7455    0.0000 C   0  0
    3.8964   -0.7545    0.0000 O   0  0
    5.2003    1.4932    0.0000 C   0  0
    6.4994    0.7433    0.0000 C   0  0
    7.7985    1.4933    0.0000 C   0  0
    7.7985    2.9933    0.0000 C   0  0
    6.4995    3.7433    0.0000 N   0  0
    5.2004    2.9933    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    2.6016    2.9971    0.0000 O   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6060    6.0003    0.0000 C   0  0
    2.6060    7.5003    0.0000 C   0  0
    1.3070    8.2503    0.0000 C   0  0
    0.0079    7.5003    0.0000 N   0  0
    0.0079    6.0003    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -1.2948    3.7516    0.0000 O   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8934    5.2570    0.0000 C   0  0
   -5.1924    6.0070    0.0000 C   0  0
   -6.4915    5.2571    0.0000 C   0  0
   -6.4915    3.7571    0.0000 N   0  0
   -5.1925    3.0070    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -3.8964    0.7545    0.0000 O   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4994   -0.7433    0.0000 C   0  0
   -7.7985   -1.4932    0.0000 C   0  0
   -7.7985   -2.9932    0.0000 C   0  0
   -6.4995   -3.7433    0.0000 N   0  0
   -5.2004   -2.9933    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 N   0  0
   -0.0079   -6.0003    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 N   0  0
    5.1925   -3.0070    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  5 15  1  0
 15 16  1  6
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 15 25  1  0
 25 26  1  1
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 25 35  1  0
 35 36  1  1
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 39  1  0
 35 45  1  0
 45  4  1  0
 45 46  1  1
 46 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  2  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 49  1  0
  2 55  1  0
 55 56  2  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 59 60  2  0
 60 55  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12967

> <plate>
PLATE 026

> <well>
B7

> <supplier_cmpd_name>
Inositol nicotinate

> <ctcr_id>
11386

> <supplier_cmpd_id>
T4509

> <smiles>
O=C(O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1

> <pd_targets>
{HCAR3,HCAR2}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Carboxylic acid receptor","Hydroxycarboxylic acid receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Hydroxycarboxylic acid receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Hydroxycarboxylic acid-binding receptors"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"Inositol niacinate","Inositol nicotinate","inositol hexanicotinate",6556-11-2,6556112,Hexanicotol,Dilexpal,"myo-Inositol hexanicotinate","myoInositol hexanicotinate",Mesotal,"Hexanicotinoyl inositol
",Hamovannad,"Win 9154","cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate","cyclohexane1,2,3,4,5,6hexayl hexanicotinate",T4509}

> <pdid>
PD072056

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3720}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    0.0661  -14.8756    0.0000 F   0  0
   -0.3913  -13.4470    0.0000 C   0  0
   -1.8573  -13.1293    0.0000 F   0  0
   -1.3996  -14.5576    0.0000 F   0  0
    0.6170  -12.3354    0.0000 C   0  0
    2.0831  -12.6526    0.0000 C   0  0
    3.0909  -11.5415    0.0000 C   0  0
    2.6325  -10.1133    0.0000 C   0  0
    1.1665   -9.7960    0.0000 C   0  0
    0.7050   -8.3678    0.0000 N   0  0
   -0.7624   -8.0525    0.0000 C   0  0
   -1.7662   -9.1671    0.0000 N   0  0
   -3.2334   -8.8550    0.0000 C   0  0
   -3.6967   -7.4283    0.0000 C   0  0
   -2.6928   -6.3138    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.2443   -5.8182    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 O   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.1587  -10.9071    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 20  1  0
 29 24  1  0
  9 30  2  0
 30  5  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12968

> <plate>
PLATE 026

> <well>
B8

> <supplier_cmpd_name>
Talniflumate

> <ctcr_id>
11387

> <supplier_cmpd_id>
T4503

> <smiles>
FC(F)(F)c1cccc(Nc2ncccc2C(=O)OC2OC(=O)c3ccccc23)c1

> <pd_targets>
{PTGS1,PTGS2,CLCNKA}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Ion channels","Eicosanoid turnover","Other ion channels",Cyclooxygenase,"Chloride channels","ClC family"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Metabolism of lipids","Ion channel transport","Fatty acid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Stimuli-sensing channels"
,"Arachidonic acid metabolism","Biosynthesis of DPA-derived SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of DPAn-3 SPMs"}

> <broad_targets>
{CLCA1}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{CAS-66898-62-2,CAS66898622,Talniflumate,66898-62-2,66898622,Somalgen,Lomucin,Talniflumato,"BA 7602-06","BA 760206","Phthalidyl 2-(3-trifluoromethylanilino)nicotinate","Phthalidyl 2(3trifluoromethylan
ilino)nicotinate","BA7602-06; Somalgen","BA760206; Somalgen",Ba-7602-06,Ba760206,NCGC00167754-01,NCGC0016775401,DSSTox_CID_26740,DSSToxCID26740,DSSTox-CID-26740,"DSSTox CID 26740",DSSTox_RID_81869,DSS
ToxRID81869,DSSTox-RID-81869,"DSSTox RID 81869",DSSTox_GSID_46740,DSSToxGSID46740,DSSTox-GSID-46740,"DSSTox GSID 46740",Talnifl,T4503}

> <pdid>
PD009267

> <targets>
{hCLCA1/mCLCA3,COX,Cl-/HCO3- exchanger,GCNT3,Chloride Channel}

> <classes>
{Membrane transporter/Ion channel,Immunology/Inflammation,Metabolism,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{48229}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 23 22  0  0  0  0            999 V2000
    7.5973   -0.0102    0.0000 H   0  3
    5.0973   -0.0102    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4978    0.0000 C   0  0
   -3.8991    0.7455    0.0000 N   0  0
   -3.8934   -0.7554    0.0000 C   0  0
   -2.5913   -1.5017    0.0000 C   0  0
   -2.5857   -3.0025    0.0000 N   0  0
   -1.2844   -3.7485    0.0000 C   0  0
   -3.8822   -3.7570    0.0000 C   0  0
   -5.2003    1.4933    0.0000 C   0  0
   -5.2076    2.9933    0.0000 N   0  0
   -6.5102    3.7370    0.0000 C   0  0
   -7.8056    2.9808    0.0000 C   0  0
   -7.7984    1.4808    0.0000 C   0  0
   -6.4958    0.7371    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 10 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
  8 22  1  0
 22 23  2  0
 23  5  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12969

> <plate>
PLATE 026

> <well>
B9

> <supplier_cmpd_name>
Thonzylamine

> <ctcr_id>
1545

> <supplier_cmpd_id>
T4563

> <smiles>
[H+].[Cl-].COc1ccc(CN(CCN(C)C)c2ncccn2)cc1

> <pd_targets>
{MAPT,LMNA,HRH1,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5}

> <pathway_gtopdb>
{"Other cytosolic protein","Other nuclear protein","Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Histamine receptor","Acetyl
choline receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Histamine receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"Neuronal System","Cell Cycle","Signal Transduction","Transmission across Chemical Synapses",Mitotic,"Signaling by GPCR","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","G
PCR ligand binding","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Post NMDA receptor activation events","Mitotic Anaph
ase","Amine ligand-binding receptors","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Histamine receptors","Muscarinic acetylcholine receptors","Initiation of Nuclear Env
elope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{antihistamine}

> <synonyms>
{"THONZYLAMINE HYDROCHLORIDE",63-56-9,63569,"Neohetramine hydrochloride",thonzylaminehydrochloride,"Thonzylamine HCl",UNII-6K9YKD48Y4,UNII6K9YKD48Y4,"Thonzylamine (hydrochloride)",6K9YKD48Y4,Anahist,2
-((2-(Dimethylamino)ethyl)(p-methoxybenzyl)amin,2((2(Dimethylamino)ethyl)(pmethoxybenzyl)amin,T4563,1503135,Thonzylamine}

> <pdid>
PD013508

> <targets>
{}

> <classes>
{antihistamine}

> <pubchem_cids>
{57514741,67108302,6136}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.5532   -4.4223    0.0000 O   0  0
    1.8032   -3.1233    0.0000 Bi  0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 O   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3032    3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  4  1  0
 10 11  1  0
 11  2  1  0
  6 12  1  0
 12 13  1  0
 12 14  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12970

> <plate>
PLATE 026

> <well>
B10

> <supplier_cmpd_name>
BISMUTH SUBGALLATE

> <ctcr_id>
11388

> <supplier_cmpd_id>
T4502

> <smiles>
O[Bi]1Oc2cc(cc(O)c2O1)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{NOS1}

> <broad_moa>
{"nitric oxide synthase inhibitor"}

> <synonyms>
{"BISMUTH SUBGALLATE",99-26-3,99263,Wismutgallathydroxid,Bismuthsubgallate,"Gallic acid bismuth basic salt","2,7-dihydroxy-1,3,2-benzodioxabismole-5-carboxylic acid","2,7dihydroxy1,3,2benzodioxabismol
e5carboxylic acid","1,3,2-Benzodioxabismole-5-carboxylic acid, 2,7-dihydroxy-","1,3,2Benzodioxabismole5carboxylic acid, 2,7dihydroxy","Dermatol puder",T4502}

> <pdid>
PD072045

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{16682999}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 52 58  0  0  1  0            999 V2000
    2.6046    5.6210    0.0000 O   0  0
    1.1605    6.0266    0.0000 S   0  0
    1.5316    4.5732    0.0000 O   0  0
    0.0869    4.9778    0.0000 N   0  0
    0.4575    3.5235    0.0000 C   0  0
    1.9017    3.1179    0.0000 O   0  0
   -0.6000    2.4800    0.0000 C   0  0  1  0  0  0
   -1.8600    3.3500    0.0000 C   0  0
   -2.0200    1.8400    0.0000 C   0  0  1  0  0  0
   -3.4300    2.4800    0.0000 C   0  0
   -4.6500    1.5500    0.0000 C   0  0
   -3.7100    0.3100    0.0000 C   0  0
   -4.6300   -0.9600    0.0000 C   0  0
   -3.5200   -2.0400    0.0000 C   0  0
   -1.9200   -2.0400    0.0000 C   0  0
   -0.6000   -2.8300    0.0000 N   0  0
   -0.4536   -4.3228    0.0000 C   0  0
    0.5400   -1.8000    0.0000 C   0  0
   -0.1530   -0.4697    0.0000 O   0  0
    2.0200   -1.4600    0.0000 C   0  0  2  0  0  0
    3.3300   -2.3100    0.0000 C   0  0
    4.5100   -1.3200    0.0000 C   0  0  1  0  0  0
    4.0400    0.0000    0.0000 C   0  0
    2.4100    0.0000    0.0000 C   0  0  1  0  0  0
    2.1500    1.5600    0.0000 C   0  0
    3.1652    2.6642    0.0000 O   0  0
    0.4300    1.7000    0.0000 N   0  0
    5.9637   -1.6862    0.0000 O   0  0
    6.3755   -3.1294    0.0000 C   0  0
    5.3296   -4.2047    0.0000 C   0  0
    5.7377   -5.6480    0.0000 C   0  0
    7.1918   -6.0163    0.0000 N   0  0
    8.2378   -4.9411    0.0000 C   0  0
    9.6919   -5.3093    0.0000 C   0  0
   10.1001   -6.7527    0.0000 C   0  0
   10.7378   -4.2341    0.0000 C   0  0
   12.1935   -4.5995    0.0000 O   0  0
   13.2379   -3.5228    0.0000 C   0  0
   10.3296   -2.7907    0.0000 C   0  0
    8.8755   -2.4225    0.0000 C   0  0
    7.8296   -3.4977    0.0000 C   0  0
    4.6913   -6.7238    0.0000 C   0  0
    3.2215   -6.4963    0.0000 N   0  0
    2.5612   -7.8431    0.0000 C   0  0
    3.6380   -8.8873    0.0000 C   0  0
    4.9639   -8.1859    0.0000 S   0  0
    1.0857   -8.1033    0.0000 C   0  0
    0.5718   -9.5125    0.0000 C   0  0
    0.1219   -6.9539    0.0000 C   0  0
    0.7899    7.4809    0.0000 C   0  0
   -0.2350    8.4659    0.0000 C   0  0
    1.2185    8.8363    0.0000 C   0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  7  5  1  6
  7  8  1  0
  9  8  1  1
  9  7  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  1
 21 22  1  0
 22 23  1  0
 24 23  1  6
 24 20  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27  7  1  0
 22 28  1  1
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 36 39  2  0
 39 40  1  0
 40 41  2  0
 41 33  1  0
 41 29  1  0
 31 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 42  1  0
 44 47  1  0
 47 48  1  0
 47 49  1  0
  2 50  1  0
 50 51  1  0
 51 52  1  0
 52 50  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12971

> <plate>
PLATE 026

> <well>
B11

> <supplier_cmpd_name>
Simeprevir

> <ctcr_id>
11389

> <supplier_cmpd_id>
T4686

> <smiles>
O=S(=O)(NC(=O)[C@]16C[C@H]6C=CCCCCN(C)C(=O)[C@@H]2C[C@@H](C[C@H]2C(=O)N1)Oc4cc(nc3c(C)c(OC)ccc34)c5nc(cs5)C(C)C)C7CC7

> <pd_targets>
{NS3,NS4A,CTSS}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Protease,"Serine protease","Cysteine protease","Serine protease PA clan","Cysteine protease CA clan","Serine protease S29 family","Cysteine protease C1A family","Serine 
protease S29 regulatory subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","Peptidases and proteinases","Viral protein targets","CA: Cysteine (C) Peptidases","Other viral proteins","C1: Papain"}

> <pathway_reactome>
{"Immune System","Adaptive Immune System","Class I MHC mediated antigen processing & presentation","Antigen processing-Cross presentation","Endosomal/Vacuolar pathway"}

> <broad_targets>
{CYP1A2,CYP3A4}

> <broad_moa>
{"HCV inhibitor"}

> <synonyms>
{923604-59-5,923604595,SCHEMBL17714640,DTXSID20919221,T4686,Simeprevir}

> <pdid>
PD039117

> <targets>
{HCV NS3/4A protease,HCV,HCV Protease,SARS-CoV}

> <classes>
{Microbiology&virology,Anti-infection,Metabolic Enzyme/Protease}

> <pubchem_cids>
{74787539}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 21  0  0  0  0            999 V2000
    5.2029   -2.9932    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4983   -0.7414    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -3.8964    0.7545    0.0000 O   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -5.2029   -2.9932    0.0000 O   0  0
   -6.4983   -0.7414    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
    0.0000    3.0008    0.0000 C   0  0
    0.0000    4.5008    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 11 18  2  0
 18  7  1  0
 18 19  1  0
  9 20  1  0
 20 21  3  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12972

> <plate>
PLATE 026

> <well>
C2

> <supplier_cmpd_name>
Lodoxamide

> <ctcr_id>
11390

> <supplier_cmpd_id>
T4566

> <smiles>
OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N

> <pd_targets>
{GPR35}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Carboxylic acid receptor","Kynurenic acid receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Orphan and other 7TM receptors","Class A Orphans"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)"}

> <broad_targets>
{}

> <broad_moa>
{"histamine receptor antagonist"}

> <synonyms>
{Lodoxamide,53882-12-5,53882125,UNII-SPU695OD73,UNIISPU695OD73,Alomide,"U-42585E (free acid)","U42585E (free acid)",SPU695OD73,Lodoxamidum,"Alomide (TN)","2,2'-((2-Chloro-5-cyano-1,3-phenylene)bis(aza
nediyl))bis(2-oxoacetic acid)","2,2'((2Chloro5cyano1,3phenylene)bis(azanediyl))bis(2oxoacetic acid)",Lodoxamida,"Lodoxamide (INN:BAN)","Lodoxamidum (INN-Latin)","Lodoxamidum (INNLatin)",T4566}

> <pdid>
PD009224

> <targets>
{"Histamine Receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{44564}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    7.7998   -2.9895    0.0000 C   0  0
    6.5010   -3.7399    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Br  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 11  1  0
 18 19  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12973

> <plate>
PLATE 026

> <well>
C3

> <supplier_cmpd_name>
5-Chloro-2-methoxyprocainamide

> <ctcr_id>
2202

> <supplier_cmpd_id>
T4616

> <smiles>
CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC

> <pd_targets>
{CYP2D6,AMPC,CYP1A2,DRD2,RAB9A,HTR4,HTR3A,HTR3B,HTR2A,ADRA1A,ADRA1B,ADRA1D,DRD3,HTR2B,HTR2C,HTR3C,HTR3D,HTR3E,LMNA,ADRA2C,CHRM1,HTR6,ESR2,HTR1A,HTR1B,HTR1D,HTR1F,ADRA2A,ADRA2B,ALB,MPO,ALDH1A1,SLC22A1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrom
e P450 family 2D","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 2D6","Cytochrome P450 1A1","Dopamine receptor","Ion channel","Other nuclear protein","Transcription factor","Secrete
d protein",Transporter,"Ligand-gated ion channel","Nuclear receptor",Oxidoreductase,"Electrochemical transporter","5HT3 receptor","Nuclear hormone receptor subfamily 3","SLC superfamily of solute carr
iers","Nuclear hormone receptor subfamily 3 group A","SLC22 family of organic cation and anion transporters","Serotonin receptor","Adrenergic receptor","Acetylcholine receptor","Nuclear hormone recept
or subfamily 3 group A member 2"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP1 family","Dopamine receptors","Ion channels",Transporters,"Ligand-gated ion channels","N
uclear hormone receptors","1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","5-Hydroxytryptamine receptors","5-HT<sub>3</sub> receptors",Adrenoceptors,"Acetylcholine receptors (muscarinic
)","Steroid hormone receptors","SLC22 family of organic cation and anion transporters","3A. Estrogen receptors","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Biological oxidations","Signaling by GPCR","Phase I - Functionalization of compounds","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Class A/1
 (Rhodopsin-like receptors)",Xenobiotics,"Amine ligand-binding receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Dopamine receptors",Disease,"Cell Cycle
","Neuronal System","Immune System","Transport of small molecules","Signaling by Rho GTPases","Infectious disease",Mitotic,"Transmission across Chemical Synapses","Intracellular signaling by second me
ssengers","Metabolism of lipids","Innate Immune System","SLC-mediated transmembrane transport","Rho GTPase cycle","Leishmania infection","M Phase","Neurotransmitter receptors and postsynaptic signal t
ransmission","PIP3 activates AKT signaling","Metabolism of steroids","ROS and RNS production in phagocytes","Transport of bile salts and organic acids","metal ions and amine compounds","RHOBTB GTPase 
Cycle","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Negative regulation of the PI3K/AKT network","Bile acid and bile salt metabolism","Events associated with phagocytoly
tic activity of PMN cells","Ethanol oxidation","Organic cation/anion/zwitterion transport","RHOBTB3 ATPase cycle","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase
",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Recycling of bile acids and salts","Organic cation transport","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors","Nucle
ar Envelope (NE) Reassembly",Adrenoceptors,"Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CHRM1,DRD2,HTR3A,HTR3B,HTR4}

> <broad_moa>
{"dopamine receptor antagonist","serotonin receptor antagonist"}

> <synonyms>
{bromopride,4093-35-0,4093350,Artomey,Valopride,Bromoprida,Viaben,"VAL 13081",4-Amino-5-bromo-N-(2-(diethylamino)ethyl)-o-anisamide,4Amino5bromoN(2(diethylamino)ethyl)oanisamide,UNII-75473V2YZK,UNII75
473V2YZK,4-Amino-5-bromo-N-(2-(diethylamino)ethyl)-2-methoxybenzamide,4Amino5bromoN(2(diethylamino)ethyl)2methoxybenzamide,Emepride,75473V2YZK,NCGC00016646-02,NCGC0001664602,CAS-4093,CAS4093,T1175,T10
69,T4616,1503108,Prestw-704,Bromopride,"Metoclopramide hydrochloride",5-Chloro-2-methoxyprocainamide,BROMOPRIDE}

> <pdid>
PD001072

> <targets>
{}

> <classes>
{antiemetic}

> <pubchem_cids>
{2446}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 18 19  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0  1  0  0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 C   0  0  2  0  0  0
    1.6261    6.5033    0.0000 O   0  0
   -0.7537    5.2860    0.0000 C   0  0  1  0  0  0
   -1.6337    6.4985    0.0000 C   0  0
   -1.0238    7.8689    0.0000 O   0  0
   -1.2149    3.8587    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  6
 11 12  1  0
 10 13  1  0
 13  6  1  0
  5 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17  3  1  0
 17 18  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12974

> <plate>
PLATE 026

> <well>
C4

> <supplier_cmpd_name>
Edoxudine

> <ctcr_id>
11391

> <supplier_cmpd_id>
T4374

> <smiles>
CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

> <pd_targets>
{UL23,LMNA,DNAPOL}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA directed DNA polymerase inhibitor"}

> <synonyms>
{edoxudine,5-Ethyl-2'-deoxyuridine,5Ethyl2'deoxyuridine,15176-29-1,15176291,2'-Deoxy-5-ethyluridine,2'Deoxy5ethyluridine,5-Ethyldeoxyuridine,5Ethyldeoxyuridine,Epoxudine,Aedurid,UNII-15ZQM81Y3R,UNII15
ZQM81Y3R,"ORF 15817","RWJ 15817",EUDR,MLS000069564,15ZQM81Y3R,CHEMBL318153,"Uridine, 2'-deoxy-5-ethyl-","Uridine, 2'deoxy5ethyl",SMR000058816,"Edoxudinum (L",T4374,Edoxudine}

> <pdid>
PD013548

> <targets>
{Antiviral}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{66377}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 S   0  0
    1.2810    2.2196    0.0000 O   0  0
   -0.0353    4.4996    0.0000 O   0  0
   -3.8978    3.7504    0.0000 C   0  0
   -4.6715    4.8039    0.0000 C   0  0
   -6.1242    4.9636    0.0000 C   0  0
   -5.4972    6.2140    0.0000 C   0  0
   -5.1900    3.8983    0.0000 C   0  0
   -6.4614    3.3553    0.0000 C   0  0
   -7.2902    4.4566    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 12 14  2  0
 10 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 19 20  1  0
 20 21  2  3
 21 17  1  0
  8 22  1  0
 22 23  2  0
 23  5  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12975

> <plate>
PLATE 026

> <well>
C5

> <supplier_cmpd_name>
Cyclothiazide

> <ctcr_id>
5239

> <supplier_cmpd_id>
T4573

> <smiles>
N[S](=O)(=O)c1cc2c(NC(N[S]2(=O)=O)C3CC4CC3C=C4)cc1Cl

> <pd_targets>
{GRIA3,THRB,FTL,GRIA1,GRIA4,LMNA,BLM,GRIA2,RECQL,SLC12A3,FXYD2,CA1,CA2,SFRP4,CA13,CA14,CA3,CA4,CA5A,CA5B,CA6,CA7,CA9,PKM}

> <pathway_gtopdb>
{"Ion channel","Transcription factor","Unclassified protein","Other nuclear protein",Enzyme,Transporter,"Ligand-gated ion channel","Nuclear receptor","Electrochemical transporter",Lyase,"Ionotropic gl
utamate receptor","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","AMPA receptor","Nuclear hormone receptor subfamily 1 group A","SLC12 family of cation-coupled chloride tr
ansporters","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{"Ion channels",Receptors,Transporters,Enzymes,"Ligand-gated ion channels","Nuclear hormone receptors","SLC superfamily of solute carriers","P-type ATPases","Carbonic anhydrases","Ionotropic glutamate
 receptors","1A. Thyroid hormone receptors","SLC12 family of cation-coupled chloride transporters","P2C P-type ATPases",Na<sup>+</sup>/K<sup>+</sup>-ATPases,"2.7.1.40 Pyruvate kinases"}

> <pathway_reactome>
{"Neuronal System","Metabolism of proteins","Vesicle-mediated transport","Cell Cycle","DNA Repair",Disease,"Immune System","Transport of small molecules","Transmission across Chemical Synapses","Post-
translational protein modification","Membrane Trafficking",Mitotic,"DNA Double-Strand Break Repair","Disorders of transmembrane transporters","Infectious disease","Cytokine Signaling in Immune system"
,"O2/CO2 exchange in erythrocytes","Neurotransmitter receptors and postsynaptic signal transmission",SUMOylation,"trans-Golgi Network Vesicle Budding","Asparagine N-linked glycosylation","M Phase","Ho
mology Directed Repair","SLC transporter disorders","SARS-CoV Infections","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Glutamate binding","activation of AMPA r
eceptors and synaptic plasticity","SUMO E3 ligases SUMOylate target proteins","Golgi Associated Vesicle Biogenesis","Transport to the Golgi and subsequent modification","Mitotic Metaphase and Anaphase
","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Defective SLC12A3 causes Gitelman syndrome (GS)","Potential ther
apeutics for SARS","Interleukin-12 family signaling","Trafficking of AMPA receptors","SUMOylation of intracellular receptors","ER to Golgi Anterograde Transport","Mitotic Anaphase","HDR through Homolo
gous Recombination (HRR)","Post NMDA receptor activation events","Interleukin-12 signaling","Trafficking of GluR2-containing AMPA receptors","Cargo concentration in the ER","Nuclear Envelope (NE) Reas
sembly","Homologous DNA Pairing and Strand Exchange","Long-term potentiation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Initiation of Nuclear Envelope (NE) 
Reformation","Presynaptic phase of homologous DNA pairing and strand exchange",Metabolism,"Metabolism of carbohydrates","Glucose metabolism",Glycolysis}

> <broad_targets>
{CA2,GRIA1,GRIA2,GRIA3,GRIA4,SLC12A3}

> <broad_moa>
{"glutamate receptor modulator"}

> <synonyms>
{2259-96-3,2259963,Anhydron,Aquirel,Renazide,Valmiran,Doburil,Fluidil,"Ciclotiazide (DCIT)",Ciclotiazida,Cyclothiazidum,"Ciclotiazida (INN-Spanish)","Ciclotiazida (INNSpanish)","Cyclothiazidum (INN-La
tin)","Cyclothiazidum (INNLatin)","MDi 193",UNII-P71U09G5BW,UNIIP71U09G5BW,CHEMBL61593,P71U09G5BW,Ciclotiaz,T4573,1503263,Cyclothiazide,CYCLOTHIAZIDE}

> <pdid>
PD001015

> <targets>
{}

> <classes>
{diuretic}

> <pubchem_cids>
{2910}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.1937    3.0092    0.0000 O   0  0
   -3.8912    5.2570    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 10 16  1  0
 16 17  1  0
 16 18  2  0
 18  7  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12976

> <plate>
PLATE 026

> <well>
C6

> <supplier_cmpd_name>
Ethacrynic acid

> <ctcr_id>
3094

> <supplier_cmpd_id>
T4564

> <smiles>
CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl

> <pd_targets>
{RECQL,RORC,FFP,PLIN1,GSTP1,GROES,GROL,LMNA,HIF1A,CYP2C9,ABCC2,HSPD1,HSPE1,ALDH1A1,TGR,NPSR1,ABHD5,PLIN5,TSHR,MAPT,LEF,GSTO1,GSTA1,MAP2K6,ATM,GALE,AKR1B1,ALD,HTT,ABCC3,SLC12A1,ATP1A1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Other nuclear protein",Transporter,"Other cytosolic protein","Membrane receptor","Nuclear receptor",Transferase,"Cytochrome P450","Primary active
 transporter",Oxidoreductase,"Family A G protein-coupled receptor",Protease,Kinase,Isomerase,"Electrochemical transporter","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2","ATP-bindin
g cassette","Peptide receptor (family A GPCR)","Metallo protease","Protein Kinase","SLC superfamily of solute carriers","P-type ATPase","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 
family 2C","ABCC subfamily","Short peptide receptor (family A GPCR)","Glycohormone receptor","Metallo protease MAE clan","STE protein kinase group","Atypical protein kinase group","SLC12 family of cat
ion-coupled chloride transporters","Sodium potassium ATPase","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Neuropeptide receptor","Metallo protease M34 family","STE pr
otein kinase STE7 family","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Cytochrome P450","ATP-binding cassette transporter family","G protein-coupled receptors","2.5.1.18 Glutathione transferases","Kinases (EC 2
.7.x.x)","1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","P-type ATPases","1F. Retinoic acid-related orphans","CYP2 family: drug metabolising subset","ABCC subfamily","Neuropeptide S re
ceptor","Glycoprotein hormone receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Atypical,"SLC12 family of cation-coupled chloride transporters","P2C P-type ATPases","STE7
 family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Na<sup>+</sup>/K<sup>+</sup>-ATPases,"Other PIKK family kinases"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Cell Cycle","Cellular responses to external stimuli",Disease,"Neuronal System","Immune System","RNA Polymerase II Transcription","Metabolism of lipids","
Biological oxidations",Mitotic,"Cellular responses to stress","Disorders of transmembrane transporters","Infectious disease","Transmission across Chemical Synapses","Cytokine Signaling in Immune syste
m","Cell Cycle Checkpoints","Diseases of metabolism","Generic Transcription Pathway","Triglyceride metabolism","Phase II - Conjugation of compounds","M Phase","Cellular response to hypoxia","Phase I -
 Functionalization of compounds","ABC transporter disorders","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Uptake and actions of bacterial toxins","Signalin
g by Interleukins","G1/S DNA Damage Checkpoints","Diseases of glycosylation","Metabolism of steroids","SLC transporter disorders","SARS-CoV Infections","Transcriptional regulation by RUNX3","Triglycer
ide catabolism","Glutathione conjugation","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","De
fective ABCC2 causes DJS","Ethanol oxidation","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax toxins","Interleukin-12 f
amily signaling","Transcriptional Regulation by TP53","p53-Dependent G1/S DNA damage checkpoint","Diseases associated with glycosylation precursor biosynthesis","Metabolism of steroid hormones","Trans
criptional Regulation by MECP2","Bile acid and bile salt metabolism","Defective SLC12A1 causes Bartter syndrome 1 (BS1)","Potential therapeutics for SARS","RUNX3 Regulates Immune Response and Cell Mig
ration","Mitotic Anaphase",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Interleukin-12 signaling","Regulation of TP53 Activi
ty","p53-Dependent G1 DNA Damage Response","Defective GALE can cause Epimerase-deficiency galactosemia (EDG)","Pregnenolone biosynthesis","Regulation of MECP2 expression and activity","Recycling of bi
le acids and salts","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Gene and protein expressi
on by JAK-STAT signaling after Interleukin-12 stimulation","Regulation of TP53 Activity through Acetylation","Stabilization of p53","Initiation of Nuclear Envelope (NE) Reformation","PI5P Regulates TP
53 Acetylation","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{ATP1A1,SLC12A1}

> <broad_moa>
{"sodium/potassium/chloride transporter inhibitor"}

> <synonyms>
{"ETHACRYNIC ACID","Etacrynic Acid",58-54-8,58548,ethacrynate,"Etacrinic acid",Edecrin,Hydromedin,Crinuryl,Edecril,Edecrina,Endecril,Hidromedin,Otacril,Taladren,Mingit,Reomax,Uregit,"Etakrinic acid","
Methylenebutyrylphenoxyacetic acid",MK-595,MK595,T4564,SAM002264611,1500287,Prestw-259,"Ethacrynic acid",CPD000058600}

> <pdid>
PD002338

> <targets>
{Calcium Channel,Gutathione S-transferase,NF-ºB}

> <classes>
{diuretic,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,Neuronal Signaling,NF-ºB}

> <pubchem_cids>
{3278}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    9.0363   -6.3478    0.0000 C   0  0
    7.5445   -6.5046    0.0000 C   0  0
    6.7945   -7.8036    0.0000 O   0  0
    5.3273   -7.4917    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.5408   -5.3899    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  2  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12977

> <plate>
PLATE 026

> <well>
C7

> <supplier_cmpd_name>
Isocarboxazid

> <ctcr_id>
1539

> <supplier_cmpd_id>
T4559

> <smiles>
Cc1onc(c1)C(=O)NNCc2ccccc2

> <pd_targets>
{LMNA,CYP1A2,MAOA,MAOB}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Cytochrome P450",Oxidoreductase,"Cytochrome P450 family 1","Cytochrome P450 family 1A","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Catecholamine turnover","CYP1 family"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Mitotic,"Biological oxidations","M Phase","Phase I - Functionalization of compounds","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Amine Oxi
dase reactions","Mitotic Anaphase",Xenobiotics,"Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N
-dealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{MAOA,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{RESTW79,isocarboxazid,59-63-2,59632,Isocarboxazide,Marplan,Isocarbonazid,Benazide,Enerzer,N'-Benzyl-5-methylisoxazole-3-carbohydrazide,N'Benzyl5methylisoxazole3carbohydrazide,Isocarbossazide,Isocarbo
xyzid,Marplon,"Isocarbossazide (DCIT)",Maraplan,"N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide","N'benzyl5methyl1,2oxazole3carbohydrazide",T4559,Prestw-795,Isocarboxazid}

> <pdid>
PD009939

> <targets>
{Monoamine Oxidase}

> <classes>
{Neuronal Signaling}

> <pubchem_cids>
{3759}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 36 39  0  0  1  0            999 V2000
    3.8780   -3.8845    0.0000 C   0  0
    2.4294   -3.4952    0.0000 O   0  0
    2.0479   -2.0470    0.0000 C   0  0  2  0  0  0
    3.1019   -0.9836    0.0000 N   0  0
    4.5551   -1.3587    0.0000 C   0  0
    4.9562   -2.8040    0.0000 O   0  0
    5.6072   -0.2883    0.0000 C   0  0
    7.0709   -0.3092    0.0000 S   0  0
    7.0549    1.1907    0.0000 C   0  0
    5.5550    1.1747    0.0000 S   0  0
    8.0983    2.2610    0.0000 C   0  0
    7.6923    3.7059    0.0000 C   0  0
    6.2387    4.0760    0.0000 N   0  0
    8.7393    4.7800    0.0000 O   0  0
    9.5535    1.8937    0.0000 C   0  0
    9.9622    0.4504    0.0000 O   0  0
   10.5993    2.9689    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.7488   -2.7970    0.0000 C   0  0
    0.3606   -4.2459    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 S   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -5.2447    3.1359    0.0000 N   0  0
   -6.2484    4.2507    0.0000 N   0  0
   -5.4984    5.5497    0.0000 N   0  0
   -4.0312    5.2378    0.0000 N   0  0
   -2.9105    6.2349    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  7  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 11 15  1  0
 15 16  1  0
 15 17  2  0
  3 18  1  0
 18 19  1  6
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 18  1  0
 23 24  1  0
 24  3  1  0
 24 25  2  0
 22 26  1  0
 26 27  1  0
 26 28  2  0
 21 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 31  1  0
 35 36  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12978

> <plate>
PLATE 026

> <well>
C8

> <supplier_cmpd_name>
Cefotetan

> <ctcr_id>
6749

> <supplier_cmpd_id>
T7043

> <smiles>
CO[C@]1(NC(=O)C2S\C(S2)=C(\C(N)=O)C(O)=O)[C@H]3SCC(=C(N3C1=O)C(O)=O)CSc4nnnn4C

> <pd_targets>
{APOBEC3G,APOBEC3A,TGR,L3MBTL1,AMPC,ABCC3,PBP3,DACA,DACB,DACC,FTSI,MRCA,MRCB,MRDA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transporter,Hydrolase,Reader,"Primary active transporter",Protease,"Methyl-lysine/arginine binding protein","ATP-binding cassette","Serine protease","MBT domain","ABCC s
ubfamily","Serine protease SE clan","Serine protease S11 family"}

> <pathway_chembl>
{Transporters,"ATP-binding cassette transporter family","ABCC subfamily"}

> <pathway_reactome>
{Disease,"Metabolism of RNA","Gene expression (Transcription)",Metabolism,"Infectious disease","mRNA Editing","RNA Polymerase II Transcription","Metabolism of lipids","HIV Infection","mRNA Editing: C 
to U Conversion","Generic Transcription Pathway","Metabolism of steroids","Host Interactions of HIV factors","Formation of the Editosome","Transcriptional Regulation by TP53","Bile acid and bile salt 
metabolism","APOBEC3G mediated resistance to HIV-1 infection","Regulation of TP53 Activity","Recycling of bile acids and salts","Regulation of TP53 Activity through Methylation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{cefotetan,69712-56-7,69712567,Cefotetanum,Cefotan,"Cefotetanum (INN-Latin)","Cefotetanum (INNLatin)","ICI 156834",ICI-156834,ICI156834,"ICI 156,834",MLS002153829,CHEBI:3499,"YM 09330",SMR001233197,"C
efotetan, 95-103","Cefotetan, 95103","Cefotetan Acid","Cefotetan free acid",C17H17N7O8S4,UNII-48SPP0PA9Q,UNII48SPP0PA9Q,Cef,T7043,Prestw-473,Cefotetan}

> <pdid>
PD001123

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{53025}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 21 24  0  0  1  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.3452   -0.0183    0.0000 O   0  0
    4.8823   -2.5608    0.0000 C   0  0  2  0  0  0
    6.3506   -2.2538    0.0000 C   0  0
    7.3506   -3.3718    0.0000 C   0  0
    6.8824   -4.7969    0.0000 C   0  0
    7.6280   -6.0975    0.0000 N   0  0
    6.6207   -7.2089    0.0000 C   0  0
    5.2523   -6.5943    0.0000 N   0  0
    5.4142   -5.1039    0.0000 C   0  0
    4.4142   -3.9859    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  7  5  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 10  2  0
 14 15  1  0
 15  7  1  0
  4 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  2  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12979

> <plate>
PLATE 026

> <well>
C9

> <supplier_cmpd_name>
Ramosetron

> <ctcr_id>
11392

> <supplier_cmpd_id>
T4562

> <smiles>
Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12

> <pd_targets>
{HTR3A,HTR3B,HTR3C,HTR3D,HTR3E}

> <pathway_gtopdb>
{"Ion channel","Ligand-gated ion channel","5HT3 receptor"}

> <pathway_chembl>
{"Ion channels","Ligand-gated ion channels","5-HT<sub>3</sub> receptors"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission"}

> <broad_targets>
{HTR3A}

> <broad_moa>
{"serotonin receptor antagonist"}

> <synonyms>
{Ramosetron,132036-88-5,132036885,UNII-7ZRO0SC54Y,UNII7ZRO0SC54Y,"Ramosetron (INN)",7ZRO0SC54Y,CHEMBL1643895,"Nor-YM 060","NorYM 060",SCHEMBL16701,GTPL2301,DTXSID0043842,CHEBI:135156,ZINC5116719,8235A
H,BDBM50334454,AKOS015896003,DB09290,SB19072,R-146,R146,D08466,A806353,AR-270/43507766,AR270/43507766,T4562}

> <pdid>
PD009272

> <targets>
{5-HT3}

> <classes>
{Neuroscience}

> <pubchem_cids>
{108000}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 28 27  0  0  0  0            999 V2000
    7.5987    3.0007    0.0000 Na  0  3
    5.0987    3.0007    0.0000 Na  0  3
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3032   -3.7490    0.0000 O   0  0
    1.2947   -3.7531    0.0000 O   0  5
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -9.0967    3.7462    0.0000 C   0  0
  -10.3971    2.9985    0.0000 O   0  0
   -9.0947    5.2471    0.0000 N   0  0
  -10.3929    6.0001    0.0000 C   0  0
  -10.3908    7.5009    0.0000 C   0  0
  -11.6890    8.2540    0.0000 C   0  0
  -11.6869    9.7540    0.0000 O   0  0
  -12.9893    7.5062    0.0000 O   0  5
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  7 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
M  CHG  4   1   1   2   1  12  -1  28  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12980

> <plate>
PLATE 026

> <well>
C10

> <supplier_cmpd_name>
Balsalazide disodium salt dihydrate

> <ctcr_id>
1921

> <supplier_cmpd_id>
T4615

> <smiles>
[Na+].[Na+].Oc1ccc(cc1C(=O)[O-])\N=N\c2ccc(cc2)C(=O)NCCC(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW73,"Balsalazide Disodium",Colazal,213594-60-6,213594606,"Balsalazide sodium",82101-18-6,82101186,Colazide,BX-661A,BX661A,Balsalazidedisodium,UNII-15ASW03C9S,UNII15ASW03C9S,15ASW03C9S,"Balsalazid
e disodium salt hydrate","Balsalazide Disodium Salt",balsalazine,"BX 661A",Balzide,Giaz,T4615,Prestw-730,"Balsalazide disodium salt dihydrate","Balsalazide Sodium"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{135413496}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 36  0  0  1  0            999 V2000
    2.5981    0.0000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0  1  0  0  0
    3.8971   -3.7500    0.0000 C   0  0  2  0  0  0
    4.2297   -5.2071    0.0000 C   0  0
    5.7224   -5.3544    0.0000 C   0  0
    6.3238   -3.9802    0.0000 C   0  0  2  0  0  0
    6.6067   -3.0210    0.0000 O   0  0
    7.3153   -5.0895    0.0000 C   0  0
    8.7787   -4.7600    0.0000 O   0  0
    6.8692   -6.5225    0.0000 C   0  0
    7.8864   -7.6260    0.0000 O   0  0
    7.4403   -9.0589    0.0000 C   0  0
    5.9769   -9.3884    0.0000 O   0  0
    8.4575  -10.1624    0.0000 C   0  0
    8.0114  -11.5954    0.0000 C   0  0
    9.0286  -12.6989    0.0000 C   0  0
   10.4920  -12.3694    0.0000 O   0  0
    8.5827  -14.1311    0.0000 O   0  0
    5.1962   -3.0000    0.0000 C   0  0  2  0  0  0
    6.1061   -2.5853    0.0000 C   0  0
    5.1962   -1.5000    0.0000 C   0  0
    3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
    3.8971    0.7500    0.0000 O   0  0
    2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  2  1  0
  8  9  1  0
  9 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 15 28  1  0
 28 12  1  0
 28 29  1  1
 28 30  1  0
 30 31  1  0
 31 32  1  1
 33 31  1  1
 33  2  1  0
 33 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12981

> <plate>
PLATE 026

> <well>
C11

> <supplier_cmpd_name>
Hydrocortisone 21-hemisuccinate

> <ctcr_id>
7022

> <supplier_cmpd_id>
T4602

> <smiles>
C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]4(C)C[C@H](O)[C@H]23

> <pd_targets>
{HIF1A,AMPC,PMP22,RORC,NR3C1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein",Hydrolase,"Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1 g
roup F","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Developmental Biology","Gene expression (Transcription)","Cellular responses to stress","Nervous system development","RNA Polymerase II Transcription","Cellu
lar response to hypoxia","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Generic Transcription Pathway","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Tr
anscriptional regulation by RUNX3","FOXO-mediated transcription","RUNX3 Regulates Immune Response and Cell Migration","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"hydrocortisone hemisuccinate","Hydrocortisone succinate","Cortisol succinate","Hydrocortisone 21-hemisuccinate","Hydrocortisone 21hemisuccinate",2203-97-6,2203976,"Cortisol hemisuccinate","Cortisol 
21-hemisuccinate","Cortisol 21hemisuccinate",Solu-Cortef,SoluCortef,"Hydrocortisone hydrogen succinate",CHEBI:31677,UNII-I,UNIII,SAM002564213,CPD000058328}

> <pdid>
PD002302

> <targets>
{Glucocorticoid Receptor,Interleukin Related}

> <classes>
{GPCR/G Protein,Immunology/Inflammation}

> <pubchem_cids>
{16623}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
    2.5175   -4.4368    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    0.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
   -0.7338   -4.0650    0.0000 C   0  0
   -0.2910   -5.4982    0.0000 O   0  0
   -2.1972   -3.7322    0.0000 C   0  0
   -3.2173   -4.8319    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  6
 14 16  1  0
 16  5  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 21  4  1  0
 21 22  1  6
 21 23  1  0
 23  2  1  0
 23 24  1  6
 24 25  2  0
 24 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12982

> <plate>
PLATE 026

> <well>
D2

> <supplier_cmpd_name>
Desoximetasone

> <ctcr_id>
6010

> <supplier_cmpd_id>
T4572

> <smiles>
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO

> <pd_targets>
{PGR,HIF1A,NR3C1,LMNA,ABCB11,NR1I2}

> <pathway_gtopdb>
{"Transcription factor","Other nuclear protein",Transporter,"Nuclear receptor","Primary active transporter","Nuclear hormone receptor subfamily 3","ATP-binding cassette","Nuclear hormone receptor subf
amily 1","Nuclear hormone receptor subfamily 3 group C","ABCB subfamily","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone recepto
r subfamily 3 group C member 1","Nuclear hormone receptor subfamily 1 group I member 2"}

> <pathway_chembl>
{Receptors,Transporters,"Nuclear hormone receptors","ATP-binding cassette transporter family","Steroid hormone receptors","ABCB subfamily","1I. Vitamin D receptor-like receptors","3C. 3-Ketosteroid re
ceptors"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Gene expression (Transcription)","Cell Cycle",Metabolism,"Metabolism of proteins","Cellular responses to stress","RNA Polymerase II Transcription",Mitotic,"M
etabolism of lipids","Post-translational protein modification","Cellular response to hypoxia","Generic Transcription Pathway","M Phase","Metabolism of steroids",SUMOylation,"Oxygen-dependent proline h
ydroxylation of Hypoxia-inducible Factor Alpha","FOXO-mediated transcription","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism","SUMO E3 ligases SUMOylate target proteins","FOXO-me
diated transcription of oxidative stress","metabolic and neuronal genes","Mitotic Anaphase","Synthesis of bile acids and bile salts","SUMOylation of intracellular receptors","Nuclear Envelope (NE) Rea
ssembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{NR3C1,PLA2G1B}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{desoximetasone,382-67-2,382672,Desoxymethasone,Desoximetasona,Desoximetasonum,Topicort,"Topicort LP",Desoxymetasone,17-Deoxydexamethasone,17Deoxydexamethasone,HOE-304,HOE304,UNII-4E07GXB7AU,UNII4E07G
XB7AU,Deoxymethasone,Topisolon,A-41-304,A41304,"HOE 304",CHEBI:691037,R-2113,R2113,4E07GXB7AU,9-Fluoro-11,9Fluoro11,T4572,SAM001246885,Desoximetasone,CPD000058856}

> <pdid>
PD000315

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5311067}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -5.2496    3.1278    0.0000 C   0  0
   -6.2556    4.2405    0.0000 C   0  0
   -5.5083    5.5410    0.0000 N   0  0
   -4.0404    5.2322    0.0000 N   0  0
   -2.9213    6.2320    0.0000 C   0  0
   -1.4690    5.8779    0.0000 C   0  0
   -0.4333    6.9630    0.0000 C   0  0
   -0.8551    8.4024    0.0000 C   0  0
   -2.3127    8.7569    0.0000 C   0  0
   -3.3484    7.6719    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12983

> <plate>
PLATE 026

> <well>
D3

> <supplier_cmpd_name>
Sulfaphenazole

> <ctcr_id>
253

> <supplier_cmpd_id>
T4567

> <smiles>
Nc1ccc(cc1)[S](=O)(=O)Nc2ccnn2c3ccccc3

> <pd_targets>
{CYP2C9,HSD17B10,CYP3A4,LMNA,TSHR,NPSR1,CYP2C18,NFKB1,CHRM1,THPO,POLB,FOLP}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor","Other cytosolic protein","Unclassified protein","Cytochrome P450",Oxidoreductase,"Family A G protein-coupled receptor",Transferase,"Cytochrome P450
 family 2","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Glycohormone receptor","Shor
t peptide receptor (family A GPCR)","Monoamine receptor","Cytochrome P450 2C9","Cytochrome P450 3A4","Neuropeptide receptor","Cytochrome P450 2C18","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP3 family","Glycoprotein hormone receptors","Neuropeptide S receptor","Acetylcholine recep
tors (muscarinic)"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Immune System","Signal Transduction",Hemostasis,"DNA Repair","Biological oxidations","Metabolism of amino acids and derivatives","Metabolism of lipids",Mitotic,"Infec
tious disease","Cytokine Signaling in Immune system","Signaling by GPCR","Platelet activation","signaling and aggregation","Base Excision Repair","Phase I - Functionalization of compounds","Branched-c
hain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Leishmania infection","Signaling by Interleukins","GPCR ligand binding","Platelet Aggregation (Plug F
ormation)","Resolution of Abasic Sites (AP sites)","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Leishmania parasite growth and su
rvival","Interleukin-1 family signaling","Class A/1 (Rhodopsin-like receptors)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway",Xenobiotics,"Biosynthesis of maresins","M
itotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Interleukin-1 signaling","Amine ligand-binding receptors","PCNA-Dependent Long Patch Base Excision Repair","CYP2E
1 reactions","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic a
cetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{DHPS}

> <broad_moa>
{"dihydropteroate synthetase inhibitor"}

> <synonyms>
{sulfaphenazole,526-08-9,526089,Sulphaphenazole,Sulfabid,Plisulfan,Raziosulfa,Sulfaphenazol,Sulfaphenazon,Depocid,4-Amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide,4AminoN(1phenyl1Hpyrazol5yl)ben
zenesulfonamide,Depotsulfonamide,Sulfafenazol,Sulphenazole,Sulfaphenylpyrazole,Sulfaphenylpipaz,T4567,1501143,Prestw-21,Sulfaphenazole,SULFAPHENAZOLE}

> <pdid>
PD001500

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5335}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 Br  0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 Br  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12984

> <plate>
PLATE 026

> <well>
D4

> <supplier_cmpd_name>
Pipobroman

> <ctcr_id>
668

> <supplier_cmpd_id>
T4570

> <smiles>
BrCCC(=O)N1CCN(CC1)C(=O)CCBr

> <pd_targets>
{HSD17B10,KDM4E,LMNA,HPGD,ALDH1A1,KMT2A,MEN1,TDP1,CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other nuclear protein",Oxidoreductase,Eraser,Protease,Reader,Hydrolase,"Cytochrome P450","Lysine demethylase","Cysteine protease",Bromodomain,"Cytochrome P450 family 3"
,"Jumonji domain-containing","Cysteine protease CA clan","Cytochrome P450 family 3A","Cysteine protease C1A family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Eicosanoid turnover","Cytochrome P450","1.14.11.- Histone demethylases","Prostaglandin synthases","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","DNA Repair","Metabolism of amino acids and derivatives",Mitotic,"Metabolism of lipids","Biological oxidations","DNA Double-Strand Break Repair","Branched-chain amino acid cat
abolism","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Nonhomologous End-Joining (NHEJ)","Mitotic Metaphase and Anaphase","Biosynthe
sis of DHA-derived SPMs","Ethanol oxidation","Mitotic Anaphase","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","
Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA alkylating agent"}

> <synonyms>
{pipobroman,54-91-1,54911,Vercyte,Amedel,"1,1'-(Piperazine-1,4-diyl)bis(3-bromopropan-1-one)","1,1'(Piperazine1,4diyl)bis(3bromopropan1one)",Pipobromanum,"1,4-Bis(3-bromopropionyl)piperazine","1,4Bis(
3bromopropionyl)piperazine",A-8103,A8103,"Piperazine, 1,4-bis(3-bromo-1-oxopropyl)-","Piperazine, 1,4bis(3bromo1oxopropyl)","N,N-Bis-(3-bromopropionyl)-piperazine","N,NBis(3bromopropionyl)piperazine",
NSC-25154,NSC25154,"A 18",T4570,25154,1503393,"NSC 25154",Pipobroman,PIPOBROMAN}

> <pdid>
PD000989

> <targets>
{DNA Alkylator/Crosslinker}

> <classes>
{antineoplastic,alkylating agent,Alkylating agent,Cell Cycle/DNA Damage}

> <pubchem_cids>
{4842}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 59 62  0  0  1  0            999 V2000
   24.1810   -5.2729    0.0000 Ca  0  2
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0  2  0  0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 S   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    5.1873   -7.5117    0.0000 N   0  0
    3.9707   -8.3673    0.0000 C   0  0
    4.4293   -9.7955    0.0000 C   0  0  2  0  0  0
    5.9293   -9.8007    0.0000 C   0  0
    6.3978   -8.3758    0.0000 C   0  0  1  0  0  0
    7.8197   -7.9039    0.0000 C   0  0
    8.9404   -8.9008    0.0000 O   0  5
    8.1232   -6.4349    0.0000 O   0  0
    3.5419  -11.0027    0.0000 S   0  0
    2.0501  -10.8385    0.0000 C   0  0
    1.1600  -12.0459    0.0000 C   0  0
   -0.3307  -11.8787    0.0000 C   0  0
   -0.9313  -10.5042    0.0000 C   0  0
   -0.0412   -9.2968    0.0000 C   0  0
    1.4495   -9.4640    0.0000 C   0  0
   15.3309   -6.0056    0.0000 C   0  0
   16.6312   -5.2578    0.0000 C   0  0  2  0  0  0
   16.6334   -3.7570    0.0000 C   0  0
   15.3351   -3.0039    0.0000 S   0  0
   15.3373   -1.5031    0.0000 C   0  0
   16.6376   -0.7553    0.0000 O   0  0
   14.0391   -0.7500    0.0000 C   0  0
   14.0391    0.7500    0.0000 C   0  0
   12.7400    1.5000    0.0000 C   0  0
   11.4410    0.7500    0.0000 C   0  0
   11.4410   -0.7500    0.0000 C   0  0
   12.7400   -1.5000    0.0000 C   0  0
   17.9294   -6.0109    0.0000 C   0  0
   19.2298   -5.2632    0.0000 O   0  0
   17.9273   -7.5117    0.0000 N   0  0
   16.7108   -8.3673    0.0000 C   0  0
   17.1693   -9.7955    0.0000 C   0  0  2  0  0  0
   18.6693   -9.8007    0.0000 C   0  0
   19.1378   -8.3758    0.0000 C   0  0  1  0  0  0
   20.5597   -7.9039    0.0000 C   0  0
   21.6805   -8.9008    0.0000 O   0  5
   20.8633   -6.4349    0.0000 O   0  0
   16.2820  -11.0027    0.0000 S   0  0
   14.7902  -10.8385    0.0000 C   0  0
   13.9000  -12.0459    0.0000 C   0  0
   12.4093  -11.8787    0.0000 C   0  0
   11.8088  -10.5042    0.0000 C   0  0
   12.6988   -9.2968    0.0000 C   0  0
   14.1895   -9.4640    0.0000 C   0  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  3 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 16  1  0
 20 21  1  6
 21 22  1  0
 21 23  2  0
 18 24  1  6
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 32 31  1  6
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 37  1  0
 32 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 45  1  0
 49 50  1  6
 50 51  1  0
 50 52  2  0
 47 53  1  6
 53 54  1  0
 54 55  2  0
 55 56  1  0
 56 57  2  0
 57 58  1  0
 58 59  2  0
 59 54  1  0
M  CHG  3   1   2  22  -1  51  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12985

> <plate>
PLATE 026

> <well>
D5

> <supplier_cmpd_name>
Zofenopril (calcium)

> <ctcr_id>
11393

> <supplier_cmpd_id>
T5030

> <smiles>
[Ca++].C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1.C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ZOFENOPRIL CALCIUM",81938-43-4,81938434,Zoprace,UNII-88ZQ329PU2,UNII88ZQ329PU2,"Zofenopril calcium (USAN)","SQ 26991","Zofenopril Calcium Salt",CHEBI:82600,"81938-43-4 (calcium)","81938434 (calcium)
",88ZQ329PU2,"Zoprace (TN)",SQ-26991,SQ26991,NCGC00182038-01,NCGC0018203801,DSSTox_CID_28551,DSSToxCID28551,DSSTox-CID-28551,"DSSTox CID 28551",DSSTox_R,DSSToxR,DSSTox-R,"DSSTox R",T5030,"Zofenopril (
calcium)"}

> <pdid>

> <targets>
{ACE,Angiotensin-converting Enzyme (ACE),Reactive Oxygen Species}

> <classes>
{Endocrinology/Hormones,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{3033690}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 33 34  0  0  0  0            999 V2000
   11.5915   -5.2562    0.0000 Cl  0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    7.7928   -3.0094    0.0000 O   0  0
    9.0908   -3.7613    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    2.5952   -6.0101    0.0000 N   0  0
    2.5973   -7.5109    0.0000 C   0  0
    3.8977   -8.2587    0.0000 O   0  0
    1.2991   -8.2640    0.0000 C   0  0
    1.2991   -9.7641    0.0000 C   0  0
    0.0001  -10.5141    0.0000 C   0  0
   -1.2990   -9.7642    0.0000 C   0  0
   -1.2990   -8.2642    0.0000 C   0  0
    0.0000   -7.5141    0.0000 C   0  0
   -2.6003  -10.5120    0.0000 C   0  0
   -2.6028  -12.0119    0.0000 N   0  0
   -3.8990   -9.7597    0.0000 N   0  0
   -5.1995  -10.5071    0.0000 C   0  0
   -3.8964   -8.2597    0.0000 C   0  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
  3 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  2  0
 17 18  1  0
 18 19  2  0
 19 12  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 26 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12986

> <plate>
PLATE 026

> <well>
D6

> <supplier_cmpd_name>
Betrixaban hydrochloride(330942-05-7(free base))

> <ctcr_id>
11394

> <supplier_cmpd_id>
T4690

> <smiles>
Cl.O=C(Nc1ccc(Cl)cn1)c3cc(OC)ccc3NC(=O)c2ccc(cc2)C(=N)N(C)C

> <pd_targets>
{KCNH2,F10,F2}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Voltage-gated ion channel",Protease,"Potassium channels","Serine protease","Voltage-gated potassium channel","Serine protease PA clan","Serine protease S1A subfamily"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","Peptidases and proteinases","Potassium channels","PA: Serine (S) Peptidases","Voltage-gated potassium channels","S1: Chymotrypsin"}

> <pathway_reactome>
{"Muscle contraction",Disease,"Cardiac conduction","Diseases of hemostasis","Phase 3 - rapid repolarisation","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Defective f
actor IX causes hemophilia B","Defective factor VIII causes hemophilia A","Defective F9 variant does not activate FX","Defective F8 cleavage by thrombin"}

> <broad_targets>
{KCNH2}

> <broad_moa>
{"coagulation factor inhibitor"}

> <synonyms>
{"Betrixaban hydrochloride",2099719-47-6,2099719476,T4690,"Betrixaban hydrochloride(330942-05-7(free base))"}

> <pdid>
PD056999

> <targets>
{"Factor Xa"}

> <classes>
{Metabolism}

> <pubchem_cids>
{16717958}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    9.0946   -5.2463    0.0000 O   0  0
    9.0967   -3.7463    0.0000 C   0  0
   10.3971   -2.9985    0.0000 O   0  0
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.4469   -5.2298    0.0000 C   0  0
   -2.9152   -5.5365    0.0000 C   0  0
   -3.6607   -4.2349    0.0000 C   0  0
   -2.6531   -3.1237    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5627    0.0004    0.0000 C   0  0
   -3.8792    2.2803    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2810    2.2196    0.0000 C   0  0
   -0.0353    4.4996    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 19  1  0
 15 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 14  1  0
 29 30  1  0
 29 31  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12987

> <plate>
PLATE 026

> <well>
D7

> <supplier_cmpd_name>
palovarotene

> <ctcr_id>
11395

> <supplier_cmpd_id>
T4538

> <smiles>
O=C(O)c1ccc(cc1)/C=C/c3cc4c(cc3Cn2cccn2)C(C)(C)CCC4(C)C

> <pd_targets>
{RARG}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group B","Nuclear hormone receptor subfamily 1 group B member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1B. Retinoic acid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Nuclear Receptor transcription pathway"}

> <broad_targets>
{RARG}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{"Palovarotene (USAN:INN)",Palovarotene,410528-02-8,410528028,R-667,R667,RO-3300074,RO3300074,UNII-28K6I5M16G,UNII28K6I5M16G,"R 667",RG-667,RG667,28K6I5M16G,"Ro 3300074","Palovarotene(R 667)","Palovar
otene (USAN/INN)",GTPL8276,SCHEMBL4658931,"Clementia (proposed trade name)",CHE,T4538,palovarotene}

> <pdid>
PD051251

> <targets>
{RAR¦Ã,Autophagy,RAR/RXR}

> <classes>
{Metabolism,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{10295295}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 25 26  0  0  1  0            999 V2000
    7.7052    2.4566    0.0000 Na  0  3
    0.1194   -2.3933    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    2.2393   -0.8534    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0  2  0  0  0
   -0.8796    2.4866    0.0000 C   0  0  2  0  0  0
   -0.6422    3.9624    0.0000 N   0  0
    0.7599    4.4978    0.0000 C   0  0
    1.9236    3.5514    0.0000 O   0  0
    0.9982    5.9795    0.0000 C   0  0  2  0  0  0
   -0.1656    6.9259    0.0000 N   0  0
    2.4003    6.5149    0.0000 C   0  0
    2.6407    7.9956    0.0000 C   0  0
    4.0431    8.5278    0.0000 C   0  0
    5.2052    7.5794    0.0000 C   0  0
    4.9649    6.0988    0.0000 C   0  0
    3.5625    5.5665    0.0000 C   0  0
   -2.0931    1.6049    0.0000 C   0  0
   -3.5746    1.8395    0.0000 O   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 O   0  5
   -3.1247   -2.0836    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
  7 19  1  0
 19 20  2  0
 19 21  1  0
 21  6  1  0
 21 22  1  0
 22  3  1  0
 22 23  1  6
 23 24  1  0
 23 25  2  0
M  CHG  2   1   1  24  -1
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12988

> <plate>
PLATE 026

> <well>
D8

> <supplier_cmpd_name>
Ampicillin sodium

> <ctcr_id>
4740

> <supplier_cmpd_id>
T6386

> <smiles>
[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{200-708-1,2007081,69-52-3,69523,"Ampicillin sodium","Ampicillin sodium salt","Sodium ampicillin","Ampicillin natrium","Ampicillin (sodium)",UNII-JFN36L5S8K,UNIIJFN36L5S8K,Austrapen,Polycillin-N,Polyc
illinN,"Sodium D-(-)-alpha-aminobenzylpenicillin","Sodium D()alphaaminobenzylpenicillin",Totacillin-N,TotacillinN,Penbritin-S,PenbritinS,Om,T6386,1500123,"AMPICILLIN SODIUM"}

> <pdid>

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{23663979,101603128}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 10  9  0  0  1  0            999 V2000
    5.2000   -1.5000    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0  2  0  0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 N   0  0
    0.0007    0.0004    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7992    0.0004    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  2  8  1  0
  8  9  1  0
  8 10  2  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12989

> <plate>
PLATE 026

> <well>
D9

> <supplier_cmpd_name>
D-glutamine

> <ctcr_id>
1642

> <supplier_cmpd_id>
T6468

> <smiles>
N[C@H](CCC(N)=O)C(O)=O

> <pd_targets>
{PMP22,BLM,ALOX15,SLC1A5,GPRC6A,CTPS1,PPAT,HIF1A,CYP3A4,TSHR,LMNA}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,Transporter,"Membrane receptor",Oxidoreductase,"Family C G protein-coupled receptor",Transferase,"Transcription factor","Other nuclear protein","Cytochrome P450","Family
 A G protein-coupled receptor","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Glycohormone receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","G protein-coupled receptors","Peptidases and proteinases",Lipoxygenases,"Orphan and other 7TM receptors","PB: Threonine (T) Peptidases","Class C Orphans","C44
: Phosphoribosyl pyrophosphate amidotransferase","Cytochrome P450","CYP3 family","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Developmental Biology","DNA Repair",Metabolism,"Signal Transduction","Nervous system development","DNA Double-Strand Break Repair","Metabolism of lipids","Signaling by GPCR","Metabolism of nucleotid
es","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Interconversio
n of nucleotide di- and triphosphates","Nucleobase biosynthesis","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DPA-derived SPMs","G alpha (q) signallin
g events","Purine ribonucleoside monophosphate biosynthesis","HDR through Homologous Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Homologous DNA Pairing and Strand Exchange","Biosynthesis of DP
An-3-derived protectins and resolvins","Presynaptic phase of homologous DNA pairing and strand exchange","Cellular responses to external stimuli",Disease,"Cell Cycle","Cellular responses to stress","I
nfectious disease",Mitotic,"Cellular response to hypoxia","Leishmania infection","M Phase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs"
,"Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Biosynth
esis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CTPS1,GLUL,GPRC6A,PPAT}

> <broad_moa>
{}

> <synonyms>
{D-glutamine,Dglutamine,5959-95-5,5959955,H-D-Gln-OH,HDGlnOH,"D-2-Aminoglutaramic acid","D2Aminoglutaramic acid","(R)-2,5-diamino-5-oxopentanoic acid","(R)2,5diamino5oxopentanoic acid",L(+)-Glutamine,
L(+)Glutamine,"(2R)-2-amino-4-carbamoylbutanoic acid","(2R)2amino4carbamoylbutanoic acid","D-Glutamic acid 5-amide","DGlutamic acid 5amide",UNII-63HB36CA2Y,UNII63HB36CA2Y,D-Gln,DGln,"(2R)-2,5-diamino-
5-oxopentanoic acid","(2R)2,5diamino5oxopentanoic acid",T0326,T0326L,T6468,1500987,DL-Glutamine,L-Glutamine,"GLUTAMINE (D)"}

> <pdid>
PD001524

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{145815,6992096}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 46 49  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 S   0  0
    3.8993    0.7496    0.0000 O   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.8989   -0.7502    0.0000 O   0  0
   13.5383   -9.6970    0.0000 C   0  0
   14.5460   -8.5859    0.0000 N   0  0
   16.0121   -8.9030    0.0000 C   0  0
   17.0198   -7.7920    0.0000 C   0  0
   16.5615   -6.3637    0.0000 N   0  0
   15.0953   -6.0465    0.0000 C   0  0
   14.0876   -7.1576    0.0000 C   0  0
   17.5675   -5.2499    0.0000 C   0  0
   17.1069   -3.8215    0.0000 C   0  0
   15.6403   -3.5069    0.0000 O   0  0
   18.1129   -2.7078    0.0000 N   0  0
   19.5795   -3.0224    0.0000 C   0  0
   17.6523   -1.2794    0.0000 C   0  0
   18.6561   -0.1648    0.0000 C   0  0
   18.1928    1.2619    0.0000 C   0  0
   16.7256    1.5740    0.0000 C   0  0
   15.7218    0.4594    0.0000 C   0  0
   16.1851   -0.9673    0.0000 C   0  0
   16.2592    3.0005    0.0000 N   0  0
   14.7908    3.3107    0.0000 C   0  0
   14.3251    4.7348    0.0000 C   0  0
   12.8993    5.1983    0.0000 C   0  0
   12.8993    6.6983    0.0000 C   0  0
   11.6003    7.4483    0.0000 C   0  0
   10.3013    6.6983    0.0000 C   0  0
   10.3013    5.1983    0.0000 C   0  0
   11.6003    4.4483    0.0000 C   0  0
    8.9999    7.4460    0.0000 C   0  0
    8.9973    8.9460    0.0000 O   0  0
    7.7013    6.6938    0.0000 O   0  0
    6.4007    7.4411    0.0000 C   0  0
   14.3251    7.1618    0.0000 N   0  0
   15.2067    5.9483    0.0000 C   0  0
   16.7067    5.9483    0.0000 O   0  0
   13.7883    2.1939    0.0000 C   0  0
   12.3201    2.5014    0.0000 C   0  0
   11.3197    1.3837    0.0000 C   0  0
   11.7874   -0.0415    0.0000 C   0  0
   13.2555   -0.3491    0.0000 C   0  0
   14.2559    0.7686    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 19  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 32  1  0
 32 33  2  3
 33 28  1  0
 31 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 29 38  1  0
 38 39  1  0
 39 27  1  0
 39 40  2  0
 26 41  1  0
 41 42  2  3
 42 43  1  0
 43 44  2  3
 44 45  1  0
 45 46  2  3
 46 41  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12990

> <plate>
PLATE 026

> <well>
D10

> <supplier_cmpd_name>
Nintedanib Ethanesulfonate Salt

> <ctcr_id>
11396

> <supplier_cmpd_id>
T5001

> <smiles>
CCS(=O)(=O)O.CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N/C(=C\3/C4=C(C=C(C=C4)C(=O)OC)NC3=O)/C5=CC=CC=C5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{FGFR1,FGFR2,FGFR3,FGFR4,FLT1,FLT4,KDR,PDGFRA,PDGFRB}

> <broad_moa>
{"FGFR inhibitor","PDGFR tyrosine kinase receptor inhibitor","VEGFR inhibitor"}

> <synonyms>
{"Nintedanib esylate",656247-18-6,656247186,"BIBF 1120 esylate","Nintedanib Ethanesulfonate Salt","Nintedanib ethanesulfonate",UNII-42F62RTZ4G,UNII42F62RTZ4G,"656247-18-6 (esylate)","656247186 (esylat
e)",OFEV,42F62RTZ4G,CHEBI:85170,"BIBF 1120 (esylate)","Nintedanib Esilate",SCHEMBL,T5001}

> <pdid>
PD003643

> <targets>
{VEGFR,FGFR,PDGFR,VEGFR1/2/3,FGFR1/2/3,PDGFR¦Á/¦Â}

> <classes>
{"Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{135476717}

$$$$
TargetMol_L1000_Approved Drug Library
  SciTegic11012413002D

 11  9  0  0  0  0            999 V2000
   11.5999    0.3750    0.0000 Cl  0  0
    2.6000   -1.5000    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 O   0  0
    9.0992    0.7496    0.0000 C   0  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
M  END
> <name>
TargetMol_L1000_Approved Drug Library

> <id>
12991

> <plate>
PLATE 026

> <well>
D11

> <supplier_cmpd_name>
Methyl Aminolevulinate Hydrochloride

> <ctcr_id>
11397

> <supplier_cmpd_id>
T5002

> <smiles>
Cl.O=C(CN)CCC(=O)OC

> <pd_targets>
{KDM4E,AMPC,LMNA}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other nuclear protein",Eraser,Hydrolase,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{FCGR1A,FECH}

> <broad_moa>
{"oxidizing agent"}

> <synonyms>
{941627,79416-27-6,79416276,"Methyl 5-amino-4-oxopentanoate hydrochloride","Methyl 5amino4oxopentanoate hydrochloride","5-AMINOLEVULINIC ACID METHYL ESTER HYDROCHLORIDE","5AMINOLEVULINIC ACID METHYL E
STER HYDROCHLORIDE","Methyl aminolevulinate hydrochloride","Methyl 5-Aminolevulinate Hydrochloride","Methyl 5Aminolevulinate Hydrochloride","Methyl aminolevulinate HCl","Methyl aminolevulinate (h",T50
02,"Methyl Aminolevulinate Hydrochloride"}

> <pdid>
PD009602

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{157921}

$$$$
